diff --git a/.gitattributes b/.gitattributes index bed0738c7eeb449bca98b5d2f33c89a1ee56349a..ed77970390e79c7c8c8d3cefdc3d52d05c1b9443 100644 --- a/.gitattributes +++ b/.gitattributes @@ -58,3 +58,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text # Video files - compressed *.mp4 filter=lfs diff=lfs merge=lfs -text *.webm filter=lfs diff=lfs merge=lfs -text +benchmarks/FoldBench/evaluation/DockQv2/operations.cp310-win_amd64.pyd filter=lfs diff=lfs merge=lfs -text diff --git a/benchmarks/FoldBench/.gitignore b/benchmarks/FoldBench/.gitignore new file mode 100644 index 0000000000000000000000000000000000000000..359ab8368801e02e74e612d69feb09005a642e92 --- /dev/null +++ b/benchmarks/FoldBench/.gitignore @@ -0,0 +1,9 @@ +*.pyc +__pycache__/ +*.sif +*.ninja_deps +*.ninja +*.ninja_deps +*.ninja_deps.d +*.ninja_deps.d.tmp +*.ninja_deps.d.tmp.d diff --git a/benchmarks/FoldBench/LICENSE b/benchmarks/FoldBench/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..fe65e5c2b011f1ae932fa6d303a6d6abc958b803 --- /dev/null +++ b/benchmarks/FoldBench/LICENSE @@ -0,0 +1,21 @@ +MIT License + +Copyright (c) 2025 FoldBench Contributors + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. \ No newline at end of file diff --git a/benchmarks/FoldBench/README.md b/benchmarks/FoldBench/README.md new file mode 100644 index 0000000000000000000000000000000000000000..1c9a8105675d7a34833e64a3cb4973b56e5fb67f --- /dev/null +++ b/benchmarks/FoldBench/README.md @@ -0,0 +1,238 @@ +# Benchmarking all-atom biomolecular structure prediction with FoldBench + +![Abstract](./assets/fig1_abstract.png) + + +FoldBench is a low-homology benchmark spanning proteins, nucleic acids, ligands, and six major interaction types, enabling assessments that were previously infeasible with task-specific datasets. + +## 📢 Updates ++ **2025-12-31**: The evaluation results for RosettaFold3 (latest) have been updated. ++ **2025-12-05**: The evaluation results for Boltz-2 and OpenFold3-preview have been updated. ++ **2025-12-04**: FoldBench has been published in [Nature Communications](https://www.nature.com/articles/s41467-025-67127-3). + +## 🎯 FoldBench Targets +The FoldBench benchmark targets are open source. This comprehensive dataset, located in the `targets` directory, is organized into two primary collections: + +### **Interfaces** + +* **Protein–Protein:** 279 interfaces +* **Antibody–Antigen:** 172 interfaces +* **Protein–Ligand:** 558 interfaces +* **Protein–Peptide:** 51 interfaces +* **Protein–RNA:** 70 interfaces +* **Protein–DNA:** 330 interfaces + +### **Monomeric Structures** + +* **Protein Monomers:** 330 structures +* **RNA Monomers:** 15 structures +* **DNA Monomers:** 14 structures + +## 🏆 Leaderboard + +**Evaluation Metrics:** Interface prediction tasks are evaluated by success rate, while monomer prediction tasks use LDDT (Local Distance Difference Test) scores. All results are based on comprehensive evaluations across our low-homology benchmark dataset. + +### Results on targets released after 2023-01 (full set) +#### Protein Interactions + +| Model | Protein-Protein | Antibody–Antigen | Protein-Ligand | +|:--------------:|:--------------:|:-----:|:--------------:| +| AlphaFold 3 | 72.93% | 47.90% | 64.90% | +| Boltz-1 | 68.25% | 33.54% | 55.04% | +| Chai-1 | 68.53% | 23.64% | 51.23% | +| HelixFold 3 | 66.27% | 28.40% | 51.82% | +| Protenix | 68.18% | 34.13% | 50.70% | +| OpenFold 3 (preview) | 69.96% | 28.83% | 44.49% | + +#### Nucleic acids + +| Model | Protein-RNA | Protein-DNA | RNA Monomer | DNA Monomer | +|:--------------:|:-----------:|:-----------:|:-----------:|:-----------:| +| AlphaFold 3 | 62.32% | 79.18% | 0.61 | 0.53 | +| Boltz-1 | 56.90% | 70.97% | 0.44 | 0.34 | +| Chai-1 | 50.91% | 69.97% | 0.49 | 0.46 | +| HelixFold 3 | 48.28% | 50.00% | 0.55 | 0.29 | +| Protenix | 44.78% | 68.39% | 0.59 | 0.44 | +| OpenFold 3 (preview) | 18.84% | 5.88% | 0.63 | 0.51 | + +### Results on targets released after 2024-01 +#### Protein Interactions +| Model | Protein-Protein | Antibody–Antigen | Protein-Ligand | +|:--------------:|:--------------:|:-----:|:--------------:| +| AlphaFold 3 | 70.87% | 47.95% | 67.59% | +| Boltz-1 | 64.10% | 31.43% | 51.33% | +| Chai-1 | 66.95% | 18.31% | 49.28% | +| HelixFold 3 | 66.67% | 28.17% | 50.68% | +| Protenix | 64.80% | 38.36% | 53.25% | +| OpenFold 3 (preview) | 68.22% | 34.29% | 40.85% | +| Boltz-2* | 70.54% | 25.00% | 53.90% | +| RosettaFold3* | 72.44% | 37.50% | 57.28% | + + +#### Nucleic acids + +| Model | Protein-RNA | Protein-DNA | +|:--------------:|:-----------:|:-----------:| +| AlphaFold 3 | 72.50% | 80.45% | +| Boltz-1 | 70.00% | 69.77% | +| Chai-1 | 55.56% | 69.14% | +| HelixFold 3 | 54.29% | 61.18% | +| Protenix | 56.41% | 67.63% | +| OpenFold 3 (preview) | 25.00% | 5.81% | +| Boltz-2* | 76.92% | 73.84% | +| RosettaFold3*^ | - | 66.07% | + + + + +*Models marked with * have a training cutoff later than FoldBench's reference date (2023-01-13). FoldBench targets are constructed to ensure **low homology specifically against the PDB data prior to 2023-01-13**. Consequently, models trained on data released after this date may have observed these targets or their close homologs during training (potential data leakage), compromising the low-homology evaluation condition. Results for these models are provided for reference only and should not be directly compared with strictly valid models. + +**Nucleic acid monomer results are omitted due to insufficient target availability. + +^Results are not shown due to insufficient targets caused by errors during inference or evaluation stages. + +**Note:** +- Interface prediction is evaluated by success rate. +- Monomer prediction is evaluated by LDDT. +- Success is defined as: + - For protein–ligand interfaces: LRMSD < 2 Å and LDDT-PLI > 0.8 + - For all other interfaces: DockQ ≥ 0.23 +- We developed an algorithm to identify and prevent overfitting of models on FoldBench, ensuring fair and reliable evaluation. + +## 📈 Detailed Performance Analysis + +### Results on targets released after 2023-01 (full set) +![Protein-Protein Interactions](./assets/detail_full.png) + +### Results on targets released after 2024-01 +![Protein-Ligand Interactions](./assets/detail_24.png) + +## 🚀 Getting Started + +To get started with FoldBench, clone the repository and set up the Conda environment. + +```bash +# 1. Clone the repository +git clone https://github.com/BEAM-Labs/FoldBench.git +cd FoldBench + +# 2. Create and activate the Conda environment for evaluation +conda env create -f environment.yml +conda activate foldbench +``` + +## ⚙️ Evaluation +You can use our provided evaluation samples to reproduce the evaluation workflow. The final results will be generated in `examples/summary_table.csv`. + +```bash +# Ensure you are in the FoldBench root directory and the conda environment is active + +# Step 1: Calculate per-target scores from prediction files +# This uses OpenStructure (ost) and DockQ to score each prediction against its ground truth +python evaluate.py \ + --targets_dir ./examples/targets \ + --evaluation_dir ./examples/outputs/evaluation \ + --algorithm_name Protenix \ + --ground_truth_dir ./examples/ground_truths + +# Step 2: Aggregate scores and calculate the final success rates/LDDT +# This summarizes the results for specified models and tasks into a final table +python task_score_summary.py \ + --evaluation_dir ./examples/outputs/evaluation \ + --target_dir ./examples/targets \ + --output_path ./examples/summary_table.csv \ + --algorithm_names Protenix \ + --targets interface_protein_ligand interface_protein_dna monomer_protein \ + --metric_type rank +``` + +### Evaluate more structures +To evaluate more structures in FoldBench, you'll need to follow these steps: + +#### **1. Prepare Your Data** + +* **Edit the target CSV files:** Modify the CSV files located in the `examples/targets` directory. These files should contain information about the structures you want to evaluate. +* **Download ground truth CIF files:** A package containing the specific original CIF files referenced during the benchmark's creation is available for download here: [FoldBench Referenced CIFs](https://drive.google.com/file/d/17KdWDXKATaeHF6inPxhPHIRuIzeqiJxS/view?usp=sharing). Save these files in the `examples/ground_truths` directory. Ensure the filenames correspond to your data in the CSV files. + + +#### **2. Update Evaluation Outputs** + +* **Modify `prediction_reference.csv`:** After preparing your data, you'll need to adjust the `./outputs/evaluation/{algorithm_name}/prediction_reference.csv` file to specify the model's ranking scores and the paths to the predicted structures. Please refer to the **[Integrating a New Model into FoldBench](./algorithms/README.md)**. + + +## ✨ Integrating a New Model into FoldBench + +We enthusiastically welcome community submissions! + +You can submit your algorithm for us to run the tests. + +For detailed instructions on how to package your model for submission, please see the contributor's guide: +**[Integrating a New Model into FoldBench](./algorithms/README.md)**. + + +## 🏠 Repository Structure + +The FoldBench repository is organized to separate benchmark data, evaluation code, and evaluation samples. + +``` +FoldBench/ +├── targets/ # FoldBench targets csv files +│ ├── interface_antibody_antigen.csv +│ └── ... +├── algorithms/ +│ ├── algorithm_name/ # Custom model's code and definition files go here +│ └── ... +├── examples/ +│ ├── outputs/ +│ │ ├── input/ # Preprocessed inputs for each algorithm +│ │ │ └── algorithm_name/ +│ │ ├── prediction/ # Model predictions (e.g., .cif files) +│ │ │ └── algorithm_name/ +│ │ └── evaluation/ # Final scores and summaries +│ │ └── algorithm_name/ +│ ├── targets/ # Target definitions +│ ├── ground_truths/ # Ground truth cif files +│ └── alphafold3_inputs.json # Alphafold3 input json +├── build_apptainer_images.sh # Script to build all algorithm containers +├── environment.yml # Conda environment for evaluation scripts +├── run.sh # Master script to run inference and evaluation +├── evaluate.py # Prediction evaluation +├── task_score_summary.py # Benchmark score summary +└── ... +``` + +## 🙏 Acknowledgements + +We gratefully acknowledge the developers of the following projects, which are essential to FoldBench: + ++ [Alphafold3](https://github.com/google-deepmind/alphafold3) ++ [Protenix](https://github.com/bytedance/Protenix) ++ [Chai-1](https://github.com/chaidiscovery/chai-lab) ++ [Boltz-1/2](https://github.com/jwohlwend/boltz) ++ [Helixfold3](https://github.com/PaddlePaddle/PaddleHelix/tree/dev/apps/protein_folding/helixfold3) ++ [OpenFold 3](https://github.com/aqlaboratory/openfold-3) ++ [OpenStructure](https://git.scicore.unibas.ch/schwede/openstructure) ++ [DockQ](https://github.com/bjornwallner/DockQ) + +## 📄 License + +This project is licensed under the MIT License - see the [LICENSE](LICENSE) file for details. + +The MIT License is a permissive open source license that allows for commercial and non-commercial use, modification, distribution, and private use of the software, provided that the original copyright notice and license terms are included. + +## ✍️ How to Cite + +If you use FoldBench in your research, please cite our paper: + +```bibtex +@article{xu_benchmarking_2025, + title = {Benchmarking all-atom biomolecular structure prediction with {FoldBench}}, + issn = {2041-1723}, + url = {https://doi.org/10.1038/s41467-025-67127-3}, + doi = {10.1038/s41467-025-67127-3}, + journal = {Nature Communications}, + author = {Xu, Sheng and Feng, Qiantai and Qiao, Lifeng and Wu, Hao and Shen, Tao and Cheng, Yu and Zheng, Shuangjia and Sun, Siqi}, + month = dec, + year = {2025}, +} +``` \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/LICENSE b/benchmarks/FoldBench/algorithms/Protenix/Protenix/LICENSE new file mode 100644 index 0000000000000000000000000000000000000000..c6dd1f322a49000ac84f511711b418fdcaaeda9e --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/LICENSE @@ -0,0 +1,208 @@ + + Apache License + Version 2.0, January 2004 + http://www.apache.org/licenses/ + + TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION + + 1. 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We also recommend that a + file or class name and description of purpose be included on the + same "printed page" as the copyright notice for easier + identification within third-party archives. + + Copyright 2024 ByteDance and/or its affiliates. + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. + +Implementation of the `LayerNorm` operators (in protenix/model/layer_norm/) referred to [OneFlow] +(https://github.com/Oneflow-Inc/oneflow) and [FastFold](https://github.com/hpcaitech/FastFold). +We used [OpenFold](https://github.com/aqlaboratory/openfold) for some +(in protenix/openfold_local/) implementations, except the `LayerNorm` part. the worker OneFlow, +FastFold and openfold are licensed under Apache License 2.0. \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_base.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_base.py new file mode 100644 index 0000000000000000000000000000000000000000..4a6e219ba19237316ef251731f9f83449f982cb7 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_base.py @@ -0,0 +1,353 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +# pylint: disable=C0114,C0301 +from protenix.config.extend_types import ( + GlobalConfigValue, + ListValue, + RequiredValue, + ValueMaybeNone, +) + +basic_configs = { + "project": RequiredValue(str), + "run_name": RequiredValue(str), + "base_dir": RequiredValue(str), + # training + "eval_interval": RequiredValue(int), + "log_interval": RequiredValue(int), + "checkpoint_interval": -1, + "eval_first": False, # run evaluate() before training steps + "iters_to_accumulate": 1, + "eval_only": False, + "load_checkpoint_path": "", + "load_ema_checkpoint_path": "", + "load_strict": False, + "load_params_only": True, + "skip_load_step": False, + "skip_load_optimizer": False, + "skip_load_scheduler": False, + "train_confidence_only": False, + "use_wandb": True, + "wandb_id": "", + "seed": 42, + "deterministic": False, + "ema_decay": -1.0, + "eval_ema_only": False, # whether wandb only tracking ema checkpoint metrics + "ema_mutable_param_keywords": [""], +} +data_configs = { + # Data + "train_crop_size": 256, + "test_max_n_token": -1, + "train_lig_atom_rename": False, + "train_shuffle_mols": False, + "train_shuffle_sym_ids": False, + "test_lig_atom_rename": False, + "test_shuffle_mols": False, + "test_shuffle_sym_ids": False, +} +optim_configs = { + # Optim + "lr": 0.0018, + "lr_scheduler": "af3", + "warmup_steps": 10, + "max_steps": RequiredValue(int), + "min_lr_ratio": 0.1, + "decay_every_n_steps": 50000, + "grad_clip_norm": 10, + # Optim - Adam + "adam": { + "beta1": 0.9, + "beta2": 0.95, + "weight_decay": 1e-8, + "lr": GlobalConfigValue("lr"), + "use_adamw": False, + }, + # Optim - LRScheduler + "af3_lr_scheduler": { + "warmup_steps": GlobalConfigValue("warmup_steps"), + "decay_every_n_steps": GlobalConfigValue("decay_every_n_steps"), + "decay_factor": 0.95, + "lr": GlobalConfigValue("lr"), + }, +} +model_configs = { + # Model + "c_s": 384, + "c_z": 128, + "c_s_inputs": 449, # c_s_inputs == c_token + 32 + 32 + 1 + "c_atom": 128, + "c_atompair": 16, + "c_token": 384, + "n_blocks": 48, + "max_atoms_per_token": 24, # DNA G max_atoms = 23 + "no_bins": 64, + "sigma_data": 16.0, + "diffusion_batch_size": 48, + "diffusion_chunk_size": ValueMaybeNone(4), # chunksize of diffusion_batch_size + "blocks_per_ckpt": ValueMaybeNone( + 1 + ), # NOTE: Number of blocks in each activation checkpoint, if None, no checkpointing is performed. + # switch of kernels + "use_memory_efficient_kernel": False, + "use_deepspeed_evo_attention": True, + "use_flash": False, + "use_lma": False, + "use_xformer": False, + "find_unused_parameters": False, + "dtype": "bf16", # default training dtype: bf16 + "loss_metrics_sparse_enable": True, # the swicth for both sparse lddt metrics and sparse bond/smooth lddt loss + "skip_amp": { + "sample_diffusion": True, + "confidence_head": True, + "sample_diffusion_training": True, + "loss": True, + }, + "infer_setting": { + "chunk_size": ValueMaybeNone( + 64 + ), # should set to null for normal training and small dataset eval [for efficiency] + "sample_diffusion_chunk_size": ValueMaybeNone( + 1 + ), # should set to null for normal training and small dataset eval [for efficiency] + "lddt_metrics_sparse_enable": GlobalConfigValue("loss_metrics_sparse_enable"), + "lddt_metrics_chunk_size": ValueMaybeNone( + 1 + ), # only works if loss_metrics_sparse_enable, can set as default 1 + }, + "train_noise_sampler": { + "p_mean": -1.2, + "p_std": 1.5, + "sigma_data": 16.0, # NOTE: in EDM, this is 1.0 + }, + "inference_noise_scheduler": { + "s_max": 160.0, + "s_min": 4e-4, + "rho": 7, + "sigma_data": 16.0, # NOTE: in EDM, this is 1.0 + }, + "sample_diffusion": { + "gamma0": 0.8, + "gamma_min": 1.0, + "noise_scale_lambda": 1.003, + "step_scale_eta": 1.5, + "N_step": 200, + "N_sample": 5, + "N_step_mini_rollout": 20, + "N_sample_mini_rollout": 1, + }, + "model": { + "N_model_seed": 1, # for inference + "N_cycle": 4, + "input_embedder": { + "c_atom": GlobalConfigValue("c_atom"), + "c_atompair": GlobalConfigValue("c_atompair"), + "c_token": GlobalConfigValue("c_token"), + }, + "relative_position_encoding": { + "r_max": 32, + "s_max": 2, + "c_z": GlobalConfigValue("c_z"), + }, + "template_embedder": { + "c": 64, + "c_z": GlobalConfigValue("c_z"), + "n_blocks": 0, + "dropout": 0.25, + "blocks_per_ckpt": GlobalConfigValue("blocks_per_ckpt"), + }, + "msa_module": { + "c_m": 64, + "c_z": GlobalConfigValue("c_z"), + "c_s_inputs": GlobalConfigValue("c_s_inputs"), + "n_blocks": 4, + "msa_dropout": 0.15, + "pair_dropout": 0.25, + "blocks_per_ckpt": GlobalConfigValue("blocks_per_ckpt"), + }, + "pairformer": { + "n_blocks": GlobalConfigValue("n_blocks"), + "c_z": GlobalConfigValue("c_z"), + "c_s": GlobalConfigValue("c_s"), + "n_heads": 16, + "dropout": 0.25, + "blocks_per_ckpt": GlobalConfigValue("blocks_per_ckpt"), + }, + "diffusion_module": { + "use_fine_grained_checkpoint": True, + "sigma_data": GlobalConfigValue("sigma_data"), + "c_token": 768, + "c_atom": GlobalConfigValue("c_atom"), + "c_atompair": GlobalConfigValue("c_atompair"), + "c_z": GlobalConfigValue("c_z"), + "c_s": GlobalConfigValue("c_s"), + "c_s_inputs": GlobalConfigValue("c_s_inputs"), + "initialization": { + "zero_init_condition_transition": False, + "zero_init_atom_encoder_residual_linear": False, + "he_normal_init_atom_encoder_small_mlp": False, + "he_normal_init_atom_encoder_output": False, + "glorot_init_self_attention": False, + "zero_init_adaln": True, + "zero_init_residual_condition_transition": False, + "zero_init_dit_output": True, + "zero_init_atom_decoder_linear": False, + }, + "atom_encoder": { + "n_blocks": 3, + "n_heads": 4, + }, + "transformer": { + "n_blocks": 24, + "n_heads": 16, + }, + "atom_decoder": { + "n_blocks": 3, + "n_heads": 4, + }, + "blocks_per_ckpt": GlobalConfigValue("blocks_per_ckpt"), + }, + "confidence_head": { + "c_z": GlobalConfigValue("c_z"), + "c_s": GlobalConfigValue("c_s"), + "c_s_inputs": GlobalConfigValue("c_s_inputs"), + "n_blocks": 4, + "max_atoms_per_token": GlobalConfigValue("max_atoms_per_token"), + "pairformer_dropout": 0.0, + "blocks_per_ckpt": GlobalConfigValue("blocks_per_ckpt"), + "distance_bin_start": 3.25, + "distance_bin_end": 52.0, + "distance_bin_step": 1.25, + "stop_gradient": True, + }, + "distogram_head": { + "c_z": GlobalConfigValue("c_z"), + "no_bins": GlobalConfigValue("no_bins"), + }, + }, +} +perm_configs = { + # Chain and Atom Permutation + "chain_permutation": { + "train": { + "mini_rollout": True, + "diffusion_sample": False, + }, + "test": { + "diffusion_sample": True, + }, + "permute_by_pocket": True, + "configs": { + "use_center_rmsd": False, + "find_gt_anchor_first": False, + "accept_it_as_it_is": False, + "enumerate_all_anchor_pairs": False, + "selection_metric": "aligned_rmsd", + }, + }, + "atom_permutation": { + "train": { + "mini_rollout": True, + "diffusion_sample": False, + }, + "test": { + "diffusion_sample": True, + }, + "permute_by_pocket": True, + "global_align_wo_symmetric_atom": False, + }, +} +loss_configs = { + "loss": { + "diffusion_lddt_chunk_size": ValueMaybeNone(1), + "diffusion_bond_chunk_size": ValueMaybeNone(1), + "diffusion_chunk_size_outer": ValueMaybeNone(-1), + "diffusion_sparse_loss_enable": GlobalConfigValue("loss_metrics_sparse_enable"), + "diffusion_lddt_loss_dense": True, # only set true in initial training for training speed + "resolution": {"min": 0.1, "max": 4.0}, + "weight": { + "alpha_confidence": 1e-4, + "alpha_pae": 0.0, # or 1 in finetuning stage 3 + "alpha_except_pae": 1.0, + "alpha_diffusion": 4.0, + "alpha_distogram": 3e-2, + "alpha_bond": 0.0, # or 1 in finetuning stages + "smooth_lddt": 1.0, # or 0 in finetuning stages + }, + "plddt": { + "min_bin": 0, + "max_bin": 1.0, + "no_bins": 50, + "normalize": True, + "eps": 1e-6, + }, + "pde": { + "min_bin": 0, + "max_bin": 32, + "no_bins": 64, + "eps": 1e-6, + }, + "resolved": { + "eps": 1e-6, + }, + "pae": { + "min_bin": 0, + "max_bin": 32, + "no_bins": 64, + "eps": 1e-6, + }, + "diffusion": { + "mse": { + "weight_mse": 1 / 3, + "weight_dna": 5.0, + "weight_rna": 5.0, + "weight_ligand": 10.0, + "eps": 1e-6, + }, + "bond": { + "eps": 1e-6, + }, + "smooth_lddt": { + "eps": 1e-6, + }, + }, + "distogram": { + "min_bin": 2.3125, + "max_bin": 21.6875, + "no_bins": 64, + "eps": 1e-6, + }, + }, + "metrics": { + "lddt": { + "eps": 1e-6, + }, + "complex_ranker_keys": ListValue(["plddt", "gpde", "ranking_score"]), + "chain_ranker_keys": ListValue(["chain_ptm", "chain_plddt"]), + "interface_ranker_keys": ListValue( + ["chain_pair_iptm", "chain_pair_iptm_global", "chain_pair_plddt"] + ), + "clash": {"af3_clash_threshold": 1.1, "vdw_clash_threshold": 0.75}, + }, +} + +configs = { + **basic_configs, + **data_configs, + **optim_configs, + **model_configs, + **perm_configs, + **loss_configs, +} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_data.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_data.py new file mode 100644 index 0000000000000000000000000000000000000000..47dadac17c2de86dc8ee601b8bf86b98d2900245 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_data.py @@ -0,0 +1,199 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +# pylint: disable=C0114,C0301 +import os +from copy import deepcopy + +from protenix.config.extend_types import GlobalConfigValue, ListValue + +default_test_configs = { + "sampler_configs": { + "sampler_type": "uniform", + }, + "cropping_configs": { + "method_weights": [ + 0.0, # ContiguousCropping + 0.0, # SpatialCropping + 1.0, # SpatialInterfaceCropping + ], + "crop_size": -1, + }, + "lig_atom_rename": GlobalConfigValue("test_lig_atom_rename"), + "shuffle_mols": GlobalConfigValue("test_shuffle_mols"), + "shuffle_sym_ids": GlobalConfigValue("test_shuffle_sym_ids"), +} + +default_weighted_pdb_configs = { + "sampler_configs": { + "sampler_type": "weighted", + "beta_dict": { + "chain": 0.5, + "interface": 1, + }, + "alpha_dict": { + "prot": 3, + "nuc": 3, + "ligand": 1, + }, + "force_recompute_weight": True, + }, + "cropping_configs": { + "method_weights": ListValue([0.2, 0.4, 0.4]), + "crop_size": GlobalConfigValue("train_crop_size"), + }, + "sample_weight": 0.5, + "limits": -1, + "lig_atom_rename": GlobalConfigValue("train_lig_atom_rename"), + "shuffle_mols": GlobalConfigValue("train_shuffle_mols"), + "shuffle_sym_ids": GlobalConfigValue("train_shuffle_sym_ids"), +} + +# DATA_ROOT_DIR = "/af3-dev/release_data/" +DATA_ROOT_DIR = "/af3-dev/release_data/" +# CCD_COMPONENTS_FILE_PATH = '/data1/qtfeng/dev/af3_benchmark/data/components.cif' +# CCD_COMPONENTS_RDKIT_MOL_FILE_PATH='/data1/qtfeng/dev/af3_benchmark/data/components.cif.rdkit_mol.pkl' + +CCD_COMPONENTS_FILE_PATH = os.path.join(DATA_ROOT_DIR, "components.v20240608.cif") +CCD_COMPONENTS_RDKIT_MOL_FILE_PATH = os.path.join( + DATA_ROOT_DIR, "components.v20240608.cif.rdkit_mol.pkl" +) + +# This is a patch in inference stage for users that do not have root permission. +# If you run +# ``` +# bash inference_demo.sh +# ``` +# or +# ``` +# protenix predict --input examples/example.json --out_dir ./output +# ```` +# The checkpoint and the data cache will be downloaded to the current code directory. +if (not os.path.exists(CCD_COMPONENTS_FILE_PATH)) or ( + not os.path.exists(CCD_COMPONENTS_RDKIT_MOL_FILE_PATH) +): + print("Try to find the ccd cache data in the code directory for inference.") + current_file_path = os.path.abspath(__file__) + current_directory = os.path.dirname(current_file_path) + code_directory = os.path.dirname(current_directory) + + data_cache_dir = os.path.join(code_directory, "release_data/ccd_cache") + CCD_COMPONENTS_FILE_PATH = os.path.join(data_cache_dir, "components.v20240608.cif") + CCD_COMPONENTS_RDKIT_MOL_FILE_PATH = os.path.join( + data_cache_dir, "components.v20240608.cif.rdkit_mol.pkl" + ) + + +data_configs = { + "num_dl_workers": 16, + "epoch_size": 10000, + "train_ref_pos_augment": True, + "test_ref_pos_augment": True, + "train_sets": ListValue(["weightedPDB_before2109_wopb_nometalc_0925"]), + "train_sampler": { + "train_sample_weights": ListValue([1.0]), + "sampler_type": "weighted", + }, + "test_sets": ListValue(["recentPDB_1536_sample384_0925"]), + "weightedPDB_before2109_wopb_nometalc_0925": { + "base_info": { + "mmcif_dir": os.path.join(DATA_ROOT_DIR, "mmcif"), + "bioassembly_dict_dir": os.path.join(DATA_ROOT_DIR, "mmcif_bioassembly"), + "indices_fpath": os.path.join( + DATA_ROOT_DIR, + "indices/weightedPDB_indices_before_2021-09-30_wo_posebusters_resolution_below_9.csv.gz", + ), + "pdb_list": "", + "random_sample_if_failed": True, + "max_n_token": -1, # can be used for removing data with too many tokens. + "use_reference_chains_only": False, + "exclusion": { # do not sample the data based on ions. + "mol_1_type": ListValue(["ions"]), + "mol_2_type": ListValue(["ions"]), + }, + }, + **deepcopy(default_weighted_pdb_configs), + }, + "recentPDB_1536_sample384_0925": { + "base_info": { + "mmcif_dir": os.path.join(DATA_ROOT_DIR, "mmcif"), + "bioassembly_dict_dir": os.path.join( + DATA_ROOT_DIR, "recentPDB_bioassembly" + ), + "indices_fpath": os.path.join( + DATA_ROOT_DIR, "indices/recentPDB_low_homology_maxtoken1536.csv" + ), + "pdb_list": os.path.join( + DATA_ROOT_DIR, + "indices/recentPDB_low_homology_maxtoken1024_sample384_pdb_id.txt", + ), + "max_n_token": GlobalConfigValue("test_max_n_token"), # filter data + "sort_by_n_token": False, + "group_by_pdb_id": True, + "find_eval_chain_interface": True, + }, + **deepcopy(default_test_configs), + }, + "posebusters_0925": { + "base_info": { + "mmcif_dir": os.path.join(DATA_ROOT_DIR, "posebusters_mmcif"), + "bioassembly_dict_dir": os.path.join( + DATA_ROOT_DIR, "posebusters_bioassembly" + ), + "indices_fpath": os.path.join( + DATA_ROOT_DIR, "indices/posebusters_indices_mainchain_interface.csv" + ), + "pdb_list": "", + "find_pocket": True, + "find_all_pockets": False, + "max_n_token": GlobalConfigValue("test_max_n_token"), # filter data + }, + **deepcopy(default_test_configs), + }, + "msa": { + "enable": True, + "enable_rna_msa": False, + "prot": { + "pairing_db": "uniref100", + "non_pairing_db": "mmseqs_other", + "pdb_mmseqs_dir": os.path.join(DATA_ROOT_DIR, "mmcif_msa"), + "seq_to_pdb_idx_path": os.path.join(DATA_ROOT_DIR, "seq_to_pdb_index.json"), + "indexing_method": "sequence", + }, + "rna": { + "seq_to_pdb_idx_path": "", + "rna_msa_dir": "", + "indexing_method": "sequence", + }, + "strategy": "random", + "merge_method": "dense_max", + "min_size": { + "train": 1, + "test": 2048, + }, + "max_size": { + "train": 16384, + "test": 16384, + }, + "sample_cutoff": { + "train": 2048, + "test": 2048, + }, + }, + "template": { + "enable": False, + }, + "ccd_components_file": CCD_COMPONENTS_FILE_PATH, + "ccd_components_rdkit_mol_file": CCD_COMPONENTS_RDKIT_MOL_FILE_PATH, +} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_inference.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_inference.py new file mode 100644 index 0000000000000000000000000000000000000000..1b6f50c054a4e3b937ec8e4b4dbcd247d46bb411 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/configs/configs_inference.py @@ -0,0 +1,35 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +# pylint: disable=C0114 +import os + +from protenix.config.extend_types import ListValue, RequiredValue + +current_file_path = os.path.abspath(__file__) +current_directory = os.path.dirname(current_file_path) +code_directory = os.path.dirname(current_directory) +# The model will be download to the following dir if not exists: +# "./release_data/checkpoint/model_v0.2.0.pt" +inference_configs = { + "seeds": ListValue([101]), + "dump_dir": "./output", + "need_atom_confidence": False, + "input_json_path": RequiredValue(str), + "load_checkpoint_path": os.path.join( + code_directory, "./release_data/checkpoint/model_v0.2.0.pt" + ), + "num_workers": 16, + "use_msa": True, +} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..a3ca6e85f7c85a4d2d6cf16e3748b85c52e8abba --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/__init__.py @@ -0,0 +1,14 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +from .config import load_config, parse_configs, parse_sys_args, save_config diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/config.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/config.py new file mode 100644 index 0000000000000000000000000000000000000000..ac9a7cad38fb30f5974511ee4ffc8c65ce69fc49 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/config.py @@ -0,0 +1,288 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import argparse +import copy +import sys +from typing import Any, Optional, Union + +import yaml +from ml_collections.config_dict import ConfigDict + +from protenix.config.extend_types import ( + DefaultNoneWithType, + GlobalConfigValue, + ListValue, + RequiredValue, + ValueMaybeNone, + get_bool_value, +) + + +class ArgumentNotSet(object): + pass + + +class ConfigManager(object): + def __init__(self, global_configs: dict, fill_required_with_null: bool = False): + """ + Initialize the ConfigManager instance. + + Args: + global_configs (dict): A dictionary containing global configuration settings. + fill_required_with_null (bool, optional): + A boolean flag indicating whether required values should be filled with `None` if not provided. Defaults to False. + """ + self.global_configs = global_configs + self.fill_required_with_null = fill_required_with_null + self.config_infos, self.default_configs = self.get_config_infos() + + def get_value_info( + self, value + ) -> tuple[Any, Optional[Any], Optional[bool], Optional[bool]]: + """ + Return the type, default value, whether it allows None, and whether it is required for a given value. + + Args: + value: The value to determine the information for. + + Returns: + tuple: A tuple containing the following elements: + - dtype: The type of the value. + - default_value: The default value for the value. + - allow_none: A boolean indicating whether the value can be None. + - required: A boolean indicating whether the value is required. + """ + if isinstance(value, DefaultNoneWithType): + return value.dtype, None, True, False + elif isinstance(value, ValueMaybeNone): + return value.dtype, value.value, True, False + elif isinstance(value, RequiredValue): + if self.fill_required_with_null: + return value.dtype, None, True, False + else: + return value.dtype, None, False, True + elif isinstance(value, GlobalConfigValue): + return self.get_value_info(self.global_configs[value.global_key]) + elif isinstance(value, ListValue): + return (value.dtype, value.value, False, False) + elif isinstance(value, list): + return (type(value[0]), value, False, False) + else: + return type(value), value, False, False + + def _get_config_infos(self, config_dict: dict) -> dict: + """ + Recursively extracts configuration information from a given dictionary. + + Args: + config_dict (dict): The dictionary containing configuration settings. + + Returns: + tuple: A tuple containing two dictionaries: + - all_keys: A dictionary mapping keys to their corresponding configuration information. + - default_configs: A dictionary mapping keys to their default configuration values. + + Raises: + AssertionError: If a key contains a period (.), which is not allowed. + """ + all_keys = {} + default_configs = {} + for key, value in config_dict.items(): + assert "." not in key + if isinstance(value, (dict)): + children_keys, children_configs = self._get_config_infos(value) + all_keys.update( + { + f"{key}.{child_key}": child_value_type + for child_key, child_value_type in children_keys.items() + } + ) + default_configs[key] = children_configs + else: + value_info = self.get_value_info(value) + all_keys[key] = value_info + default_configs[key] = value_info[1] + return all_keys, default_configs + + def get_config_infos(self): + return self._get_config_infos(self.global_configs) + + def _merge_configs( + self, + new_configs: dict, + global_configs: dict, + local_configs: dict, + prefix="", + ) -> ConfigDict: + """Overwrite default configs with new configs recursively. + Args: + new_configs: global flattern config dict with all hierarchical config keys joined by '.', i.e. + { + 'c_z': 32, + 'model.evoformer.c_z': 16, + ... + } + global_configs: global hierarchical merging configs, i.e. + { + 'c_z' 32, + 'c_m': 128, + 'model': { + 'evoformer': { + ... + } + } + } + local_configs: hierarchical merging config dict in current level, i.e. for 'model' level, this maybe + { + 'evoformer': { + 'c_z': GlobalConfigValue("c_z"), + }, + 'embedder': { + ... + } + } + prefix (str, optional): A prefix string to prepend to keys during recursion. Defaults to an empty string. + + Returns: + ConfigDict: The merged configuration dictionary. + + Raises: + Exception: If a required config value is not allowed to be None. + """ + # Merge configs in current level first, since these configs maybe referenced by lower level + for key, value in local_configs.items(): + if isinstance(value, dict): + continue + full_key = f"{prefix}.{key}" if prefix else key + dtype, default_value, allow_none, required = self.config_infos[full_key] + if full_key in new_configs and not isinstance( + new_configs[full_key], ArgumentNotSet + ): + if allow_none and new_configs[full_key] in [ + "None", + "none", + "null", + ]: + local_configs[key] = None + elif dtype == bool: + local_configs[key] = get_bool_value(new_configs[full_key]) + elif isinstance(value, (ListValue, list)): + local_configs[key] = ( + [dtype(s) for s in new_configs[full_key].strip().split(",")] + if new_configs[full_key].strip() + else [] + ) + else: + local_configs[key] = dtype(new_configs[full_key]) + elif isinstance(value, GlobalConfigValue): + local_configs[key] = global_configs[value.global_key] + else: + if not allow_none and default_value is None: + raise Exception(f"config {full_key} not allowed to be none") + local_configs[key] = default_value + for key, value in local_configs.items(): + if not isinstance(value, dict): + continue + self._merge_configs( + new_configs, global_configs, value, f"{prefix}.{key}" if prefix else key + ) + + def merge_configs(self, new_configs: dict) -> ConfigDict: + configs = copy.deepcopy(self.global_configs) + self._merge_configs(new_configs, configs, configs) + return ConfigDict(configs) + + +def parse_configs( + configs: dict, arg_str: str = None, fill_required_with_null: bool = False +) -> ConfigDict: + """ + Parses and merges configuration settings from a dictionary and command-line arguments. + + Args: + configs (dict): A dictionary containing initial configuration settings. + arg_str (str, optional): A string representing command-line arguments. Defaults to None. + fill_required_with_null (bool, optional): + A boolean flag indicating whether required values should be filled with `None` if not provided. Defaults to False. + + Returns: + ConfigDict: The merged configuration dictionary. + """ + manager = ConfigManager(configs, fill_required_with_null=fill_required_with_null) + parser = argparse.ArgumentParser() + # Register arguments + for key, ( + dtype, + default_value, + allow_none, + required, + ) in manager.config_infos.items(): + # All config use str type, strings will be converted to real dtype later + parser.add_argument( + "--" + key, type=str, default=ArgumentNotSet(), required=required + ) + # Merge user commandline pargs with default ones + merged_configs = manager.merge_configs( + vars(parser.parse_args(arg_str.split())) if arg_str else {} + ) + return merged_configs + + +def parse_sys_args() -> str: + """ + Check whether command-line arguments are valid. + Each argument is expected to be in the format `--key value`. + + Returns: + str: A string formatted as command-line arguments. + + Raises: + AssertionError: If any key does not start with `--`. + """ + args = sys.argv[1:] + arg_str = "" + for k, v in zip(args[::2], args[1::2]): + assert k.startswith("--") + arg_str += f"{k} {v} " + return arg_str + + +def load_config(path: str) -> dict: + """ + Loads a configuration from a YAML file. + + Args: + path (str): The path to the YAML file containing the configuration. + + Returns: + dict: A dictionary containing the configuration loaded from the YAML file. + """ + with open(path, "r") as f: + return yaml.safe_load(f) + + +def save_config(config: Union[ConfigDict, dict], path: str) -> None: + """ + Saves a configuration to a YAML file. + + Args: + config (ConfigDict or dict): The configuration to be saved. + If it is a ConfigDict, it will be converted to a dictionary. + path (str): The path to the YAML file where the configuration will be saved. + """ + with open(path, "w") as f: + if isinstance(config, ConfigDict): + config = config.to_dict() + yaml.safe_dump(config, f) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/extend_types.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/extend_types.py new file mode 100644 index 0000000000000000000000000000000000000000..f72eaf79a36de619801f24a6ef6639ac88a0777a --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/config/extend_types.py @@ -0,0 +1,55 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + + +class DefaultNoneWithType(object): + def __init__(self, dtype): + self.dtype = dtype + + +class ValueMaybeNone(object): + def __init__(self, value): + assert value is not None + self.dtype = type(value) + self.value = value + + +class GlobalConfigValue(object): + def __init__(self, global_key): + self.global_key = global_key + + +class RequiredValue(object): + def __init__(self, dtype): + self.dtype = dtype + + +class ListValue(object): + def __init__(self, value, dtype=None): + if value is not None: + self.value = value + self.dtype = type(value[0]) + else: + self.value = None + self.dtype = dtype + + +def get_bool_value(bool_str: str): + bool_str_lower = bool_str.lower() + if bool_str_lower in ("false", "f", "no", "n", "0"): + return False + elif bool_str_lower in ("true", "t", "yes", "y", "1"): + return True + else: + raise ValueError(f"Cannot interpret {bool_str} as bool") diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/ccd.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/ccd.py new file mode 100644 index 0000000000000000000000000000000000000000..1c585e30ca9c31ffc8f62ab86f1ff15703aa9000 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/ccd.py @@ -0,0 +1,450 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import functools +import logging +import pickle +from collections import defaultdict +from pathlib import Path +from typing import Any, Optional, Union + +import biotite +import biotite.structure as struc +import biotite.structure.io.pdbx as pdbx +import numpy as np +from biotite.structure import AtomArray +from rdkit import Chem + +from configs.configs_data import data_configs +from protenix.data.substructure_perms import get_substructure_perms + +logger = logging.getLogger(__name__) + +COMPONENTS_FILE = data_configs["ccd_components_file"] +RKDIT_MOL_PKL = Path(data_configs["ccd_components_rdkit_mol_file"]) + + +@functools.lru_cache +def biotite_load_ccd_cif() -> pdbx.CIFFile: + """biotite load CCD components file + + Returns: + pdbx.CIFFile: ccd components file + """ + return pdbx.CIFFile.read(COMPONENTS_FILE) + + +def _map_central_to_leaving_groups(component) -> Optional[dict[str, list[list[str]]]]: + """map each central atom (bonded atom) index to leaving atom groups in component (atom_array). + + Returns: + dict[str, list[list[str]]]: central atom name to leaving atom groups (atom names). + """ + comp = component.copy() + # Eg: ions + if comp.bonds is None: + return {} + central_to_leaving_groups = defaultdict(list) + for c_idx in np.flatnonzero(~comp.leaving_atom_flag): + bonds, _ = comp.bonds.get_bonds(c_idx) + for l_idx in bonds: + if comp.leaving_atom_flag[l_idx]: + comp.bonds.remove_bond(c_idx, l_idx) + group_idx = struc.find_connected(comp.bonds, l_idx) + if not np.all(comp.leaving_atom_flag[group_idx]): + return None + central_to_leaving_groups[comp.atom_name[c_idx]].append( + comp.atom_name[group_idx].tolist() + ) + return central_to_leaving_groups + + +@functools.lru_cache +def get_component_atom_array( + ccd_code: str, keep_leaving_atoms: bool = False, keep_hydrogens=False +) -> AtomArray: + """get component atom array + + Args: + ccd_code (str): ccd code + keep_leaving_atoms (bool, optional): keep leaving atoms. Defaults to False. + keep_hydrogens (bool, optional): keep hydrogens. Defaults to False. + + Returns: + AtomArray: Biotite AtomArray of CCD component + with additional attribute: leaving_atom_flag (bool) + """ + ccd_cif = biotite_load_ccd_cif() + if ccd_code not in ccd_cif: + logger.warning(f"Warning: get_component_atom_array() can not parse {ccd_code}") + return None + try: + comp = pdbx.get_component(ccd_cif, data_block=ccd_code, use_ideal_coord=True) + except biotite.InvalidFileError as e: + # Eg: UNL without atom. + logger.warning( + f"Warning: get_component_atom_array() can not parse {ccd_code} for {e}" + ) + return None + atom_category = ccd_cif[ccd_code]["chem_comp_atom"] + leaving_atom_flag = atom_category["pdbx_leaving_atom_flag"].as_array() + comp.set_annotation("leaving_atom_flag", leaving_atom_flag == "Y") + + for atom_id in ["alt_atom_id", "pdbx_component_atom_id"]: + comp.set_annotation(atom_id, atom_category[atom_id].as_array()) + if not keep_leaving_atoms: + comp = comp[~comp.leaving_atom_flag] + if not keep_hydrogens: + # EG: ND4 + comp = comp[~np.isin(comp.element, ["H", "D"])] + + # Map central atom index to leaving group (atom_indices) in component (atom_array). + comp.central_to_leaving_groups = _map_central_to_leaving_groups(comp) + if comp.central_to_leaving_groups is None: + logger.warning( + f"Warning: ccd {ccd_code} has leaving atom group bond to more than one central atom, central_to_leaving_groups is None." + ) + return comp + + +@functools.lru_cache(maxsize=None) +def get_one_letter_code(ccd_code: str) -> Union[str, None]: + """get one_letter_code from CCD components file. + + normal return is one letter: ALA --> A, DT --> T + unknown protein: X + unknown DNA or RNA: N + other unknown: None + some ccd_code will return more than one letter: + eg: XXY --> THG + + Args: + ccd_code (str): _description_ + + Returns: + str: one letter code + """ + ccd_cif = biotite_load_ccd_cif() + if ccd_code not in ccd_cif: + return None + one = ccd_cif[ccd_code]["chem_comp"]["one_letter_code"].as_item() + if one == "?": + return None + else: + return one + + +@functools.lru_cache(maxsize=None) +def get_mol_type(ccd_code: str) -> str: + """get mol_type from CCD components file. + + based on _chem_comp.type + http://mmcif.rcsb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_chem_comp.type.html + + not use _chem_comp.pdbx_type, because it is not consistent with _chem_comp.type + e.g. ccd 000 --> _chem_comp.type="NON-POLYMER" _chem_comp.pdbx_type="ATOMP" + https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v5_next.dic/Items/_struct_asym.pdbx_type.html + + Args: + ccd_code (str): ccd code + + Returns: + str: mol_type, one of {"protein", "rna", "dna", "ligand"} + """ + ccd_cif = biotite_load_ccd_cif() + if ccd_code not in ccd_cif: + return "ligand" + + link_type = ccd_cif[ccd_code]["chem_comp"]["type"].as_item().upper() + + if "PEPTIDE" in link_type and link_type != "PEPTIDE-LIKE": + return "protein" + if "DNA" in link_type: + return "dna" + if "RNA" in link_type: + return "rna" + return "ligand" + + +def get_all_ccd_code() -> list: + """get all ccd code from components file""" + ccd_cif = biotite_load_ccd_cif() + return list(ccd_cif.keys()) + + +_ccd_rdkit_mols: dict[str, Chem.Mol] = {} + + +def get_component_rdkit_mol(ccd_code: str) -> Union[Chem.Mol, None]: + """get rdkit mol by PDBeCCDUtils + https://github.com/PDBeurope/ccdutils + + preprocessing all ccd components in _components_file at first time run. + + Args: + ccd_code (str): ccd code + + Returns + rdkit.Chem.Mol: rdkit mol with ref coord + """ + global _ccd_rdkit_mols + # _ccd_rdkit_mols is not empty + if _ccd_rdkit_mols: + return _ccd_rdkit_mols.get(ccd_code, None) + + rdkit_mol_pkl = RKDIT_MOL_PKL + if rdkit_mol_pkl.exists(): + with open(rdkit_mol_pkl, "rb") as f: + _ccd_rdkit_mols = pickle.load(f) + return _ccd_rdkit_mols.get(ccd_code, None) + else: + raise FileNotFoundError( + f"CCD components file {rdkit_mol_pkl} not found, please download it to your DATA_ROOT_DIR before running." + "See https://github.com/bytedance/Protenix" + ) + + +@functools.lru_cache +def get_ccd_ref_info(ccd_code: str, return_perm: bool = True) -> dict[str, Any]: + """ + Ref: AlphaFold3 SI Chapter 2.8 + Reference features. Features derived from a residue, nucleotide or ligand’s reference conformer. + Given an input CCD code or SMILES string, the conformer is typically generated + with RDKit v.2023_03_3 [25] using ETKDGv3 [26]. On error, we fall back to using the CCD ideal coordinates, + or finally the representative coordinates + if they are from before our training date cut-off (2021-09-30 unless otherwise stated). + At the end, any atom coordinates still missing are set to zeros. + + Get reference atom mapping and coordinates. + + Args: + name (str): CCD name + return_perm (bool): return atom permutations. + + Returns: + Dict: + ccd: ccd code + atom_map: atom name to atom index + coord: atom coordinates + charge: atom formal charge + perm: atom permutation + """ + mol = get_component_rdkit_mol(ccd_code) + if mol is None: + return {} + if mol.GetNumAtoms() == 0: # eg: "UNL" + logger.warning( + f"Warning: mol {ccd_code} from get_component_rdkit_mol() has no atoms," + "get_ccd_ref_info() return empty dict" + ) + return {} + conf = mol.GetConformer(mol.ref_conf_id) + coord = conf.GetPositions() + charge = np.array([atom.GetFormalCharge() for atom in mol.GetAtoms()]) + + results = { + "ccd": ccd_code, # str + "atom_map": mol.atom_map, # dict[str,int]: atom name to atom index + "coord": coord, # np.ndarray[float]: atom coordinates, shape:(n_atom,3) + "mask": mol.ref_mask, # np.ndarray[bool]: atom mask, shape:(n_atom,) + "charge": charge, # np.ndarray[int]: atom formal charge, shape:(n_atom,) + } + + if return_perm: + try: + Chem.SanitizeMol(mol) + perm = get_substructure_perms(mol, MaxMatches=1000) + + except: + # Sanitize failed, permutation is unavailable + perm = np.array( + [ + [ + i + for i, atom in enumerate(mol.GetAtoms()) + if atom.GetAtomicNum() != 1 + ] + ] + ) + # np.ndarray[int]: atom permutation, shape:(n_atom_wo_h, n_perm) + results["perm"] = perm.T + + return results + + +# Modified from biotite to use consistent ccd components file +def _connect_inter_residue( + atoms: AtomArray, residue_starts: np.ndarray +) -> struc.BondList: + """ + Create a :class:`BondList` containing the bonds between adjacent + amino acid or nucleotide residues. + + Parameters + ---------- + atoms : AtomArray or AtomArrayStack + The structure to create the :class:`BondList` for. + residue_starts : ndarray, dtype=int + Return value of + ``get_residue_starts(atoms, add_exclusive_stop=True)``. + + Returns + ------- + BondList + A bond list containing all inter residue bonds. + """ + + bonds = [] + + atom_names = atoms.atom_name + res_names = atoms.res_name + res_ids = atoms.res_id + chain_ids = atoms.chain_id + + # Iterate over all starts excluding: + # - the last residue and + # - exclusive end index of 'atoms' + for i in range(len(residue_starts) - 2): + curr_start_i = residue_starts[i] + next_start_i = residue_starts[i + 1] + after_next_start_i = residue_starts[i + 2] + + # Check if the current and next residue is in the same chain + if chain_ids[next_start_i] != chain_ids[curr_start_i]: + continue + # Check if the current and next residue + # have consecutive residue IDs + # (Same residue ID is also possible if insertion code is used) + if res_ids[next_start_i] - res_ids[curr_start_i] > 1: + continue + + # Get link type for this residue from RCSB components.cif + curr_link = get_mol_type(res_names[curr_start_i]) + next_link = get_mol_type(res_names[next_start_i]) + + if curr_link == "protein" and next_link in "protein": + curr_connect_atom_name = "C" + next_connect_atom_name = "N" + elif curr_link in ["dna", "rna"] and next_link in ["dna", "rna"]: + curr_connect_atom_name = "O3'" + next_connect_atom_name = "P" + else: + # Create no bond if the connection types of consecutive + # residues are not compatible + continue + + # Index in atom array for atom name in current residue + # Addition of 'curr_start_i' is necessary, as only a slice of + # 'atom_names' is taken, beginning at 'curr_start_i' + curr_connect_indices = np.where( + atom_names[curr_start_i:next_start_i] == curr_connect_atom_name + )[0] + curr_connect_indices += curr_start_i + + # Index in atom array for atom name in next residue + next_connect_indices = np.where( + atom_names[next_start_i:after_next_start_i] == next_connect_atom_name + )[0] + next_connect_indices += next_start_i + + if len(curr_connect_indices) == 0 or len(next_connect_indices) == 0: + # The connector atoms are not found in the adjacent residues + # -> skip this bond + continue + + bonds.append( + (curr_connect_indices[0], next_connect_indices[0], struc.BondType.SINGLE) + ) + + return struc.BondList(atoms.array_length(), np.array(bonds, dtype=np.uint32)) + + +def add_inter_residue_bonds( + atom_array: AtomArray, + exclude_struct_conn_pairs: bool = False, + remove_far_inter_chain_pairs: bool = False, +) -> AtomArray: + """ + add polymer bonds (C-N or O3'-P) between adjacent residues based on auth_seq_id. + + exclude_struct_conn_pairs: if True, do not add bond between adjacent residues already has non-standard polymer bonds + on atom C or N or O3' or P. + + remove_far_inter_chain_pairs: if True, remove inter chain (based on label_asym_id) bonds that are far away from each other. + + returns: + AtomArray: Biotite AtomArray merged inter residue bonds into atom_array.bonds + """ + res_starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + inter_bonds = _connect_inter_residue(atom_array, res_starts) + + if atom_array.bonds is None: + atom_array.bonds = inter_bonds + return atom_array + + select_mask = np.ones(len(inter_bonds._bonds), dtype=bool) + if exclude_struct_conn_pairs: + for b_idx, (atom_i, atom_j, b_type) in enumerate(inter_bonds._bonds): + atom_k = atom_i if atom_array.atom_name[atom_i] in ("N", "O3'") else atom_j + bonds, types = atom_array.bonds.get_bonds(atom_k) + if len(bonds) == 0: + continue + for b in bonds: + if ( + # adjacent residues + abs((res_starts <= b).sum() - (res_starts <= atom_k).sum()) == 1 + and atom_array.chain_id[b] == atom_array.chain_id[atom_k] + and atom_array.atom_name[b] not in ("C", "P") + ): + select_mask[b_idx] = False + break + + if remove_far_inter_chain_pairs: + if not hasattr(atom_array, "label_asym_id"): + logging.warning( + "label_asym_id not found, far inter chain bonds will not be removed" + ) + for b_idx, (atom_i, atom_j, b_type) in enumerate(inter_bonds._bonds): + if atom_array.label_asym_id[atom_i] != atom_array.label_asym_id[atom_j]: + coord_i = atom_array.coord[atom_i] + coord_j = atom_array.coord[atom_j] + if np.linalg.norm(coord_i - coord_j) > 2.5: + select_mask[b_idx] = False + + # filter out removed_inter_bonds from atom_array.bonds + remove_bonds = inter_bonds._bonds[~select_mask] + remove_mask = np.isin(atom_array.bonds._bonds[:, 0], remove_bonds[:, 0]) & np.isin( + atom_array.bonds._bonds[:, 1], remove_bonds[:, 1] + ) + atom_array.bonds._bonds = atom_array.bonds._bonds[~remove_mask] + + # merged normal inter_bonds into atom_array.bonds + inter_bonds._bonds = inter_bonds._bonds[select_mask] + atom_array.bonds = atom_array.bonds.merge(inter_bonds) + return atom_array + + +def res_names_to_sequence(res_names: list[str]) -> str: + """convert res_names to sequences {chain_id: canonical_sequence} based on CCD + + Return + str: canonical_sequence + """ + seq = "" + for res_name in res_names: + one = get_one_letter_code(res_name) + one = "X" if one is None else one + one = "X" if len(one) > 1 else one + seq += one + return seq diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/constants.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/constants.py new file mode 100644 index 0000000000000000000000000000000000000000..4e786a83999d5ab463f24ad7f6922e044bda9398 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/constants.py @@ -0,0 +1,964 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +EvaluationChainInterface = [ + "intra_ligand", + "intra_dna", + "intra_rna", + "intra_prot", + "ligand_prot", + "rna_prot", + "dna_prot", + "prot_prot", + "antibody_antigen", + "antibody", +] + +EntityPolyTypeDict = { + "nuc": [ + "peptide nucleic acid", + "polydeoxyribonucleotide", + "polydeoxyribonucleotide/polyribonucleotide hybrid", + "polyribonucleotide", + ], + "protein": ["polypeptide(D)", "polypeptide(L)"], + "ligand": ["cyclic-pseudo-peptide", "other"], +} + + +### Protein Constants ### +# https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v40.dic/Items/_entity_poly.pdbx_seq_one_letter_code_can.html +from rdkit.Chem import GetPeriodicTable + +mmcif_restype_1to3 = { + "A": "ALA", + "R": "ARG", + "N": "ASN", + "D": "ASP", + "C": "CYS", + "Q": "GLN", + "E": "GLU", + "G": "GLY", + "H": "HIS", + "I": "ILE", + "L": "LEU", + "K": "LYS", + "M": "MET", + "F": "PHE", + "P": "PRO", + "S": "SER", + "T": "THR", + "W": "TRP", + "Y": "TYR", + "V": "VAL", + "B": "ASX", # additional + "Z": "GLX", # additional + # "X": "UNK", +} + +mmcif_restype_3to1 = {v: k for k, v in mmcif_restype_1to3.items()} + +""" +vdw table from rdkit; indices match those of the ligand atom_types. +https://github.com/rdkit/rdkit/blob/master/Code/GraphMol/atomic_data.cpp#L46 +""" + +rdkit_vdws = [ + 1.2, + 1.4, + 2.2, + 1.9, + 1.8, + 1.7, + 1.6, + 1.55, + 1.5, + 1.54, + 2.4, + 2.2, + 2.1, + 2.1, + 1.95, + 1.8, + 1.8, + 1.88, + 2.8, + 2.4, + 2.3, + 2.15, + 2.05, + 2.05, + 2.05, + 2.05, + 2.0, + 2.0, + 2.0, + 2.1, + 2.1, + 2.1, + 2.05, + 1.9, + 1.9, + 2.02, + 2.9, + 2.55, + 2.4, + 2.3, + 2.15, + 2.1, + 2.05, + 2.05, + 2.0, + 2.05, + 2.1, + 2.2, + 2.2, + 2.25, + 2.2, + 2.1, + 2.1, + 2.16, + 3.0, + 2.7, + 2.5, + 2.48, + 2.47, + 2.45, + 2.43, + 2.42, + 2.4, + 2.38, + 2.37, + 2.35, + 2.33, + 2.32, + 2.3, + 2.28, + 2.27, + 2.25, + 2.2, + 2.1, + 2.05, + 2.0, + 2.0, + 2.05, + 2.1, + 2.05, + 2.2, + 2.3, + 2.3, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.4, + 2.0, + 2.3, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, + 2.0, +] + + +""" +atom37 vdw table. Orders match atom37 indices. Note: the vdw's for N and O are different from rdkit_van_der_waals in this file. +We used the rdkit values for consistency. +Ref to https://github.com/aqlaboratory/openfold/blob/80c85b54e1a81d9a66df3f1b6c257ff97f10acd3/openfold/utils/loss.py#L1208C5-L1211C6 +rdkit_van_der_waals_radius = { + "C": 1.7, + "N": 1.6, + "O": 1.55, + "S": 1.8, +} + +atom37_vdw = [ + rdkit_van_der_waals_radius[name[0]] + for name in residue_constants.atom_types + ] + +""" +atom37_vdw = [ + 1.55, + 1.7, + 1.7, + 1.7, + 1.52, + 1.7, + 1.7, + 1.7, + 1.52, + 1.52, + 1.8, + 1.7, + 1.7, + 1.7, + 1.55, + 1.55, + 1.52, + 1.52, + 1.8, + 1.7, + 1.7, + 1.7, + 1.7, + 1.55, + 1.55, + 1.55, + 1.52, + 1.52, + 1.7, + 1.55, + 1.55, + 1.52, + 1.7, + 1.7, + 1.7, + 1.55, + 1.52, +] + + +# Standard residues (AlphaFold3 SI Talbe 13) +PRO_STD_RESIDUES = { + "ALA": 0, + "ARG": 1, + "ASN": 2, + "ASP": 3, + "CYS": 4, + "GLN": 5, + "GLU": 6, + "GLY": 7, + "HIS": 8, + "ILE": 9, + "LEU": 10, + "LYS": 11, + "MET": 12, + "PHE": 13, + "PRO": 14, + "SER": 15, + "THR": 16, + "TRP": 17, + "TYR": 18, + "VAL": 19, + "UNK": 20, +} + +RNA_STD_RESIDUES = { + "A": 21, + "G": 22, + "C": 23, + "U": 24, + "N": 29, +} + +DNA_STD_RESIDUES = { + "DA": 25, + "DG": 26, + "DC": 27, + "DT": 28, + "DN": 30, +} + +STD_RESIDUES = PRO_STD_RESIDUES | RNA_STD_RESIDUES | DNA_STD_RESIDUES + +rna_order_with_x = { + "A": 0, + "G": 1, + "C": 2, + "U": 3, + "N": 4, +} + +RNA_NT_TO_ID = { + "A": 0, + "G": 1, + "C": 2, + "U": 3, + "N": 4, + "R": 4, # A or G + "Y": 4, # C or U + "S": 4, # G or C + "W": 4, # A or U + "K": 4, # G or U + "M": 4, # A or C + "B": 4, # C, G, U + "D": 4, # A, G, U + "H": 4, # A, C, U + "V": 4, # A, C, G + "X": 4, + "I": 4, + "T": 4, + "-": 5, +} + +# Partial inversion of RNA_NT_TO_ID +RNA_ID_TO_NT = { + 0: "A", + 1: "G", + 2: "C", + 3: "U", + 4: "N", # Also R, Y, S, W, K, M, B, D, H + 5: "-", +} + + +def get_all_elems(): + """ + Retrieve a list of all element symbols from the RDKit periodic table up to a specified cutoff. + + Returns: + list: A list of element symbols strings. + """ + elem_list = [] + pt = GetPeriodicTable() + for i in range(1, 119): + elem_list.append(pt.GetElementSymbol(i).upper()) + + # 128 elements in the AlphaFold3 SI Table 5 ref_element + elem_list += [f"UNK_ELEM_{i}" for i in range(119, 129)] + return elem_list + + +# len(STD_RESIDUES) + Atomic number up to 118 + 10 UNK_ELEM +ELEMS = dict([(i, len(STD_RESIDUES) + idx) for idx, i in enumerate(get_all_elems())]) + +RES_ATOMS_DICT = { + "ALA": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "OXT": 5}, + "ARG": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD": 6, + "NE": 7, + "CZ": 8, + "NH1": 9, + "NH2": 10, + "OXT": 11, + }, + "ASN": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "OD1": 6, + "ND2": 7, + "OXT": 8, + }, + "ASP": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "OD1": 6, + "OD2": 7, + "OXT": 8, + }, + "CYS": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "SG": 5, "OXT": 6}, + "GLN": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD": 6, + "OE1": 7, + "NE2": 8, + "OXT": 9, + }, + "GLU": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD": 6, + "OE1": 7, + "OE2": 8, + "OXT": 9, + }, + "GLY": {"N": 0, "CA": 1, "C": 2, "O": 3, "OXT": 4}, + "HIS": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "ND1": 6, + "CD2": 7, + "CE1": 8, + "NE2": 9, + "OXT": 10, + }, + "ILE": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG1": 5, + "CG2": 6, + "CD1": 7, + "OXT": 8, + }, + "LEU": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD1": 6, + "CD2": 7, + "OXT": 8, + }, + "LYS": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD": 6, + "CE": 7, + "NZ": 8, + "OXT": 9, + }, + "MET": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "SD": 6, + "CE": 7, + "OXT": 8, + }, + "PHE": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD1": 6, + "CD2": 7, + "CE1": 8, + "CE2": 9, + "CZ": 10, + "OXT": 11, + }, + "PRO": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "CG": 5, "CD": 6, "OXT": 7}, + "SER": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "OG": 5, "OXT": 6}, + "THR": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "OG1": 5, "CG2": 6, "OXT": 7}, + "TRP": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD1": 6, + "CD2": 7, + "NE1": 8, + "CE2": 9, + "CE3": 10, + "CZ2": 11, + "CZ3": 12, + "CH2": 13, + "OXT": 14, + }, + "TYR": { + "N": 0, + "CA": 1, + "C": 2, + "O": 3, + "CB": 4, + "CG": 5, + "CD1": 6, + "CD2": 7, + "CE1": 8, + "CE2": 9, + "CZ": 10, + "OH": 11, + "OXT": 12, + }, + "VAL": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "CG1": 5, "CG2": 6, "OXT": 7}, + "UNK": {"N": 0, "CA": 1, "C": 2, "O": 3, "CB": 4, "CG": 5, "OXT": 6}, + "DA": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "C1'": 11, + "N9": 12, + "C8": 13, + "N7": 14, + "C5": 15, + "C6": 16, + "N6": 17, + "N1": 18, + "C2": 19, + "N3": 20, + "C4": 21, + }, + "DC": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "C1'": 11, + "N1": 12, + "C2": 13, + "O2": 14, + "N3": 15, + "C4": 16, + "N4": 17, + "C5": 18, + "C6": 19, + }, + "DG": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "C1'": 11, + "N9": 12, + "C8": 13, + "N7": 14, + "C5": 15, + "C6": 16, + "O6": 17, + "N1": 18, + "C2": 19, + "N2": 20, + "N3": 21, + "C4": 22, + }, + "DT": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "C1'": 11, + "N1": 12, + "C2": 13, + "O2": 14, + "N3": 15, + "C4": 16, + "O4": 17, + "C5": 18, + "C7": 19, + "C6": 20, + }, + "DN": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "C1'": 11, + }, + "A": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "O2'": 11, + "C1'": 12, + "N9": 13, + "C8": 14, + "N7": 15, + "C5": 16, + "C6": 17, + "N6": 18, + "N1": 19, + "C2": 20, + "N3": 21, + "C4": 22, + }, + "C": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "O2'": 11, + "C1'": 12, + "N1": 13, + "C2": 14, + "O2": 15, + "N3": 16, + "C4": 17, + "N4": 18, + "C5": 19, + "C6": 20, + }, + "G": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "O2'": 11, + "C1'": 12, + "N9": 13, + "C8": 14, + "N7": 15, + "C5": 16, + "C6": 17, + "O6": 18, + "N1": 19, + "C2": 20, + "N2": 21, + "N3": 22, + "C4": 23, + }, + "U": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "O2'": 11, + "C1'": 12, + "N1": 13, + "C2": 14, + "O2": 15, + "N3": 16, + "C4": 17, + "O4": 18, + "C5": 19, + "C6": 20, + }, + "N": { + "OP3": 0, + "P": 1, + "OP1": 2, + "OP2": 3, + "O5'": 4, + "C5'": 5, + "C4'": 6, + "O4'": 7, + "C3'": 8, + "O3'": 9, + "C2'": 10, + "O2'": 11, + "C1'": 12, + }, +} + +CRYSTALLIZATION_AIDS = ( + "SO4", + "GOL", + "EDO", + "PO4", + "ACT", + "PEG", + "DMS", + "TRS", + "PGE", + "PG4", + "FMT", + "EPE", + "MPD", + "MES", + "CD", + "IOD", +) + +PROT_STD_RESIDUES_ONE_TO_THREE = { + "A": "ALA", + "R": "ARG", + "N": "ASN", + "D": "ASP", + "C": "CYS", + "Q": "GLN", + "E": "GLU", + "G": "GLY", + "H": "HIS", + "I": "ILE", + "L": "LEU", + "K": "LYS", + "M": "MET", + "F": "PHE", + "P": "PRO", + "S": "SER", + "T": "THR", + "W": "TRP", + "Y": "TYR", + "V": "VAL", + "X": "UNK", +} + +CRYSTALLIZATION_AIDS = ( + "SO4", + "GOL", + "EDO", + "PO4", + "ACT", + "PEG", + "DMS", + "TRS", + "PGE", + "PG4", + "FMT", + "EPE", + "MPD", + "MES", + "CD", + "IOD", +) + + +### Molecule Constants ### +# AlphaFold3 SI Tabel 9 +LIGAND_EXCLUSION = {'144', 'SEP', 'PG0', 'BEN', 'NH4', 'PO4', '3SY', 'BO3', 'UNL', 'MES', 'FLC', 'PGR', '15P', 'MYR', + 'POL', 'CIT', 'N', 'SPD', 'CAQ', 'IPA', 'EGL', 'SAR', 'NO3', 'STU', 'NHE', 'BU1', 'OXA', 'TPO', + 'EEE', 'CAD', 'CBM', 'SPM', 'BCN', 'FMT', 'PEP', 'CM', 'BAM', 'ETF', 'IOD', 'MLI', 'MRD', 'SCN', + 'GSH', 'CCN', 'SR', '1PE', 'ACY', 'STE', '9JE', 'SEO', 'IHS', 'MLA', 'TBU', 'DEP', 'STO', 'ACE', + 'NA', 'TRS', 'CPT', 'OHE', 'TME', 'CL', 'BME', 'DN', '3HR', 'LDA', 'SO4', 'MPD', 'OLC', 'DOD', + 'PE4', 'DOX', 'CMO', 'POP', 'PG4', '2F2', 'DMS', 'IMD', 'NH2', 'EOX', 'IPH', 'ACT', '7PE', 'UNX', + 'GTT', '7N5', 'AZI', 'FCY', 'SIN', 'AAE', 'BTB', 'BTC', 'PGE', 'PE3', 'MB3', 'EDO', 'PLM', 'BCT', + 'EOH', 'P6G', 'ACN', 'D10', 'EPE', 'DIO', 'CO3', 'PVO', 'TAR', 'URE', 'BDN', 'GOL', 'MSE', 'HED', + 'CLR', 'MEG', 'IHP', 'PEO', 'CXS', 'MOH', 'GYF', 'PEG', 'FJO', 'FW5', 'OLA', '2JC', 'ABA', 'O4B', + 'UPL', 'OME', 'C8E', 'OMB', 'UNK'} # fmt: skip + + +# AlphaFold3 SI Tabel 11 +GLYCANS = {'79J', 'LXZ', 'KO1', 'Z57', 'XDX', '8OQ', 'G0S', '14T', 'ZB3', '9PG', 'BGL', 'GYU', 'AHG', 'SUC', 'ADA', 'NGR', + '4R1', 'EBQ', 'GAF', 'NAA', 'GYP', 'NDG', 'U2D', 'ISL', '9GP', 'KDM', 'HSX', 'NYT', 'V3P', '4NN', 'Z3L', 'ZCZ', + 'D5E', 'RIP', '3LR', 'GL1', 'K99', 'MQG', 'RAM', 'TUP', 'KDB', 'SIO', 'Z5L', 'GUL', 'GU2', 'EQV', '0V4', 'ABD', + 'RY7', '5II', 'GAL', '2GL', 'DR5', '4RS', 'MNA', 'DFX', '0WK', 'HTG', 'RP5', 'A1Q', 'B1N', 'GUF', 'NGA', 'TMR', + 'C3X', '9S7', 'XLS', 'MAG', 'RST', 'SDY', 'HSH', 'GN4', 'GTR', 'KBA', '6YR', 'CKB', 'DDA', 'RHC', 'OPM', 'SIZ', + 'GE3', 'TS8', 'Z6W', 'BZD', '56N', 'RIB', 'GL6', '8GA', 'GLC', 'TAG', 'QIF', 'TA6', 'UAP', 'TVY', 'GC1', 'ARW', + 'GU3', 'LBS', 'KDD', 'NPF', '49V', 'CDR', '12E', '6LA', '2M4', 'SA0', 'HNW', 'AOG', 'G8Z', '8LR', 'GPH', 'XXX', + 'GPM', 'MTT', 'JFZ', 'LOG', 'LMO', '5TH', '8I4', 'GUP', '5KQ', 'R2G', 'SSG', 'P8E', 'RF5', 'TOC', 'CT3', '2FL', + '73E', 'VJ4', '0H0', 'ERI', 'AMG', '3GR', 'BO1', 'AFD', 'FYJ', 'IDF', 'NBY', 'DOM', 'MBF', 'QDK', 'TDG', '6GR', + 'MAV', '1X4', 'AF1', 'EEN', 'ZB1', 'Z2D', '445', 'KHP', 'LKS', '10M', '491', 'OTU', 'BNG', 'AY9', 'KDR', 'LEC', + 'FFX', 'AFO', 'SGA', '16F', 'X34', 'SEJ', 'LAG', 'DNO', '6PZ', 'LBT', 'OSU', '3BU', '6K3', 'SFU', 'YDR', 'SIA', + '2WP', '25E', 'SMD', 'NBG', 'DO8', 'LGU', 'S81', 'Z3Q', 'TWA', 'G6S', '2WS', 'G6D', '18D', 'IN1', '64K', 'QPS', + 'PTQ', 'FX1', 'RVM', '8GP', 'NLC', 'FCA', 'JLT', 'AH8', 'MFB', 'RRJ', 'SOL', 'TM5', 'TCB', 'GU5', 'TWY', 'ETT', + '8YV', 'SG6', 'XMM', '17T', 'BGC', 'MLR', 'Z6J', '9SJ', 'R2B', 'BBK', 'BEM', 'LTG', '0NZ', 'DKZ', '3YW', 'ASO', + 'FUB', '4GL', 'GLT', 'KTU', 'CBF', 'ARI', 'FIF', 'LCN', 'SG5', 'AC1', 'SUP', 'ZMR', 'GU8', 'YYH', 'XKJ', 'JSV', + 'DQR', 'M6D', 'FBP', 'AFP', 'F6P', 'GLG', 'JZR', 'DLG', '9C1', 'AAL', 'RRY', 'ZDC', 'TVS', 'B1H', 'XXM', '8B7', + 'RCD', 'UBO', '7D1', 'XYT', 'WZ2', 'X1X', 'LRH', 'GDA', 'GLS', 'G6P', '49A', 'NM9', 'DVC', 'MG5', 'SCR', 'MAF', + '149', 'LFC', 'FMF', 'FRU', 'BG8', 'GP4', 'GU1', 'XXR', '4V5', 'MA2', '293', '6KH', 'GAA', 'MXY', 'QV4', 'MSX', + 'GU6', '95Z', 'Z9M', 'ARB', 'FNY', 'H1S', 'VG1', 'VTB', 'Z61', 'H6Z', '7K3', 'XGP', 'SOE', 'Z6H', 'GYV', 'MLB', + 'DR3', 'ISD', 'BGN', 'AXR', 'SCG', 'Z8T', '6UD', 'KDF', 'GLA', 'BNX', '3MG', 'BDP', 'KFN', 'Z9N', '2FG', 'PNA', + 'MUB', 'ZDO', '9WJ', 'GMB', 'LER', 'TVM', '89Y', 'Z4Y', '9SM', 'NGS', 'LAO', 'KGM', 'FKD', 'M1F', 'BG6', 'LAK', + '8GG', '6LS', 'GBH', 'CEG', 'BDR', 'RR7', 'SOG', 'AZC', 'AMU', 'BS7', '3S6', 'MXZ', 'Z3U', 'MDP', '6MJ', 'M3M', + 'DT6', 'PRP', 'TUG', 'Z16', 'IDG', 'TUR', 'Z4S', 'GM0', 'A0K', 'GCN', 'ZEE', 'UEA', 'HVC', 'CE5', 'FUD', 'NAG', + 'GPO', '22S', '3J4', 'DKX', 'FMO', 'BXP', 'NSQ', '50A', 'MAT', '5TM', '0MK', '9OK', 'RI2', 'SZZ', 'IDS', 'JRV', + '18O', '1CF', 'RAO', 'P53', '27C', 'Z3K', 'Z4U', 'Z4R', 'B4G', '6KU', 'HBZ', '07E', 'KBG', '98U', 'GFP', 'LFR', + 'G2F', '51N', 'FUF', 'LGC', '6S2', 'E3M', 'G7P', 'OTN', 'MVP', 'TVD', 'BBV', 'E5G', 'MJJ', 'IEM', 'FSA', 'CE8', + 'U1Y', '1FT', 'HTM', 'DLD', 'YO5', 'W9T', '5N6', 'PNG', 'NGY', 'DSR', 'M3N', 'GP0', '3MK', 'RBL', 'GTM', 'FSW', + '4JA', 'YYM', 'Z4V', '3HD', '2DR', 'AIG', 'GL0', 'BND', 'TM6', 'TUJ', 'DAN', '5GF', '4QY', '3FM', '6KW', 'LNV', + '289', 'BFN', 'PSG', 'U9J', 'YX0', 'EQP', 'YZ0', '0BD', 'GAT', 'LVZ', 'FUL', '22O', 'DLF', 'MA1', 'BXY', 'C3G', + 'CR6', 'GNS', 'EEQ', 'IDY', 'FFC', 'NBX', 'SID', '9KJ', '9WZ', 'M2F', 'FK9', 'SSH', 'TWG', 'RVG', 'BXX', '24S', + 'FSM', 'GDL', 'F1X', '3R3', 'ALX', '4GC', 'GL2', 'DL6', 'GS1', 'AMV', 'TVV', '2DG', 'RGG', 'TFU', '1GN', 'N3U', + 'SOR', 'MA3', 'GCT', 'H1M', '16G', '49T', 'BCD', 'GPW', 'DAG', 'GN1', 'IAB', 'EBG', 'GPU', '38J', '1LL', 'DR2', + 'YIO', 'YKR', '15L', 'WZ1', 'BTG', 'GPK', '5MM', '26O', 'AMN', 'DEL', 'CTT', '83Y', 'GMT', 'CTO', 'MBE', '1SD', + '6ZC', 'AXP', 'OX2', '5LT', 'MRH', '6BG', 'MDA', 'SG7', '045', 'GC4', 'LDY', 'YYJ', '07Y', 'KDO', 'GP1', 'BHG', + 'DPC', 'BM3', 'GU4', 'ISX', 'P6P', 'GPQ', '1S4', '475', 'GYE', 'CBK', 'CEZ', 'SGD', 'TH1', 'V3M', 'RWI', 'RM4', + 'U9M', 'U2A', '7GP', '05L', 'Z0F', 'GLO', 'LXB', 'TGA', '61J', 'GYG', 'GCU', 'GE1', 'F1P', 'GLP', 'CTR', 'AHR', + '3LJ', 'FUY', 'JVA', 'LAT', 'NHF', 'RB5', 'XYS', 'LXC', 'SLT', 'U8V', 'GMH', 'EAG', 'GCV', 'B6D', 'IDU', 'KG1', + 'BDF', 'NTP', 'IXD', 'RZM', 'PH5', 'SHB', 'X6Y', 'B16', 'Z9E', '9VP', 'LAH', 'H2P', 'TNX', '5GO', 'TGY', '5SP', + 'RHA', '5KV', 'GTK', 'SUS', 'DAF', '6DM', '8S0', '6MN', 'G4D', 'NT1', 'XYF', '5TJ', '46Z', '9AM', '7K2', '6C2', + 'WIA', '9YW', 'G4S', '46D', 'Z9W', 'ABL', 'XYZ', 'G3I', 'S7P', 'GC9', 'GQ1', 'GCO', 'M6P', 'WUN', 'U63', 'ZB2', + 'GLD', 'T6P', 'ZEL', '145', '2OS', 'BGP', 'C4W', 'IDX', 'MUR', '3SA', 'CR1', '34V', 'DEG', 'F55', 'L0W', 'TYV', + 'CJB', 'TW7', 'DDL', '5L3', 'NGC', 'ACX', 'JVS', 'NA1', 'GAD', '7JZ', 'BOG', 'GCW', 'BDG', 'Z15', '0LP', 'ABE', + 'RG1', 'DGU', 'N1L', 'NGE', 'PUF', 'B9D', '49S', '5LS', '4N2', '23V', 'RUU', 'B0D', 'RTV', '42D', 'M1P', 'MAB', + '2F8', 'TQY', 'L6S', 'V71', '2H5', 'M8C', 'NTF', 'H3S', 'LM2', 'MN0', 'JV4', '9WN', 'U9G', 'LZ0', 'X0X', 'TXB', + '3DO', 'SG4', 'IDR', '8B9', 'TOA', 'CRA', 'HSJ', '0HX', 'FDQ', 'FUC', 'ABF', 'ALL', 'G20', 'GL9', 'IDC', 'LOX', + 'Z2T', 'RP6', '2HA', 'AHM', 'DRI', 'EMZ', 'GMZ', 'HD4', 'GU9', 'L1L', 'PNW', 'PPC', 'MMA', 'CE6', '5KS', 'MGC', + 'XLF', 'KO2', 'RUG', 'HSG', 'SF6', 'IPT', 'TF0', 'GCD', 'B8D', '0YT', 'GRX', 'HNV', 'FVQ', 'RV7', 'J5B', 'ERE', + 'DFR', 'LVO', '4GP', 'BQY', 'BMA', 'KDA', 'ARA', 'KDN', 'ZCD', 'A5C', 'T68', 'XYL', 'YJM', 'NM6', '9CD', 'CNP', + 'U97', '9T1', 'C5X', 'R1X', 'BW3', '09X', 'GNX', 'PDX', 'Z9D', 'DGO', 'SLM', '66O', '4CQ', 'X6X', 'RTG', 'HSY', + '20X', 'GCB', 'EUS', 'FNG', '1S3', 'EGA', 'MQT', 'NXD', '5TK', 'Z9K', 'TGR', '9MR', 'M7P', 'PA1', 'MFU', 'UBH', + 'CBI', 'TMX', 'T6D', '32O', 'JHM', 'X2F', '4SG', '3DY', 'SGC', 'PAV', 'A2G', 'LAI', '0UB', 'BXF', '3J3', '9T7', + 'T6T', 'OI7', 'ANA', '9QG', 'K5B', 'KOT', 'GIV', 'MGL', 'GL4', '9SP', 'FDP', 'GPV', '6KS', 'GXV', 'NFG', 'M7B', + 'DG0', '57S', 'GUZ', '96O', 'GCS', 'MAN', 'YYB', 'TWD', 'MGS', 'TT7', 'PNJ', 'GXL', 'TRE', 'G28', '7NU', '8PK', + 'LKA', 'ASG', 'SF9', '2M8', '1GL', '5KT', 'BWG', 'OTG', 'VJ1', 'ZGE', '40J', 'Z4K', 'F58', 'KME', 'SR1', 'ZB0', + 'UDC', '6KL', '6LW', '8EX', 'D1M', '62I', 'H6Q', 'RAE', 'SHD', 'AGL', 'DGS', 'VKN', 'TWJ', 'MRP', 'TGK', 'HSQ', + 'ASC', 'F8X', '6GB', '0XY', 'BMX', 'SN5', 'Z5J', 'ZD0', 'DJB', 'KDE', 'TEU', 'M55', 'YYQ', 'DK4', 'D6G', 'KD5', + 'AH2', '4AM', 'RER', '16O', 'C3B', 'G1P', 'NG6', 'MBG', 'Z4W', 'MAW', '147', 'NGK', 'CKP', 'DJE', 'GL5', 'TVG', + 'PKM', 'L6T', 'XS2', '2GS', 'BTU', 'G16', 'PSV', 'AQA', 'MCU', 'SNG', '2M5', 'SLB', 'BM7', 'H53', 'MA8', 'OAK', + 'GRF', 'BGS', 'NTO', 'YYK', 'EPG', '6GP', 'MYG', 'FCT', 'Z9H', 'GL7', '48Z', '4UZ', '7CV', 'DYM', 'GLF', 'GU0', + 'CGF', 'STZ', '44S', 'LB2', 'TU4', 'Z8H', '5QP', 'A6P', 'XYP', 'B2G', 'U9A', 'SWE', 'NGZ', 'SGN', 'B7G', 'MAL', + '291', 'FSI', 'R1P', 'ACR', 'PZU', 'X2Y', 'Z9L', 'STW', 'U9D', 'X1P', 'TTV', 'GS9', 'QKH', 'SHG', 'N9S', 'NNG', + 'RP3', 'G3F', 'YX1', 'EMP', 'XIL', '08U', 'WOO', 'FCB', 'NG1', 'TRV', '20S', 'RAF', 'GZL', 'C4B', '9SG', 'GAC'} # fmt: skip + + +# AlphaFold3 SI Tabel 12 +IONS = {'XGP', 'Z4K', '147', 'B0D', 'G6D', 'RIB', 'AXR', 'SOG', 'NTF', 'SHB', 'RG1', 'G6S', 'GPO', 'BTG', '5LT', 'CEG', 'KG1', + 'TDG', 'TRV', 'WZ1', 'ARI', 'HVC', 'TM6', '2DG', '6K3', 'ARA', 'ASO', '6GB', 'NBX', 'OTG', 'ASG', 'YO5', 'MRH', 'GYP', + 'C4B', 'GDA', 'MUB', 'XXM', 'M6D', 'OPM', 'GYV', 'DKX', '9SG', 'LOG', 'TRE', 'DLG', 'FNG', 'BBK', 'ABF', 'AQA', '3BU', + 'SIA', 'CGF', 'LBS', 'QV4', 'NAA', 'GLC', 'BHG', 'MSX', 'ZB1', 'YYJ', 'TUP', '6ZC', '0WK', 'RY7', 'L1L', 'RRY', 'M55', + '9PG', '5GF', '4V5', 'FMO', 'SWE', 'KDA', 'P8E', '14T', 'DL6', 'CKB', '2M8', 'AHR', 'NGY', '8GP', 'YYQ', 'LVO', 'CRA', + 'GU9', 'PPC', '6GP', 'CR1', 'G20', 'T6P', 'EMZ', 'RHA', 'GC4', 'AH2', 'FCT', 'QDK', 'DDA', 'RTV', '8S0', 'TVG', 'HNV', + 'FYJ', 'BDP', 'GYE', 'TS8', 'CEZ', '42D', 'NHF', 'NT1', 'WOO', '0LP', 'HBZ', 'SG5', 'NM9', 'CJB', 'DLF', 'EUS', 'IDY', + '2GL', 'NTO', 'PNG', 'B2G', '7NU', '4UZ', '5LS', '475', 'DJE', 'Z9E', 'GC9', 'QPS', '0NZ', 'F1X', 'G8Z', '2F8', '3SA', + '46D', '3DO', '6PZ', 'OI7', 'SLM', 'A0K', '9SJ', 'TWD', 'AOG', 'TW7', '2WS', 'GU5', 'NSQ', 'FUD', 'GLO', 'TNX', 'XYP', + 'JFZ', '2HA', 'G16', 'V3M', 'RTG', 'C4W', 'R2G', 'HD4', '66O', 'MFB', 'GXL', '8YV', 'NFG', 'FFC', '3YW', 'XYZ', '445', + 'IXD', 'GUL', 'CTO', '05L', 'Z3L', 'RBL', 'DR5', 'S81', 'CTR', '15L', 'GLP', '7K3', 'LDY', 'Z4S', 'H2P', '4GP', '5SP', + '18O', 'DGS', 'OX2', 'DFR', 'GN1', 'BGL', 'Z9K', 'GU4', '0V4', 'MA2', 'U2A', 'MXZ', 'PA1', '9YW', 'GS9', '3MK', 'AAL', + 'NBY', 'XXX', 'ISD', 'SEJ', 'DKZ', 'GL9', '23V', 'AMN', 'AHG', '25E', 'DJB', '7K2', 'GDL', '08U', 'TT7', 'DRI', 'HSY', + 'LB2', 'GCV', 'X1P', 'MN0', 'BW3', 'U9J', 'FFX', 'Z3U', 'LOX', 'MQG', 'HSG', 'GCO', 'GPQ', 'IDR', '2GS', 'AGL', 'RUU', + '5KV', 'R1X', 'LZ0', 'P6P', '0H0', '32O', 'LAG', 'YYK', '07E', '6KS', 'KOT', '17T', 'TQY', 'RM4', 'LNV', 'BGN', 'STW', + 'NGC', 'GLF', '2WP', 'GL5', 'KHP', '9SP', 'LAI', 'KDB', 'JVA', 'OTN', 'NA1', 'RR7', 'B16', 'PSV', 'NXD', 'C5X', 'G1P', + 'RRJ', 'DAF', '5N6', 'SG4', 'KDN', '95Z', 'FDQ', 'K5B', 'MDP', 'GTK', '4SG', 'ALL', 'LXC', 'TM5', 'NGA', '98U', '7JZ', + 'A6P', 'UBH', '293', '9T7', 'PUF', '5TM', 'VTB', 'BGP', 'JV4', 'SN5', 'FSA', 'LAK', 'G7P', 'BGC', 'ZCD', '7GP', '79J', + 'FKD', 'TWY', 'ZGE', 'OAK', 'FMF', 'ZCZ', 'GL2', 'MAV', 'ZB3', 'SA0', '3LR', 'SHD', 'XLS', 'DOM', 'Z4R', 'GP0', '5KS', + 'KO1', 'FCB', 'LFC', 'AC1', 'NPF', 'X6Y', 'IDF', '20X', '6KL', '6LW', '49S', '0YT', 'BDR', 'GBH', 'LAH', 'KO2', '40J', + '4CQ', 'D5E', 'T6D', 'SUP', 'TGR', 'Z57', 'SDY', '4NN', 'MNA', 'Z5J', '20S', 'CT3', 'DQR', '5MM', '83Y', '49T', 'BDG', + 'GL1', 'TOC', '6UD', 'GM0', 'GU3', '18D', 'ADA', '4AM', '9WZ', 'HSX', 'QIF', '6DM', '4RS', 'KDF', 'GAL', 'ISL', 'Z9H', + 'GC1', 'Z9W', 'NBG', 'MAL', 'BGS', 'W9T', 'U9A', '62I', 'M6P', 'AFO', 'C3G', 'M2F', 'RUG', 'ARW', 'LEC', 'B8D', '61J', + 'GL7', 'F58', 'GP4', 'GFP', 'TVY', 'ZB0', 'FSM', 'BDF', 'TCB', 'ZEL', 'IDG', '9CD', 'PNA', 'SF9', 'DSR', 'MG5', 'E5G', + 'PNW', 'TH1', '1S4', 'PTQ', 'KDD', 'SSH', 'F55', 'V71', 'VG1', '9T1', '145', 'GU2', '2M5', '8I4', 'H1S', 'YYB', '1LL', + '4N2', 'BG6', 'R2B', 'MAT', 'LMO', 'OSU', 'PSG', 'RCD', '26O', 'DGO', 'SID', 'FUB', '2FL', '3HD', '34V', 'FK9', 'AMG', + 'G4D', 'EPG', 'BWG', 'KTU', '491', 'JHM', 'NG1', 'DLD', 'MCU', 'MQT', 'EQV', 'CBF', '4GL', 'GS1', 'DEG', 'DDL', 'SGA', + '16O', 'X6X', 'H53', 'FUC', 'IDS', 'LTG', 'TMX', '9SM', '045', 'DAN', 'FRU', 'Z5L', 'AHM', 'BNG', 'AFP', 'MAF', 'UBO', + 'BOG', '2H5', 'NG6', '10M', 'NM6', 'RST', 'C3X', '9S7', '49A', 'AXP', 'PH5', 'ISX', 'B6D', 'GU6', 'TWG', '6GR', 'H3S', + 'Z61', '9WJ', 'BMA', 'U63', 'LKA', 'GRF', 'VJ1', 'RZM', 'MA3', '0XY', 'GAF', 'GAD', '1FT', '149', 'DPC', 'LFR', 'B9D', + 'CE5', 'SOR', '6KU', 'SFU', 'BEM', 'YKR', '38J', 'N3U', 'ARB', 'CBK', 'SGD', '8EX', 'WZ2', '8B9', 'TF0', 'X2Y', 'PKM', + 'RF5', 'D1M', 'AF1', 'DR2', 'EQP', 'AMV', 'PRP', 'VJ4', 'BCD', '1GN', 'SMD', '9QG', 'GCW', 'A5C', 'M3N', 'SZZ', 'B1H', + 'GPH', 'NDG', '5KT', 'TYV', 'KDM', 'A2G', 'CE6', 'H1M', 'JVS', 'ABL', 'LAO', 'P53', 'GCN', 'QKH', 'U2D', 'YYH', '6S2', + 'L0W', 'DEL', 'G2F', 'LER', 'MGC', 'RI2', '5KQ', 'DT6', 'U97', 'BG8', '1X4', 'GYG', 'U9D', 'SG7', '8B7', 'FCA', 'RWI', + '8GG', 'TAG', 'ERE', '46Z', '5QP', 'UDC', '51N', 'SGN', 'NLC', '8LR', 'L6T', 'WIA', 'TMR', 'IDC', 'GLT', 'FDP', 'GCT', + 'FSW', 'XYS', 'GAA', 'N9S', 'DO8', 'UAP', 'TUG', 'F1P', '2FG', '12E', '56N', 'IAB', 'LAT', 'X1X', 'MBE', 'GP1', 'X34', + '6MJ', '6KH', 'G3F', '3DY', 'XYF', 'GE1', 'MAB', 'Z9L', '289', 'GIV', 'F8X', '9WN', 'KDO', 'GLA', 'SIZ', 'G0S', 'EGA', + 'MJJ', 'B7G', 'BND', 'JRV', '1S3', 'DAG', 'GL0', 'GPV', 'HTM', '3R3', 'SHG', 'DR3', 'TTV', 'DK4', '22S', 'IDU', 'XIL', + 'RER', '6BG', 'GXV', 'BTU', 'GE3', 'H6Z', 'ZD0', 'SF6', 'VKN', 'GYU', '16F', 'K99', 'KGM', 'FX1', 'NGS', 'RVG', 'YX1', + '4GC', 'EEQ', 'XDX', 'MVP', 'PNJ', 'BS7', 'M7B', '0BD', 'AIG', 'TVV', 'BXY', 'T68', 'SIO', '8OQ', '2OS', 'S7P', 'GNX', + 'TUR', 'YX0', 'DVC', 'NGK', 'M8C', 'RHC', 'GPM', 'LKS', '64K', 'GMT', 'JLT', 'XS2', 'LBT', 'TVM', '6MN', 'DYM', 'E3M', + 'NGR', 'G6P', 'RAO', 'SCR', 'YJM', 'MRP', 'YIO', 'ACR', '291', '3GR', 'M1F', 'L6S', 'XLF', 'GU1', 'LVZ', 'DNO', '22O', + 'SOL', 'GPW', 'KD5', 'GCU', 'ERI', 'YZ0', 'TXB', 'ABD', 'YYM', 'BFN', 'G4S', 'GAC', 'PAV', 'MMA', 'RV7', 'MBG', '16G', + 'MA8', 'GU8', '4JA', 'NTP', 'FNY', '07Y', '1CF', 'KDE', 'Z16', 'CBI', '50A', 'Z4W', 'U9G', 'D6G', 'JSV', 'YDR', 'DGU', + 'Z15', 'G3I', 'XKJ', 'IEM', 'CDR', 'GLG', '0HX', 'TA6', '57S', 'LGU', '27C', 'BO1', 'EEN', 'HSJ', 'GLD', 'RP3', 'FSI', + 'LRH', '8PK', 'GTR', 'B1N', 'XXR', 'TFU', 'RAF', 'ETT', 'AY9', '3FM', 'G28', '2DR', 'FUL', 'CE8', 'GQ1', 'TGA', '6C2', + 'NGZ', '6LS', 'SOE', 'BQY', 'HSH', 'XYL', '5TH', 'A1Q', 'HTG', 'Z3K', '3MG', 'GMH', 'M1P', 'ASC', '73E', 'Z8T', 'STZ', + 'RAE', 'GL6', '7CV', 'GPU', '5L3', '7D1', 'CKP', 'BXP', 'M7P', 'RVM', 'TWA', '4R1', 'N1L', 'X2F', 'TVD', '3J3', 'TOA', + 'B4G', 'WUN', '0MK', '6YR', 'H6Q', 'CNP', 'TEU', 'MBF', '44S', 'Z9N', 'BM7', 'NGE', 'U9M', 'GMB', 'MTT', '9GP', 'DG0', + 'RP5', 'KBA', 'ALX', 'FVQ', 'TGY', 'EBG', 'BXF', '9C1', 'BBV', 'AFD', '4QY', 'GCD', 'FBP', '96O', 'GNS', 'OTU', 'ACX', + 'RP6', 'UEA', 'SGC', 'Z4V', 'RAM', 'AZC', 'J5B', '1GL', 'TGK', 'HSQ', 'LM2', 'MYG', 'PDX', 'Z6W', 'ZDC', '09X', 'IDX', + '9MR', 'MFU', 'CR6', 'Z8H', 'SUS', 'PZU', '89Y', '5TK', 'KME', 'U1Y', 'Z4U', 'LCN', 'GPK', 'MUR', '5TJ', 'NYT', '24S', + 'SR1', '0UB', '48Z', 'MGL', 'Z6J', 'BMX', 'C3B', 'TVS', 'SLB', 'IPT', 'MLB', 'SLT', 'Z9D', 'GRX', 'AH8', 'F6P', 'BNX', + 'JZR', 'LXB', 'M3M', 'XYT', 'MA1', 'GTM', 'SCG', 'Z3Q', 'KFN', 'LGC', 'ZB2', 'FIF', 'GLS', 'SSG', 'Z4Y', 'T6T', 'GCS', + 'GZL', 'U8V', 'V3P', 'ABE', 'MGS', '6KW', '8GA', 'BZD', 'FUF', 'GMZ', 'FUY', 'HNW', 'LXZ', 'IN1', 'SNG', 'GAT', 'Z9M', + 'BM3', 'ZDO', '9AM', '3LJ', 'X0X', 'MAN', '5GO', 'AMU', 'GUF', 'XMM', 'EAG', 'SUC', 'BXX', 'Z0F', '9OK', 'CTT', 'MLR', + '49V', 'ZMR', 'TWJ', 'MAW', '5II', 'ZEE', 'KBG', 'EMP', 'GUZ', 'TUJ', 'RB5', 'GCB', '9KJ', 'MAG', 'Z2D', '6LA', '2M4', + 'GN4', 'MDA', 'TU4', 'Z2T', 'GL4', 'EBQ', 'NNG', '1SD', 'ANA', 'MXY', 'Z6H', 'GU0', 'GUP', 'SG6', 'NAG', '9VP', 'RIP', + '3S6', 'KDR', 'R1P', '3J4', 'DFX', 'RGG'} # fmt: skip + + +# AlphaFold3 SI Tabel 15 +PBV2_COMMON_NATURAL_LIGANDS = {'UPG', 'CDP', 'DSG', 'APC', 'GSP', 'FAD', 'IPE', 'NAI', '2BA', 'PGA', 'A3P', 'PRP', 'NAD', 'PLG', + 'SFG', 'MFU', 'APR', 'GTP', 'PLP', 'UDP', 'SAH', 'ACP', 'GSH', 'CTP', 'AKG', 'F15', '5AD', 'BCN', + 'BDP', 'H4B', 'PHO', 'FMN', 'MTA', 'NGA', 'OGA', 'SLB', 'SIN', 'C5P', 'TPP', 'BGC', 'NCA', 'UD1', + 'ANP', 'DGL', 'FDA', 'URI', 'ADP', 'MTE', 'PJ8', 'ATP'} # fmt: skip diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/data_pipeline.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/data_pipeline.py new file mode 100644 index 0000000000000000000000000000000000000000..8dad0b7ec8f45c35d7850d996e9e0054891fad52 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/data_pipeline.py @@ -0,0 +1,310 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os +from collections import defaultdict +from pathlib import Path +from typing import Any, Optional, Union + +import biotite.structure.io as strucio +import numpy as np +import pandas as pd +import torch +from biotite.structure import AtomArray + +from protenix.data.msa_featurizer import MSAFeaturizer +from protenix.data.tokenizer import TokenArray +from protenix.utils.cropping import CropData +from protenix.utils.file_io import load_gzip_pickle + +torch.multiprocessing.set_sharing_strategy("file_system") + + +class DataPipeline(object): + + @staticmethod + def get_label_entity_id_to_asym_id_int(atom_array: AtomArray) -> dict[str, int]: + """ + Get a dictionary that associates each label_entity_id with its corresponding asym_id_int. + + Args: + atom_array (AtomArray): AtomArray object + + Returns: + dict[str, int]: label_entity_id to its asym_id_int + """ + entity_to_asym_id = defaultdict(set) + for atom in atom_array: + entity_id = atom.label_entity_id + entity_to_asym_id[entity_id].add(atom.asym_id_int) + return entity_to_asym_id + + @staticmethod + def get_data_bioassembly( + bioassembly_dict_fpath: Union[str, Path], + ) -> dict[str, Any]: + """ + Get the bioassembly dict. + + Args: + bioassembly_dict_fpath (Union[str, Path]): The path to the bioassembly dictionary file. + + Returns: + dict[str, Any]: The bioassembly dict with sequence, atom_array and token_array. + + Raises: + AssertionError: If the bioassembly dictionary file does not exist. + """ + assert os.path.exists( + bioassembly_dict_fpath + ), f"File not exists {bioassembly_dict_fpath}" + bioassembly_dict = load_gzip_pickle(bioassembly_dict_fpath) + + return bioassembly_dict + + @staticmethod + def _map_ref_chain( + one_sample: pd.Series, bioassembly_dict: dict[str, Any] + ) -> list[int]: + """ + Map the chain or interface chain_x_id to the reference chain asym_id. + + Args: + one_sample (pd.Series): A dict of one chain or interface from indices list. + bioassembly_dict (dict[str, Any]): The bioassembly dict with sequence, atom_array and token_array. + + Returns: + list[int]: A list of asym_id_lnt of the chosen chain or interface, length 1 or 2. + """ + atom_array = bioassembly_dict["atom_array"] + ref_chain_indices = [] + for chain_id_field in ["chain_1_id", "chain_2_id"]: + chain_id = one_sample[chain_id_field] + assert np.isin( + chain_id, np.unique(atom_array.chain_id) + ), f"PDB {bioassembly_dict['pdb_id']} {chain_id_field}:{chain_id} not in atom_array" + chain_asym_id = atom_array[atom_array.chain_id == chain_id].asym_id_int[0] + ref_chain_indices.append(chain_asym_id) + if one_sample["type"] == "chain": + break + return ref_chain_indices + + @staticmethod + def get_msa_raw_features( + bioassembly_dict: dict[str, Any], + selected_indices: np.ndarray, + msa_featurizer: Optional[MSAFeaturizer], + ) -> Optional[dict[str, np.ndarray]]: + """ + Get tokenized MSA features of the bioassembly + + Args: + bioassembly_dict (Mapping[str, Any]): The bioassembly dict with sequence, atom_array and token_array. + selected_indices (torch.Tensor): Cropped token indices. + msa_featurizer (MSAFeaturizer): MSAFeaturizer instance. + + Returns: + Optional[dict[str, np.ndarray]]: The tokenized MSA features of the bioassembly. + """ + if msa_featurizer is None: + return None + + entity_to_asym_id_int = dict( + DataPipeline.get_label_entity_id_to_asym_id_int( + bioassembly_dict["atom_array"] + ) + ) + + msa_feats = msa_featurizer( + bioassembly_dict=bioassembly_dict, + selected_indices=selected_indices, + entity_to_asym_id_int=entity_to_asym_id_int, + ) + + return msa_feats + + @staticmethod + def get_template_raw_features( + bioassembly_dict: dict[str, Any], + selected_indices: np.ndarray, + template_featurizer: None, + ) -> Optional[dict[str, np.ndarray]]: + """ + Get tokenized template features of the bioassembly. + + Args: + bioassembly_dict (dict[str, Any]): The bioassembly dict with sequence, atom_array and token_array. + selected_indices (np.ndarray): Cropped token indices. + template_featurizer (None): Placeholder for the template featurizer. + + Returns: + Optional[dict[str, np.ndarray]]: The tokenized template features of the bioassembly, + or None if the template featurizer is not provided. + """ + if template_featurizer is None: + return None + + entity_to_asym_id_int = dict( + DataPipeline.get_label_entity_id_to_asym_id_int( + bioassembly_dict["atom_array"] + ) + ) + + template_feats = template_featurizer( + bioassembly_dict=bioassembly_dict, + selected_indices=selected_indices, + entity_to_asym_id_int=entity_to_asym_id_int, + ) + return template_feats + + @staticmethod + def crop( + one_sample: pd.Series, + bioassembly_dict: dict[str, Any], + crop_size: int, + msa_featurizer: Optional[MSAFeaturizer], + template_featurizer: None, + method_weights: list[float] = [0.2, 0.4, 0.4], + contiguous_crop_complete_lig: bool = False, + spatial_crop_complete_lig: bool = False, + drop_last: bool = False, + remove_metal: bool = False, + ) -> tuple[str, TokenArray, AtomArray, dict[str, Any], dict[str, Any]]: + """ + Crop data based on the crop size and reference chain indices. + + Args: + one_sample (pd.Series): A dict of one chain or interface from indices list. + bioassembly_dict (dict[str, Any]): A dict of bioassembly dict with sequence, atom_array and token_array. + crop_size (int): the crop size. + msa_featurizer (MSAFeaturizer): Default to an empty replacement for msa featurizer. + template_featurizer (None): Placeholder for the template featurizer. + method_weights (list[float]): The weights corresponding to these three cropping methods: + ["ContiguousCropping", "SpatialCropping", "SpatialInterfaceCropping"]. + contiguous_crop_complete_lig (bool): Whether to crop the complete ligand in ContiguousCropping method. + spatial_crop_complete_lig (bool): Whether to crop the complete ligand in SpatialCropping method. + drop_last (bool): Whether to drop the last fragment in ContiguousCropping. + remove_metal (bool): Whether to remove metal atoms from the crop. + + Returns: + tuple[str, TokenArray, AtomArray, dict[str, Any], dict[str, Any]]: + crop_method (str): The crop method. + cropped_token_array (TokenArray): TokenArray after cropping. + cropped_atom_array (AtomArray): AtomArray after cropping. + cropped_msa_features (dict[str, Any]): The cropped msa features. + cropped_template_features (dict[str, Any]): The cropped template features. + """ + if crop_size <= 0: + selected_indices = None + # Prepare msa + msa_features = DataPipeline.get_msa_raw_features( + bioassembly_dict=bioassembly_dict, + selected_indices=selected_indices, + msa_featurizer=msa_featurizer, + ) + # Prepare template + template_features = DataPipeline.get_template_raw_features( + bioassembly_dict=bioassembly_dict, + selected_indices=selected_indices, + template_featurizer=template_featurizer, + ) + return ( + "no_crop", + bioassembly_dict["token_array"], + bioassembly_dict["atom_array"], + msa_features or {}, + template_features or {}, + -1, + ) + + ref_chain_indices = DataPipeline._map_ref_chain( + one_sample=one_sample, bioassembly_dict=bioassembly_dict + ) + + crop = CropData( + crop_size=crop_size, + ref_chain_indices=ref_chain_indices, + token_array=bioassembly_dict["token_array"], + atom_array=bioassembly_dict["atom_array"], + method_weights=method_weights, + contiguous_crop_complete_lig=contiguous_crop_complete_lig, + spatial_crop_complete_lig=spatial_crop_complete_lig, + drop_last=drop_last, + remove_metal=remove_metal, + ) + # Get crop method + crop_method = crop.random_crop_method() + # Get crop indices based crop method + selected_indices, reference_token_index = crop.get_crop_indices( + crop_method=crop_method + ) + # Prepare msa + msa_features = DataPipeline.get_msa_raw_features( + bioassembly_dict=bioassembly_dict, + selected_indices=selected_indices, + msa_featurizer=msa_featurizer, + ) + # Prepare template + template_features = DataPipeline.get_template_raw_features( + bioassembly_dict=bioassembly_dict, + selected_indices=selected_indices, + template_featurizer=template_featurizer, + ) + + ( + cropped_token_array, + cropped_atom_array, + cropped_msa_features, + cropped_template_features, + ) = crop.crop_by_indices( + selected_token_indices=selected_indices, + msa_features=msa_features, + template_features=template_features, + ) + + if crop_method == "ContiguousCropping": + resovled_atom_num = cropped_atom_array.is_resolved.sum() + # The criterion of “more than 4 atoms” is chosen arbitrarily. + assert ( + resovled_atom_num > 4 + ), f"{resovled_atom_num=} <= 4 after ContiguousCropping" + + return ( + crop_method, + cropped_token_array, + cropped_atom_array, + cropped_msa_features, + cropped_template_features, + reference_token_index, + ) + + @staticmethod + def save_atoms_to_cif( + output_cif_file: str, atom_array: AtomArray, include_bonds: bool = False + ) -> None: + """ + Save atom array data to a CIF file. + + Args: + output_cif_file (str): The output path for saving atom array in cif + atom_array (AtomArray): The atom array to be saved + include_bonds (bool): Whether to include bond information in the CIF file. Default is False. + + """ + strucio.save_structure( + file_path=output_cif_file, + array=atom_array, + data_block=os.path.basename(output_cif_file).replace(".cif", ""), + include_bonds=include_bonds, + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/dataloader.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/dataloader.py new file mode 100644 index 0000000000000000000000000000000000000000..618915b72f451ca20fbc696e33272accb67eb4bd --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/dataloader.py @@ -0,0 +1,372 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import math +from typing import Iterator, Optional, Sequence + +import torch +import torch.distributed as dist +from ml_collections.config_dict import ConfigDict +from torch.utils.data import DataLoader, DistributedSampler, Sampler + +from protenix.data.dataset import Dataset, get_datasets +from protenix.utils.logger import get_logger + +logger = get_logger(__name__) + + +class WeightedSampler(Sampler): + """ + A weighted sampler for single node. + """ + + def __init__( + self, + weights: Sequence[float], + num_samples: int, + replacement: bool, + seed: int = 0, + ): + """ + Args: + weights (list or numpy array): A list or numpy array of weights. + num_samples (int): The number of samples to be drawn. + replacement (bool): Whether sampling is done with replacement. + seed (int): The seed for the random number generator. + """ + self.weights = torch.as_tensor(weights, dtype=torch.double) + self.replacement = replacement + self.seed = seed + self.epoch = 0 + self.num_samples = num_samples + + def __iter__(self) -> Iterator[int]: + """ + Generates an iterator over the sampled indices. + + This method uses a random number generator to sample indices based on the provided weights. + The generator is seeded with the current seed and epoch to ensure reproducibility. + + Returns: + iter: An iterator over the sampled indices. + """ + g = torch.Generator() + g.manual_seed(self.seed + self.epoch) + indices = torch.multinomial( + self.weights, self.num_samples, self.replacement, generator=g + ).tolist() + return iter(indices) + + def __len__(self) -> int: + return self.num_samples + + def set_epoch(self, epoch: int) -> None: + self.epoch = epoch + + +class DistributedWeightedSampler(DistributedSampler): + """ + A distributed weighted sampler for multiple nodes. + """ + + def __init__( + self, + dataset: Dataset, + weights: Sequence[float], + num_samples: int, + num_replicas: Optional[int] = None, + rank: Optional[int] = None, + replacement: bool = True, + seed: int = 0, + ): + """ + Args: + dataset (Dataset): The dataset to be loaded. + weights (list): The weights associated with the dataset. + num_samples (int): The total number of samples to be drawn. + num_replicas (int, optional): The number of replicas to use for distributed sampling. Defaults to None. + rank (int, optional): The rank of the current process in a distributed environment. Defaults to None. + replacement (bool, optional): Whether to sample with replacement. Defaults to True. + seed (int, optional): The random seed for reproducibility. Defaults to 0. + """ + super().__init__(dataset, num_replicas=num_replicas, rank=rank, shuffle=False) + self.weights = torch.as_tensor(weights, dtype=torch.double) + self.replacement = replacement + self.seed = seed + self.epoch = 0 + self.num_samples = num_samples + + self.num_samples_per_replica = int( + math.ceil(self.num_samples / self.num_replicas) + ) + self.total_size = self.num_samples_per_replica * self.num_replicas + + def __iter__(self) -> Iterator[int]: + """ + Generates an iterator over the sampled indices for the current process in a distributed environment. + + This method uses a random number generator to sample indices based on the provided weights. + The generator is seeded with the current seed and epoch to ensure reproducibility. + The sampled indices are then distributed across the replicas according to the rank of the current process. + + Returns: + iter: An iterator over the sampled indices for the current process. + """ + g = torch.Generator() + g.manual_seed(self.seed + self.epoch) + indices = torch.multinomial( + self.weights, self.num_samples, self.replacement, generator=g + ).tolist() + indices = indices[self.rank : self.total_size : self.num_replicas] + return iter(indices) + + def __len__(self) -> int: + return self.num_samples // self.num_replicas + + def set_epoch(self, epoch: int) -> None: + self.epoch = epoch + + +class KeySumBalancedSampler(Sampler): + def __init__( + self, + dataset: Dataset, + key: str, + value_scale: float = 1.0, + seed: Optional[int] = None, + num_replicas: Optional[int] = None, + rank: Optional[int] = None, + ): + """ + This method initializes the KeySumBalancedSampler. + It calls the `get_balanced_assignments` method to distribute the dataset indices across workers based on the key sum. + + Args: + dataset (Dataset): The dataset to sample from. + key (str): The key by which data will be balanced (integer value). + value_scale (float): The multiplier of key value when computing the worker assignment weight + num_replicas (int, optional): Number of processes participating in distributed training. + rank (int, optional): Rank of the current process within num_replicas. + """ + self.dataset = dataset + self.key = key + self.value_scale = value_scale + self.seed = seed + self.num_replicas = num_replicas or dist.get_world_size() + self.rank = rank or dist.get_rank() + + # Get indices for this process after balancing by key sum + worker_assignments = self.get_balanced_assignments() + self.indices = worker_assignments[self.rank] + + def get_balanced_assignments(self): + """ + Distribute dataset indices across workers such that the sum of key values + assigned to each worker is as balanced as possible. + """ + if self.seed is not None: + # deterministically shuffle based on seed + g = torch.Generator() + g.manual_seed(self.seed) + indices = torch.randperm(len(self.dataset), generator=g).tolist() + else: + indices = list(range(len(self.dataset))) + + # pad for len(dataset) to self.num_replicas if len(dataset) < self.num_replicas + while len(indices) < self.num_replicas: + indices += indices[: (self.num_replicas - len(indices))] + + if isinstance(self.dataset.indices_list, list): + # e.g. recentPDB test set + dataset_values = [ + x[self.key].astype(int)[0] for x in self.dataset.indices_list + ] + else: + # e.g. posebuster test set + dataset_values = self.dataset.indices_list[self.key].astype(int).to_numpy() + + # Sort indices by key value + key_value_pairs = [(idx, dataset_values[idx]) for idx in indices] + key_value_pairs.sort(key=lambda x: x[1], reverse=True) + + # Calculate the target number of samples per worker + num_samples_per_worker = len(self.dataset) // self.num_replicas + + # Initialize containers for worker assignments and their current key sum + worker_assignments = [[] for _ in range(self.num_replicas)] + worker_sums = [0] * self.num_replicas + total_samples = num_samples_per_worker * self.num_replicas + + # Distribute samples using a greedy strategy to balance the key sum + for idx, key_value in key_value_pairs[:total_samples]: + # Find the worker with the smallest sum that hasn't exceeded its target sample count + min_worker = min( + range(self.num_replicas), + key=lambda i: ( + worker_sums[i] + if len(worker_assignments[i]) < num_samples_per_worker + else float("inf") + ), + ) + worker_assignments[min_worker].append(idx) + worker_sums[min_worker] += key_value**2 + + # Fix any discrepancies in the number of samples + all_indices = [idx for idx, _ in key_value_pairs] + + # Assign remaining samples if the dataset isn't divisible perfectly + if len(all_indices) > total_samples: + for i in range(len(all_indices) - total_samples): + worker_assignments[i % self.num_replicas].append( + all_indices[total_samples + i] + ) + + # Return the indices assigned to the current worker + return worker_assignments + + def __iter__(self): + return iter(self.indices) + + def __len__(self): + return len(self.indices) + + +class IterDataLoader(DataLoader): + """ + Iterative dataloader for single node. + """ + + def __init__(self, *args, **kwargs): + super(IterDataLoader, self).__init__(*args, **kwargs) + assert self.sampler is not None + self.counter = 0 + + def __iter__(self): + self.sampler.set_epoch(self.counter) + self.counter += 1 + _iterator = super(IterDataLoader, self).__iter__() + return _iterator + + +class DistributedDataLoader(DataLoader): + """ + Distributed dataloader for multiple nodes. + """ + + def __init__( + self, + dataset: Dataset, + batch_size: int, + num_workers: int = 0, + collate_fn=None, + seed: int = 42, + drop_last: bool = True, + shuffle: bool = True, + sampler: Sampler = None, + ): + if sampler is not None: + self.sampler = sampler + else: + self.sampler = DistributedSampler( + dataset, shuffle=shuffle, seed=seed, drop_last=drop_last + ) + + super(DistributedDataLoader, self).__init__( + dataset=dataset, + batch_size=batch_size, + num_workers=num_workers, + sampler=self.sampler, + shuffle=False, + collate_fn=collate_fn, + ) + self.counter = 0 + + def __iter__(self): + self.sampler.set_epoch(self.counter) + self.counter += 1 + _iterator = super(DistributedDataLoader, self).__iter__() + return _iterator + + +def get_dataloaders( + configs: ConfigDict, world_size: int, seed: int, error_dir: Optional[str] = None +): + """ + Generate data loaders for training and testing based on the given configurations and seed. + + Args: + configs (ConfigDict): An object containing the data configuration information. + world_size (int): The number of processes in the distributed environment. + seed (int): The random seed used for data sampling. + error_dir (str, optional): The directory to store error information. Defaults to None. + + Returns: + tuple: A tuple containing the training data loader and a dictionary of testing data loaders. + + """ + train_dataset, test_datasets = get_datasets(configs, error_dir) + if world_size > 1: + train_sampler = DistributedWeightedSampler( + train_dataset, + train_dataset.merged_datapoint_weights, + num_samples=configs.data.epoch_size, + replacement=True, + seed=seed, + ) + train_dl = DistributedDataLoader( + dataset=train_dataset, + batch_size=1, + shuffle=False, + num_workers=configs.data.num_dl_workers, + collate_fn=lambda batch: batch[0], + sampler=train_sampler, + ) + else: + + train_sampler = WeightedSampler( + weights=train_dataset.merged_datapoint_weights, + num_samples=configs.data.epoch_size, + replacement=True, + seed=seed, + ) + train_dl = IterDataLoader( + dataset=train_dataset, + batch_size=1, + shuffle=False, + num_workers=configs.data.num_dl_workers, + collate_fn=lambda batch: batch[0], + sampler=train_sampler, + ) + + test_dls = {} + test_dataset_sizes = {} + for test_name, test_dataset in test_datasets.items(): + test_dataset_sizes[test_name] = len(test_dataset) + test_sampler = ( + KeySumBalancedSampler(test_dataset, key="num_tokens", seed=configs.seed) + if world_size > 1 + else None + ) + test_dls[test_name] = DataLoader( + test_dataset, + batch_size=1, + shuffle=False, + num_workers=configs.data.num_dl_workers, + sampler=test_sampler, + collate_fn=lambda batch: batch[0], + ) + logger.info( + f"train data size: {len(train_dataset)}, test size: {test_dataset_sizes}" + ) + return train_dl, test_dls diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/dataset.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/dataset.py new file mode 100644 index 0000000000000000000000000000000000000000..62878cbf072d4cd71ee15f89b110342fa6c45136 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/dataset.py @@ -0,0 +1,1100 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import json +import os +import random +import traceback +from copy import deepcopy +from pathlib import Path +from typing import Any, Callable, Optional, Union + +import numpy as np +import pandas as pd +import torch +from biotite.structure.atoms import AtomArray +from ml_collections.config_dict import ConfigDict +from torch.utils.data import Dataset + +from protenix.data.constants import EvaluationChainInterface +from protenix.data.data_pipeline import DataPipeline +from protenix.data.featurizer import Featurizer +from protenix.data.msa_featurizer import MSAFeaturizer +from protenix.data.tokenizer import TokenArray +from protenix.data.utils import data_type_transform, make_dummy_feature +from protenix.utils.cropping import CropData +from protenix.utils.file_io import read_indices_csv +from protenix.utils.logger import get_logger +from protenix.utils.torch_utils import dict_to_tensor + +logger = get_logger(__name__) + + +class BaseSingleDataset(Dataset): + """ + dataset for a single data source + data = self.__item__(idx) + return a dict of features and labels, the keys and the shape are defined in protenix.data.utils + """ + + def __init__( + self, + mmcif_dir: Union[str, Path], + bioassembly_dict_dir: Optional[Union[str, Path]], + indices_fpath: Union[str, Path], + cropping_configs: dict[str, Any], + msa_featurizer: Optional[MSAFeaturizer] = None, + template_featurizer: Optional[Any] = None, + name: str = None, + **kwargs, + ) -> None: + super(BaseSingleDataset, self).__init__() + + # Configs + self.mmcif_dir = mmcif_dir + self.bioassembly_dict_dir = bioassembly_dict_dir + self.indices_fpath = indices_fpath + self.cropping_configs = cropping_configs + self.name = name + # General dataset configs + self.ref_pos_augment = kwargs.get("ref_pos_augment", True) + self.lig_atom_rename = kwargs.get("lig_atom_rename", False) + self.reassign_continuous_chain_ids = kwargs.get( + "reassign_continuous_chain_ids", False + ) + self.shuffle_mols = kwargs.get("shuffle_mols", False) + self.shuffle_sym_ids = kwargs.get("shuffle_sym_ids", False) + + # Typically used for test sets + self.find_pocket = kwargs.get("find_pocket", False) + self.find_all_pockets = kwargs.get("find_all_pockets", False) # for dev + self.find_eval_chain_interface = kwargs.get("find_eval_chain_interface", False) + self.group_by_pdb_id = kwargs.get("group_by_pdb_id", False) # for test set + self.sort_by_n_token = kwargs.get("sort_by_n_token", False) + + # Typically used for training set + self.random_sample_if_failed = kwargs.get("random_sample_if_failed", False) + self.use_reference_chains_only = kwargs.get("use_reference_chains_only", False) + self.is_distillation = kwargs.get("is_distillation", False) + + # Configs for data filters + self.max_n_token = kwargs.get("max_n_token", -1) + self.pdb_list = kwargs.get("pdb_list", None) + if len(self.pdb_list) == 0: + self.pdb_list = None + # Used for removing rows in the indices list. Column names and excluded values are specified in this dict. + self.exclusion_dict = kwargs.get("exclusion", {}) + self.limits = kwargs.get( + "limits", -1 + ) # Limit number of indices rows, mainly for test + + self.error_dir = kwargs.get("error_dir", None) + if self.error_dir is not None: + os.makedirs(self.error_dir, exist_ok=True) + + self.msa_featurizer = msa_featurizer + self.template_featurizer = template_featurizer + + # Read data + self.indices_list = self.read_indices_list(indices_fpath) + + @staticmethod + def read_pdb_list(pdb_list: Union[list, str]) -> Optional[list]: + """ + Reads a list of PDB IDs from a file or directly from a list. + + Args: + pdb_list: A list of PDB IDs or a file path containing PDB IDs. + + Returns: + A list of PDB IDs if the input is valid, otherwise None. + """ + if pdb_list is None: + return None + + if isinstance(pdb_list, list): + return pdb_list + + with open(pdb_list, "r") as f: + pdb_filter_list = [] + for l in f.readlines(): + l = l.strip() + if l: + pdb_filter_list.append(l) + return pdb_filter_list + + def read_indices_list(self, indices_fpath: Union[str, Path]) -> pd.DataFrame: + """ + Reads and processes a list of indices from a CSV file. + + Args: + indices_fpath: Path to the CSV file containing the indices. + + Returns: + A DataFrame containing the processed indices. + """ + indices_list = read_indices_csv(indices_fpath) + num_data = len(indices_list) + logger.info(f"#Rows in indices list: {num_data}") + # Filter by pdb_list + if self.pdb_list is not None: + pdb_filter_list = set(self.read_pdb_list(pdb_list=self.pdb_list)) + indices_list = indices_list[indices_list["pdb_id"].isin(pdb_filter_list)] + logger.info(f"[filtered by pdb_list] #Rows: {len(indices_list)}") + + # Filter by max_n_token + if self.max_n_token > 0: + valid_mask = indices_list["num_tokens"].astype(int) <= self.max_n_token + removed_list = indices_list[~valid_mask] + indices_list = indices_list[valid_mask] + logger.info(f"[removed] #Rows: {len(removed_list)}") + logger.info(f"[removed] #PDB: {removed_list['pdb_id'].nunique()}") + logger.info( + f"[filtered by n_token ({self.max_n_token})] #Rows: {len(indices_list)}" + ) + + # Filter by exclusion_dict + for col_name, exclusion_list in self.exclusion_dict.items(): + cols = col_name.split("|") + exclusion_set = {tuple(excl.split("|")) for excl in exclusion_list} + + def is_valid(row): + return tuple(row[col] for col in cols) not in exclusion_set + + valid_mask = indices_list.apply(is_valid, axis=1) + indices_list = indices_list[valid_mask].reset_index(drop=True) + logger.info( + f"[Excluded by {col_name} -- {exclusion_list}] #Rows: {len(indices_list)}" + ) + self.print_data_stats(indices_list) + + # Group by pdb_id + # A list of dataframe. Each contains one pdb with multiple rows. + if self.group_by_pdb_id: + indices_list = [ + df.reset_index() for _, df in indices_list.groupby("pdb_id", sort=True) + ] + + if self.sort_by_n_token: + # Sort the dataset in a descending order, so that if OOM it will raise Error at an early stage. + if self.group_by_pdb_id: + indices_list = sorted( + indices_list, + key=lambda df: int(df["num_tokens"].iloc[0]), + reverse=True, + ) + else: + indices_list = indices_list.sort_values( + by="num_tokens", key=lambda x: x.astype(int), ascending=False + ).reset_index(drop=True) + + if self.find_eval_chain_interface: + # Remove data that does not contain eval_type in the EvaluationChainInterface list + if self.group_by_pdb_id: + indices_list = [ + df + for df in indices_list + if len( + set(df["eval_type"].to_list()).intersection( + set(EvaluationChainInterface) + ) + ) + > 0 + ] + else: + indices_list = indices_list[ + indices_list["eval_type"].apply( + lambda x: x in EvaluationChainInterface + ) + ] + if self.limits > 0 and len(indices_list) > self.limits: + logger.info( + f"Limit indices list size from {len(indices_list)} to {self.limits}" + ) + indices_list = indices_list[: self.limits] + return indices_list + + def print_data_stats(self, df: pd.DataFrame) -> None: + """ + Prints statistics about the dataset, including the distribution of molecular group types. + + Args: + df: A DataFrame containing the indices list. + """ + if self.name: + logger.info("-" * 10 + f" Dataset {self.name}" + "-" * 10) + df["mol_group_type"] = df.apply( + lambda row: "_".join( + sorted( + [ + str(row["mol_1_type"]), + str(row["mol_2_type"]).replace("nan", "intra"), + ] + ) + ), + axis=1, + ) + + group_size_dict = dict(df["mol_group_type"].value_counts()) + for i, n_i in group_size_dict.items(): + logger.info(f"{i}: {n_i}/{len(df)}({round(n_i*100/len(df), 2)}%)") + + logger.info("-" * 30) + if "cluster_id" in df.columns: + n_cluster = df["cluster_id"].nunique() + for i in group_size_dict: + n_i = df[df["mol_group_type"] == i]["cluster_id"].nunique() + logger.info(f"{i}: {n_i}/{n_cluster}({round(n_i*100/n_cluster, 2)}%)") + logger.info("-" * 30) + + logger.info(f"Final pdb ids: {len(set(df.pdb_id.tolist()))}") + logger.info("-" * 30) + + def __len__(self) -> int: + return len(self.indices_list) + + def save_error_data(self, idx: int, error_message: str) -> None: + """ + Saves the error data for a specific index to a JSON file in the error directory. + + Args: + idx: The index of the data sample that caused the error. + error_message: The error message to be saved. + """ + if self.error_dir is not None: + sample_indice = self._get_sample_indice(idx=idx) + data = sample_indice.to_dict() + data["error"] = error_message + + filename = f"{sample_indice.pdb_id}-{sample_indice.chain_1_id}-{sample_indice.chain_2_id}.json" + fpath = os.path.join(self.error_dir, filename) + if not os.path.exists(fpath): + with open(fpath, "w") as f: + json.dump(data, f) + + def __getitem__(self, idx: int): + """ + Retrieves a data sample by processing the given index. + If an error occurs, it attempts to handle it by either saving the error data or randomly sampling another index. + + Args: + idx: The index of the data sample to retrieve. + + Returns: + A dictionary containing the processed data sample. + """ + # Try at most 10 times + for _ in range(10): + try: + data = self.process_one(idx) + return data + except Exception as e: + error_message = f"{e} at idx {idx}:\n{traceback.format_exc()}" + self.save_error_data(idx, error_message) + + if self.random_sample_if_failed: + logger.exception(f"[skip data {idx}] {error_message}") + # Random sample an index + idx = random.choice(range(len(self.indices_list))) + continue + else: + raise Exception(e) + return data + + def _get_bioassembly_data( + self, idx: int + ) -> tuple[list[dict[str, Any]], dict[str, Any]]: + sample_indice = self._get_sample_indice(idx=idx) + if self.bioassembly_dict_dir is not None: + bioassembly_dict_fpath = os.path.join( + self.bioassembly_dict_dir, sample_indice.pdb_id + ".pkl.gz" + ) + else: + bioassembly_dict_fpath = None + + bioassembly_dict = DataPipeline.get_data_bioassembly( + bioassembly_dict_fpath=bioassembly_dict_fpath + ) + bioassembly_dict["pdb_id"] = sample_indice.pdb_id + return sample_indice, bioassembly_dict, bioassembly_dict_fpath + + @staticmethod + def _reassign_atom_array_chain_id(atom_array: AtomArray): + """ + In experiments conducted to observe overfitting effects using training sets, + the pre-stored AtomArray in the training set may experience issues with discontinuous chain IDs due to filtering. + Consequently, a temporary patch has been implemented to resolve this issue. + + e.g. 3x6u asym_id_int = [0, 1, 2, ... 18, 20] -> reassigned_asym_id_int [0, 1, 2, ..., 18, 19] + """ + + def _get_contiguous_array(array): + array_uniq = np.sort(np.unique(array)) + map_dict = {i: idx for idx, i in enumerate(array_uniq)} + new_array = np.vectorize(map_dict.get)(array) + return new_array + + atom_array.asym_id_int = _get_contiguous_array(atom_array.asym_id_int) + atom_array.entity_id_int = _get_contiguous_array(atom_array.entity_id_int) + atom_array.sym_id_int = _get_contiguous_array(atom_array.sym_id_int) + return atom_array + + @staticmethod + def _shuffle_array_based_on_mol_id(token_array: TokenArray, atom_array: AtomArray): + """ + Shuffle both token_array and atom_array. + Atoms/tokens with the same mol_id will be shuffled as a integrated component. + """ + + # Get token mol_id + centre_atom_indices = token_array.get_annotation("centre_atom_index") + token_mol_id = atom_array[centre_atom_indices].mol_id + + # Get unique molecule IDs and shuffle them in place + shuffled_mol_ids = np.unique(token_mol_id).copy() + np.random.shuffle(shuffled_mol_ids) + + # Get shuffled token indices + original_token_indices = np.arange(len(token_mol_id)) + shuffled_token_indices = [] + for mol_id in shuffled_mol_ids: + mol_token_indices = original_token_indices[token_mol_id == mol_id] + shuffled_token_indices.append(mol_token_indices) + shuffled_token_indices = np.concatenate(shuffled_token_indices) + + # Get shuffled token and atom array + # Use `CropData.select_by_token_indices` to shuffle safely + token_array, atom_array, _, _ = CropData.select_by_token_indices( + token_array=token_array, + atom_array=atom_array, + selected_token_indices=shuffled_token_indices, + ) + + return token_array, atom_array + + @staticmethod + def _assign_random_sym_id(atom_array: AtomArray): + """ + Assign random sym_id for chains of the same entity_id + e.g. + when entity_id = 0 + sym_id_int = [0, 1, 2] -> random_sym_id_int = [2, 0, 1] + when entity_id = 1 + sym_id_int = [0, 1, 2, 3] -> random_sym_id_int = [3, 0, 1, 2] + """ + + def _shuffle(x): + x_unique = np.sort(np.unique(x)) + x_shuffled = x_unique.copy() + np.random.shuffle(x_shuffled) # shuffle in-place + map_dict = dict(zip(x_unique, x_shuffled)) + new_x = np.vectorize(map_dict.get)(x) + return new_x.copy() + + for entity_id in np.unique(atom_array.label_entity_id): + mask = atom_array.label_entity_id == entity_id + atom_array.sym_id_int[mask] = _shuffle(atom_array.sym_id_int[mask]) + return atom_array + + def process_one( + self, idx: int, return_atom_token_array: bool = False + ) -> dict[str, dict]: + """ + Processes a single data sample by retrieving bioassembly data, applying various transformations, and cropping the data. + It then extracts features and labels, and optionally returns the processed atom and token arrays. + + Args: + idx: The index of the data sample to process. + return_atom_token_array: Whether to return the processed atom and token arrays. + + Returns: + A dict containing the input features, labels, basic_info and optionally the processed atom and token arrays. + """ + + sample_indice, bioassembly_dict, bioassembly_dict_fpath = ( + self._get_bioassembly_data(idx=idx) + ) + + if self.use_reference_chains_only: + # Get the reference chains + ref_chain_ids = [sample_indice.chain_1_id, sample_indice.chain_2_id] + if sample_indice.type == "chain": + ref_chain_ids.pop(-1) + # Remove other chains from the bioassembly_dict + # Remove them safely using the crop method + token_centre_atom_indices = bioassembly_dict["token_array"].get_annotation( + "centre_atom_index" + ) + token_chain_id = bioassembly_dict["atom_array"][ + token_centre_atom_indices + ].chain_id + is_ref_chain = np.isin(token_chain_id, ref_chain_ids) + bioassembly_dict["token_array"], bioassembly_dict["atom_array"], _, _ = ( + CropData.select_by_token_indices( + token_array=bioassembly_dict["token_array"], + atom_array=bioassembly_dict["atom_array"], + selected_token_indices=np.arange(len(is_ref_chain))[is_ref_chain], + ) + ) + + if self.shuffle_mols: + bioassembly_dict["token_array"], bioassembly_dict["atom_array"] = ( + self._shuffle_array_based_on_mol_id( + token_array=bioassembly_dict["token_array"], + atom_array=bioassembly_dict["atom_array"], + ) + ) + + if self.shuffle_sym_ids: + bioassembly_dict["atom_array"] = self._assign_random_sym_id( + bioassembly_dict["atom_array"] + ) + + if self.reassign_continuous_chain_ids: + bioassembly_dict["atom_array"] = self._reassign_atom_array_chain_id( + bioassembly_dict["atom_array"] + ) + + # Crop + ( + crop_method, + cropped_token_array, + cropped_atom_array, + cropped_msa_features, + cropped_template_features, + reference_token_index, + ) = self.crop( + sample_indice=sample_indice, + bioassembly_dict=bioassembly_dict, + **self.cropping_configs, + ) + + feat, label, label_full = self.get_feature_and_label( + idx=idx, + token_array=cropped_token_array, + atom_array=cropped_atom_array, + msa_features=cropped_msa_features, + template_features=cropped_template_features, + full_atom_array=bioassembly_dict["atom_array"], + is_spatial_crop="spatial" in crop_method.lower(), + ) + + # Basic info, e.g. dimension related items + basic_info = { + "pdb_id": ( + bioassembly_dict["pdb_id"] + if self.is_distillation is False + else sample_indice["pdb_id"] + ), + "N_asym": torch.tensor([len(torch.unique(feat["asym_id"]))]), + "N_token": torch.tensor([feat["token_index"].shape[0]]), + "N_atom": torch.tensor([feat["atom_to_token_idx"].shape[0]]), + "N_msa": torch.tensor([feat["msa"].shape[0]]), + "bioassembly_dict_fpath": bioassembly_dict_fpath, + "N_msa_prot_pair": torch.tensor([feat["prot_pair_num_alignments"]]), + "N_msa_prot_unpair": torch.tensor([feat["prot_unpair_num_alignments"]]), + "N_msa_rna_pair": torch.tensor([feat["rna_pair_num_alignments"]]), + "N_msa_rna_unpair": torch.tensor([feat["rna_unpair_num_alignments"]]), + } + + for mol_type in ("protein", "ligand", "rna", "dna"): + abbr = {"protein": "prot", "ligand": "lig"} + abbr_type = abbr.get(mol_type, mol_type) + mol_type_mask = feat[f"is_{mol_type}"].bool() + n_atom = int(mol_type_mask.sum(dim=-1).item()) + n_token = len(torch.unique(feat["atom_to_token_idx"][mol_type_mask])) + basic_info[f"N_{abbr_type}_atom"] = torch.tensor([n_atom]) + basic_info[f"N_{abbr_type}_token"] = torch.tensor([n_token]) + + # Add chain level chain_id + asymn_id_to_chain_id = { + atom.asym_id_int: atom.chain_id for atom in cropped_atom_array + } + chain_id_list = [ + asymn_id_to_chain_id[asymn_id_int] + for asymn_id_int in sorted(asymn_id_to_chain_id.keys()) + ] + basic_info["chain_id"] = chain_id_list + + data = { + "input_feature_dict": feat, + "label_dict": label, + "label_full_dict": label_full, + "basic": basic_info, + } + + if return_atom_token_array: + data["cropped_atom_array"] = cropped_atom_array + data["cropped_token_array"] = cropped_token_array + return data + + def crop( + self, + sample_indice: pd.Series, + bioassembly_dict: dict[str, Any], + crop_size: int, + method_weights: list[float], + contiguous_crop_complete_lig: bool = True, + spatial_crop_complete_lig: bool = True, + drop_last: bool = True, + remove_metal: bool = True, + ) -> tuple[str, TokenArray, AtomArray, dict[str, Any], dict[str, Any]]: + """ + Crops the bioassembly data based on the specified configurations. + + Returns: + A tuple containing the cropping method, cropped token array, cropped atom array, + cropped MSA features, and cropped template features. + """ + return DataPipeline.crop( + one_sample=sample_indice, + bioassembly_dict=bioassembly_dict, + crop_size=crop_size, + msa_featurizer=self.msa_featurizer, + template_featurizer=self.template_featurizer, + method_weights=method_weights, + contiguous_crop_complete_lig=contiguous_crop_complete_lig, + spatial_crop_complete_lig=spatial_crop_complete_lig, + drop_last=drop_last, + remove_metal=remove_metal, + ) + + def _get_sample_indice(self, idx: int) -> pd.Series: + """ + Retrieves the sample indice for a given index. If the dataset is grouped by PDB ID, it returns the first row of the PDB-idx. + Otherwise, it returns the row at the specified index. + + Args: + idx: The index of the data sample to retrieve. + + Returns: + A pandas Series containing the sample indice. + """ + if self.group_by_pdb_id: + # Row-0 of PDB-idx + sample_indice = self.indices_list[idx].iloc[0] + else: + sample_indice = self.indices_list.iloc[idx] + return sample_indice + + def _get_eval_chain_interface_mask( + self, idx: int, atom_array_chain_id: np.ndarray + ) -> tuple[np.ndarray, np.ndarray, torch.Tensor, torch.Tensor]: + """ + Retrieves the evaluation chain/interface mask for a given index. + + Args: + idx: The index of the data sample. + atom_array_chain_id: An array containing the chain IDs of the atom array. + + Returns: + A tuple containing the evaluation type, cluster ID, chain 1 mask, and chain 2 mask. + """ + if self.group_by_pdb_id: + df = self.indices_list[idx] + else: + df = self.indices_list.iloc[idx : idx + 1] + + # Only consider chain/interfaces defined in EvaluationChainInterface + df = df[df["eval_type"].apply(lambda x: x in EvaluationChainInterface)].copy() + if len(df) < 1: + raise ValueError( + f"Cannot find a chain/interface for evaluation in the PDB." + ) + + def get_atom_mask(row): + chain_1_mask = atom_array_chain_id == row["chain_1_id"] + if row["type"] == "chain": + chain_2_mask = chain_1_mask + else: + chain_2_mask = atom_array_chain_id == row["chain_2_id"] + chain_1_mask = torch.tensor(chain_1_mask).bool() + chain_2_mask = torch.tensor(chain_2_mask).bool() + if chain_1_mask.sum() == 0 or chain_2_mask.sum() == 0: + return None, None + return chain_1_mask, chain_2_mask + + df["chain_1_mask"], df["chain_2_mask"] = zip(*df.apply(get_atom_mask, axis=1)) + df = df[df["chain_1_mask"].notna()] # drop NaN + + if len(df) < 1: + raise ValueError( + f"Cannot find a chain/interface for evaluation in the atom_array." + ) + + eval_type = np.array(df["eval_type"].tolist()) + cluster_id = np.array(df["cluster_id"].tolist()) + # [N_eval, N_atom] + chain_1_mask = torch.stack(df["chain_1_mask"].tolist()) + # [N_eval, N_atom] + chain_2_mask = torch.stack(df["chain_2_mask"].tolist()) + + return eval_type, cluster_id, chain_1_mask, chain_2_mask + + def get_feature_and_label( + self, + idx: int, + token_array: TokenArray, + atom_array: AtomArray, + msa_features: dict[str, Any], + template_features: dict[str, Any], + full_atom_array: AtomArray, + is_spatial_crop: bool = True, + ) -> tuple[dict[str, torch.Tensor], dict[str, torch.Tensor]]: + """ + Get feature and label information for a given data point. + It uses a Featurizer object to obtain input features and labels, and applies several + steps to add other features and labels. Finally, it returns the feature dictionary, label + dictionary, and a full label dictionary. + + Args: + idx: Index of the data point. + token_array: Token array representing the amino acid sequence. + atom_array: Atom array containing atomic information. + msa_features: Dictionary of MSA features. + template_features: Dictionary of template features. + full_atom_array: Full atom array containing all atoms. + is_spatial_crop: Flag indicating whether spatial cropping is applied, by default True. + + Returns: + A tuple containing the feature dictionary and the label dictionary. + + Raises: + ValueError: If the ligand cannot be found in the data point. + """ + # Get feature and labels from Featurizer + feat = Featurizer( + cropped_token_array=token_array, + cropped_atom_array=atom_array, + ref_pos_augment=self.ref_pos_augment, + lig_atom_rename=self.lig_atom_rename, + ) + features_dict = feat.get_all_input_features() + labels_dict = feat.get_labels() + + # Permutation list for atom permutation + features_dict["atom_perm_list"] = feat.get_atom_permutation_list() + + # Labels for multi-chain permutation + # Note: the returned full_atom_array may contain fewer atoms than the input + label_full_dict, full_atom_array = Featurizer.get_gt_full_complex_features( + atom_array=full_atom_array, + cropped_atom_array=atom_array, + get_cropped_asym_only=is_spatial_crop, + ) + + # Masks for Pocket Metrics + if self.find_pocket: + # Get entity_id of the interested ligand + sample_indice = self._get_sample_indice(idx=idx) + if sample_indice.mol_1_type == "ligand": + lig_entity_id = str(sample_indice.entity_1_id) + lig_chain_id = str(sample_indice.chain_1_id) + elif sample_indice.mol_2_type == "ligand": + lig_entity_id = str(sample_indice.entity_2_id) + lig_chain_id = str(sample_indice.chain_2_id) + else: + raise ValueError(f"Cannot find ligand from this data point.") + # Make sure the cropped array contains interested ligand + assert lig_entity_id in set(atom_array.label_entity_id) + assert lig_chain_id in set(atom_array.chain_id) + + # Get asym ID of the specific ligand in the `main` pocket + lig_asym_id = atom_array.label_asym_id[atom_array.chain_id == lig_chain_id] + assert len(np.unique(lig_asym_id)) == 1 + lig_asym_id = lig_asym_id[0] + ligands = [lig_asym_id] + + if self.find_all_pockets: + # Get asym ID of other ligands with the same entity_id + all_lig_asym_ids = set( + full_atom_array[ + full_atom_array.label_entity_id == lig_entity_id + ].label_asym_id + ) + ligands.extend(list(all_lig_asym_ids - set([lig_asym_id]))) + + # Note: the `main` pocket is the 0-indexed one. + # [N_pocket, N_atom], [N_pocket, N_atom]. + # If not find_all_pockets, then N_pocket = 1. + interested_ligand_mask, pocket_mask = feat.get_lig_pocket_mask( + atom_array=full_atom_array, lig_label_asym_id=ligands + ) + + label_full_dict["pocket_mask"] = pocket_mask + label_full_dict["interested_ligand_mask"] = interested_ligand_mask + + # Masks for Chain/Interface Metrics + if self.find_eval_chain_interface: + eval_type, cluster_id, chain_1_mask, chain_2_mask = ( + self._get_eval_chain_interface_mask( + idx=idx, atom_array_chain_id=full_atom_array.chain_id + ) + ) + labels_dict["eval_type"] = eval_type # [N_eval] + labels_dict["cluster_id"] = cluster_id # [N_eval] + labels_dict["chain_1_mask"] = chain_1_mask # [N_eval, N_atom] + labels_dict["chain_2_mask"] = chain_2_mask # [N_eval, N_atom] + + # Make dummy features for not implemented features + dummy_feats = [] + if len(msa_features) == 0: + dummy_feats.append("msa") + else: + msa_features = dict_to_tensor(msa_features) + features_dict.update(msa_features) + if len(template_features) == 0: + dummy_feats.append("template") + else: + template_features = dict_to_tensor(template_features) + features_dict.update(template_features) + + features_dict = make_dummy_feature( + features_dict=features_dict, dummy_feats=dummy_feats + ) + # Transform to right data type + features_dict = data_type_transform(feat_or_label_dict=features_dict) + labels_dict = data_type_transform(feat_or_label_dict=labels_dict) + + # Is_distillation + features_dict["is_distillation"] = torch.tensor([self.is_distillation]) + if self.is_distillation is True: + features_dict["resolution"] = torch.tensor([-1.0]) + return features_dict, labels_dict, label_full_dict + + +def get_msa_featurizer(configs, dataset_name: str, stage: str) -> Optional[Callable]: + """ + Creates and returns an MSAFeaturizer object based on the provided configurations. + + Args: + configs: A dictionary containing the configurations for the MSAFeaturizer. + dataset_name: The name of the dataset. + stage: The stage of the dataset (e.g., 'train', 'test'). + + Returns: + An MSAFeaturizer object if MSA is enabled in the configurations, otherwise None. + """ + if "msa" in configs["data"] and configs["data"]["msa"]["enable"]: + msa_info = configs["data"]["msa"] + msa_args = deepcopy(msa_info) + + if "msa" in (dataset_config := configs["data"][dataset_name]): + for k, v in dataset_config["msa"].items(): + if k not in ["prot", "rna"]: + msa_args[k] = v + else: + for kk, vv in dataset_config["msa"][k].items(): + msa_args[k][kk] = vv + + prot_msa_args = msa_args["prot"] + prot_msa_args.update( + { + "dataset_name": dataset_name, + "merge_method": msa_args["merge_method"], + "max_size": msa_args["max_size"][stage], + } + ) + + rna_msa_args = msa_args["rna"] + rna_msa_args.update( + { + "dataset_name": dataset_name, + "merge_method": msa_args["merge_method"], + "max_size": msa_args["max_size"][stage], + } + ) + + return MSAFeaturizer( + prot_msa_args=prot_msa_args, + rna_msa_args=rna_msa_args, + enable_rna_msa=configs.data.msa.enable_rna_msa, + ) + + else: + return None + + +class WeightedMultiDataset(Dataset): + """ + A weighted dataset composed of multiple datasets with weights. + """ + + def __init__( + self, + datasets: list[Dataset], + dataset_names: list[str], + datapoint_weights: list[list[float]], + dataset_sample_weights: list[torch.tensor], + ): + """ + Initializes the WeightedMultiDataset. + Args: + datasets: A list of Dataset objects. + dataset_names: A list of dataset names corresponding to the datasets. + datapoint_weights: A list of lists containing sampling weights for each datapoint in the datasets. + dataset_sample_weights: A list of torch tensors containing sampling weights for each dataset. + """ + self.datasets = datasets + self.dataset_names = dataset_names + self.datapoint_weights = datapoint_weights + self.dataset_sample_weights = torch.Tensor(dataset_sample_weights) + self.iteration = 0 + self.offset = 0 + self.init_datasets() + + def init_datasets(self): + """Calculate global weights of each datapoint in datasets for future sampling.""" + self.merged_datapoint_weights = [] + self.weight = 0.0 + self.dataset_indices = [] + self.within_dataset_indices = [] + for dataset_index, ( + dataset, + datapoint_weight_list, + dataset_weight, + ) in enumerate( + zip(self.datasets, self.datapoint_weights, self.dataset_sample_weights) + ): + # normalize each dataset weights + weight_sum = sum(datapoint_weight_list) + datapoint_weight_list = [ + dataset_weight * w / weight_sum for w in datapoint_weight_list + ] + self.merged_datapoint_weights.extend(datapoint_weight_list) + self.weight += dataset_weight + self.dataset_indices.extend([dataset_index] * len(datapoint_weight_list)) + self.within_dataset_indices.extend(list(range(len(datapoint_weight_list)))) + self.merged_datapoint_weights = torch.tensor( + self.merged_datapoint_weights, dtype=torch.float64 + ) + + def __len__(self) -> int: + return len(self.merged_datapoint_weights) + + def __getitem__(self, index: int) -> dict[str, dict]: + return self.datasets[self.dataset_indices[index]][ + self.within_dataset_indices[index] + ] + + +def get_weighted_pdb_weight( + data_type: str, + cluster_size: int, + chain_count: dict, + eps: float = 1e-9, + beta_dict: dict = { + "chain": 0.5, + "interface": 1, + }, + alpha_dict: dict = { + "prot": 3, + "nuc": 3, + "ligand": 1, + }, +) -> float: + """ + Get sample weight for each examples in weighted pdb dataset. AF3-SI (1) + Args: + data_type: chain or interface + cluster_size: cluster size of this chain/interface + chain_count: count of each kinds of chains, {"prot": int, "nuc": int, "ligand": int} + Returns: + weights: float + """ + assert cluster_size > 0 + assert data_type in ["chain", "interface"] + beta = beta_dict[data_type] + assert set(chain_count.keys()).issubset(set(alpha_dict.keys())) + weight = ( + beta + * sum( + [alpha * chain_count[data_mode] for data_mode, alpha in alpha_dict.items()] + ) + / (cluster_size + eps) + ) + return weight + + +def calc_weights_for_df( + indices_df: pd.DataFrame, beta_dict: dict[str, Any], alpha_dict: dict[str, Any] +) -> pd.DataFrame: + """ + Calculate weights for each example in the dataframe. + + Args: + indices_df: A pandas DataFrame containing the indices. + beta_dict: A dictionary containing beta values for different data types. + alpha_dict: A dictionary containing alpha values for different data types. + + Returns: + A pandas DataFrame with an column 'weights' containing the calculated weights. + """ + # Specific to assembly, and entities (chain or interface) + indices_df["pdb_sorted_entity_id"] = indices_df.apply( + lambda x: f"{x['pdb_id']}_{x['assembly_id']}_{'_'.join(sorted([str(x['entity_1_id']), str(x['entity_2_id'])]))}", + axis=1, + ) + + entity_member_num_dict = {} + for pdb_sorted_entity_id, sub_df in indices_df.groupby("pdb_sorted_entity_id"): + # Number of repeatative entities in the same assembly + entity_member_num_dict[pdb_sorted_entity_id] = len(sub_df) + indices_df["pdb_sorted_entity_id_member_num"] = indices_df.apply( + lambda x: entity_member_num_dict[x["pdb_sorted_entity_id"]], axis=1 + ) + + cluster_size_record = {} + for cluster_id, sub_df in indices_df.groupby("cluster_id"): + cluster_size_record[cluster_id] = len(set(sub_df["pdb_sorted_entity_id"])) + + weights = [] + for _, row in indices_df.iterrows(): + data_type = row["type"] + cluster_size = cluster_size_record[row["cluster_id"]] + chain_count = {"prot": 0, "nuc": 0, "ligand": 0} + for mol_type in [row["mol_1_type"], row["mol_2_type"]]: + if chain_count.get(mol_type) is None: + continue + chain_count[mol_type] += 1 + # Weight specific to (assembly, entity(chain/interface)) + weight = get_weighted_pdb_weight( + data_type=data_type, + cluster_size=cluster_size, + chain_count=chain_count, + beta_dict=beta_dict, + alpha_dict=alpha_dict, + ) + weights.append(weight) + indices_df["weights"] = weights / indices_df["pdb_sorted_entity_id_member_num"] + return indices_df + + +def get_sample_weights( + sampler_type: str, + indices_df: pd.DataFrame = None, + beta_dict: dict = { + "chain": 0.5, + "interface": 1, + }, + alpha_dict: dict = { + "prot": 3, + "nuc": 3, + "ligand": 1, + }, + force_recompute_weight: bool = False, +) -> Union[pd.Series, list[float]]: + """ + Computes sample weights based on the specified sampler type. + + Args: + sampler_type: The type of sampler to use ('weighted' or 'uniform'). + indices_df: A pandas DataFrame containing the indices. + beta_dict: A dictionary containing beta values for different data types. + alpha_dict: A dictionary containing alpha values for different data types. + force_recompute_weight: Whether to force recomputation of weights even if they already exist. + + Returns: + A list of sample weights. + + Raises: + ValueError: If an unknown sampler type is provided. + """ + if sampler_type == "weighted": + assert indices_df is not None + if "weights" not in indices_df.columns or force_recompute_weight: + indices_df = calc_weights_for_df( + indices_df=indices_df, + beta_dict=beta_dict, + alpha_dict=alpha_dict, + ) + return indices_df["weights"].astype("float32") + elif sampler_type == "uniform": + assert indices_df is not None + return [1 / len(indices_df) for _ in range(len(indices_df))] + else: + raise ValueError(f"Unknown sampler type: {sampler_type}") + + +def get_datasets( + configs: ConfigDict, error_dir: Optional[str] +) -> tuple[WeightedMultiDataset, dict[str, BaseSingleDataset]]: + """ + Get training and testing datasets given configs + + Args: + configs: A ConfigDict containing the dataset configurations. + error_dir: The directory where error logs will be saved. + + Returns: + A tuple containing the training dataset and a dictionary of testing datasets. + """ + + def _get_dataset_param(config_dict, dataset_name: str, stage: str): + # Template_featurizer is under development + # Lig_atom_rename/shuffle_mols/shuffle_sym_ids do not affect the performance very much + return { + "name": dataset_name, + **config_dict["base_info"], + "cropping_configs": config_dict["cropping_configs"], + "error_dir": error_dir, + "msa_featurizer": get_msa_featurizer(configs, dataset_name, stage), + "template_featurizer": None, + "lig_atom_rename": config_dict.get("lig_atom_rename", False), + "shuffle_mols": config_dict.get("shuffle_mols", False), + "shuffle_sym_ids": config_dict.get("shuffle_sym_ids", False), + } + + data_config = configs.data + logger.info(f"Using train sets {data_config.train_sets}") + assert len(data_config.train_sets) == len( + data_config.train_sampler.train_sample_weights + ) + train_datasets = [] + datapoint_weights = [] + for train_name in data_config.train_sets: + config_dict = data_config[train_name].to_dict() + dataset_param = _get_dataset_param( + config_dict, dataset_name=train_name, stage="train" + ) + dataset_param["ref_pos_augment"] = data_config.get( + "train_ref_pos_augment", True + ) + dataset_param["limits"] = data_config.get("limits", -1) + train_dataset = BaseSingleDataset(**dataset_param) + train_datasets.append(train_dataset) + datapoint_weights.append( + get_sample_weights( + **data_config[train_name]["sampler_configs"], + indices_df=train_dataset.indices_list, + ) + ) + train_dataset = WeightedMultiDataset( + datasets=train_datasets, + dataset_names=data_config.train_sets, + datapoint_weights=datapoint_weights, + dataset_sample_weights=data_config.train_sampler.train_sample_weights, + ) + + test_datasets = {} + test_sets = data_config.test_sets + for test_name in test_sets: + config_dict = data_config[test_name].to_dict() + dataset_param = _get_dataset_param( + config_dict, dataset_name=test_name, stage="test" + ) + dataset_param["ref_pos_augment"] = data_config.get("test_ref_pos_augment", True) + test_dataset = BaseSingleDataset(**dataset_param) + test_datasets[test_name] = test_dataset + return train_dataset, test_datasets diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/featurizer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/featurizer.py new file mode 100644 index 0000000000000000000000000000000000000000..accdaa8933f1da5897a5d3b98f2c03d89bba89b2 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/featurizer.py @@ -0,0 +1,802 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import copy +from collections import defaultdict +from typing import Union + +import numpy as np +import torch +from biotite.structure import Atom, AtomArray, get_residue_starts +from sklearn.neighbors import KDTree + +from protenix.data.constants import STD_RESIDUES, get_all_elems +from protenix.data.tokenizer import Token, TokenArray +from protenix.data.utils import get_ligand_polymer_bond_mask +from protenix.utils.geometry import angle_3p, random_transform + + +class Featurizer(object): + def __init__( + self, + cropped_token_array: TokenArray, + cropped_atom_array: AtomArray, + ref_pos_augment: bool = True, + lig_atom_rename: bool = False, + ) -> None: + """ + Args: + cropped_token_array (TokenArray): TokenArray object after cropping + cropped_atom_array (AtomArray): AtomArray object after cropping + ref_pos_augment (bool): Boolean indicating whether apply random rotation and translation on ref_pos + lig_atom_rename (bool): Boolean indicating whether rename atom name for ligand atoms + """ + self.cropped_token_array = cropped_token_array + + self.cropped_atom_array = cropped_atom_array + self.ref_pos_augment = ref_pos_augment + self.lig_atom_rename = lig_atom_rename + + @staticmethod + def encoder(encode_def_list: list[str], input_list: list[str]) -> torch.Tensor: + """ + Encode a list of input values into a binary format using a specified encoding definition list. + + Args: + encode_def_list (list): A list of encoding definitions. + input_list (list): A list of input values to be encoded. + + Returns: + torch.Tensor: A tensor representing the binary encoding of the input values. + """ + onehot_dict = {} + num_keys = len(encode_def_list) + for index, key in enumerate(encode_def_list): + onehot = [0] * num_keys + onehot[index] = 1 + onehot_dict[key] = onehot + + onehot_encoded_data = [onehot_dict[item] for item in input_list] + onehot_tensor = torch.Tensor(onehot_encoded_data) + return onehot_tensor + + @staticmethod + def restype_onehot_encoded(restype_list: list[str]) -> torch.Tensor: + """ + Ref: AlphaFold3 SI Table 5 "restype" + One-hot encoding of the sequence. 32 possible values: 20 amino acids + unknown, + 4 RNA nucleotides + unknown, 4 DNA nucleotides + unknown, and gap. + Ligands represented as “unknown amino acid”. + + Args: + restype_list (List[str]): A list of residue types. + The residue type of ligand should be "UNK" in the input list. + + Returns: + torch.Tensor: A Tensor of one-hot encoded residue types + """ + + return Featurizer.encoder(list(STD_RESIDUES.keys()) + ["-"], restype_list) + + @staticmethod + def elem_onehot_encoded(elem_list: list[str]) -> torch.Tensor: + """ + Ref: AlphaFold3 SI Table 5 "ref_element" + One-hot encoding of the element atomic number for each atom + in the reference conformer, up to atomic number 128. + + Args: + elem_list (List[str]): A list of element symbols. + + Returns: + torch.Tensor: A Tensor of one-hot encoded elements + """ + return Featurizer.encoder(get_all_elems(), elem_list) + + @staticmethod + def ref_atom_name_chars_encoded(atom_names: list[str]) -> torch.Tensor: + """ + Ref: AlphaFold3 SI Table 5 "ref_atom_name_chars" + One-hot encoding of the unique atom names in the reference conformer. + Each character is encoded as ord(c) − 32, and names are padded to length 4. + + Args: + atom_name_list (List[str]): A list of atom names. + + Returns: + torch.Tensor: A Tensor of character encoded atom names + """ + onehot_dict = {} + for index, key in enumerate(range(64)): + onehot = [0] * 64 + onehot[index] = 1 + onehot_dict[key] = onehot + # [N_atom, 4, 64] + mol_encode = [] + for atom_name in atom_names: + # [4, 64] + atom_encode = [] + for name_str in atom_name.ljust(4): + atom_encode.append(onehot_dict[ord(name_str) - 32]) + mol_encode.append(atom_encode) + onehot_tensor = torch.Tensor(mol_encode) + return onehot_tensor + + @staticmethod + def get_prot_nuc_frame(token: Token, centre_atom: Atom) -> tuple[int, list[int]]: + """ + Ref: AlphaFold3 SI Chapter 4.3.2 + For proteins/DNA/RNA, we use the three atoms [N, CA, C] / [C1', C3', C4'] + + Args: + token (Token): Token object. + centre_atom (Atom): Biotite Atom object of Token centre atom. + + Returns: + has_frame (int): 1 if the token has frame, 0 otherwise. + frame_atom_index (List[int]): The index of the atoms used to construct the frame. + """ + if centre_atom.mol_type == "protein": + # For protein + abc_atom_name = ["N", "CA", "C"] + else: + # For DNA and RNA + abc_atom_name = [r"C1'", r"C3'", r"C4'"] + + idx_in_atom_indices = [] + for i in abc_atom_name: + if centre_atom.mol_type == "protein" and "N" not in token.atom_names: + return 0, [-1, -1, -1] + elif centre_atom.mol_type != "protein" and "C1'" not in token.atom_names: + return 0, [-1, -1, -1] + idx_in_atom_indices.append(token.atom_names.index(i)) + # Protein/DNA/RNA always has frame + has_frame = 1 + frame_atom_index = [token.atom_indices[i] for i in idx_in_atom_indices] + return has_frame, frame_atom_index + + @staticmethod + def get_lig_frame( + token: Token, + centre_atom: Atom, + lig_res_ref_conf_kdtree: dict[str, tuple[KDTree, list[int]]], + ref_pos: torch.Tensor, + ref_mask: torch.Tensor, + ) -> tuple[int, list[int]]: + """ + Ref: AlphaFold3 SI Chapter 4.3.2 + For ligands, we use the reference conformer of the ligand to construct the frame. + + Args: + token (Token): Token object. + centre_atom (Atom): Biotite Atom object of Token centre atom. + lig_res_ref_conf_kdtree (Dict[str, Tuple[KDTree, List[int]]]): A dictionary of KDTree objects and atom indices. + ref_pos (torch.Tensor): Atom positions in the reference conformer. Size=[N_atom, 3] + ref_mask (torch.Tensor): Mask indicating which atom slots are used in the reference conformer. Size=[N_atom] + + Returns: + tuple[int, List[int]]: + has_frame (int): 1 if the token has frame, 0 otherwise. + frame_atom_index (List[int]): The index of the atoms used to construct the frame. + """ + kdtree, atom_ids = lig_res_ref_conf_kdtree[centre_atom.ref_space_uid] + b_ref_pos = ref_pos[token.centre_atom_index] + b_idx = token.centre_atom_index + if kdtree is None: + # Atom num < 3 + frame_atom_index = [-1, b_idx, -1] + has_frame = 0 + else: + _dist, ind = kdtree.query([b_ref_pos], k=3) + a_idx, c_idx = atom_ids[ind[0][1]], atom_ids[ind[0][2]] + frame_atom_index = [a_idx, b_idx, c_idx] + + # Check if reference confomrer vaild + has_frame = all([ref_mask[idx] for idx in frame_atom_index]) + + # Colinear check + if has_frame: + theta_degrees = angle_3p(*[ref_pos[idx] for idx in frame_atom_index]) + if theta_degrees <= 25 or theta_degrees >= 155: + has_frame = 0 + return has_frame, frame_atom_index + + @staticmethod + def get_token_frame( + token_array: TokenArray, + atom_array: AtomArray, + ref_pos: torch.Tensor, + ref_mask: torch.Tensor, + ) -> TokenArray: + """ + Ref: AlphaFold3 SI Chapter 4.3.2 + The atoms (a_i, b_i, c_i) used to construct token i’s frame depend on the chain type of i: + Protein tokens use their residue’s backbone (N, Cα, C), + while DNA and RNA tokens use (C1′, C3′, C4′) atoms of their residue. + All other tokens (small molecules, glycans, ions) contain only one atom per token. + The token atom is assigned to b_i, the closest atom to the token atom is a_i, + and the second closest atom to the token atom is c_i. + If this set of three atoms is close to colinear (less than 25 degree deviation), + or if three atoms do not exist in the chain (e.g. a sodium ion), + then the frame is marked as invalid. + + Note: frames constucted from reference conformer + + Args: + token_array (TokenArray): A list of tokens. + atom_array (AtomArray): An atom array. + ref_pos (torch.Tensor): Atom positions in the reference conformer. Size=[N_atom, 3] + ref_mask (torch.Tensor): Mask indicating which atom slots are used in the reference conformer. Size=[N_atom] + + Returns: + TokenArray: A TokenArray with updated frame annotations. + - has_frame: 1 if the token has frame, 0 otherwise. + - frame_atom_index: The index of the atoms used to construct the frame. + """ + token_array_w_frame = copy.deepcopy(token_array) + + # Construct a KDTree for queries to avoid redundant distance calculations + lig_res_ref_conf_kdtree = {} + # Ligand and non-standard residues need to use ref to identify frames + lig_atom_array = atom_array[ + (atom_array.mol_type == "ligand") + | (~np.isin(atom_array.res_name, list(STD_RESIDUES.keys()))) + ] + for ref_space_uid in np.unique(lig_atom_array.ref_space_uid): + # The ref_space_uid is the unique identifier ID for each residue. + atom_ids = np.where(atom_array.ref_space_uid == ref_space_uid)[0] + if len(atom_ids) >= 3: + kdtree = KDTree(ref_pos[atom_ids], metric="euclidean") + else: + # Invalid frame + kdtree = None + lig_res_ref_conf_kdtree[ref_space_uid] = (kdtree, atom_ids) + + has_frame = [] + for token in token_array_w_frame: + centre_atom = atom_array[token.centre_atom_index] + if ( + centre_atom.mol_type != "ligand" + and centre_atom.res_name in STD_RESIDUES + ): + has_frame, frame_atom_index = Featurizer.get_prot_nuc_frame( + token, centre_atom + ) + + else: + has_frame, frame_atom_index = Featurizer.get_lig_frame( + token, centre_atom, lig_res_ref_conf_kdtree, ref_pos, ref_mask + ) + + token.has_frame = has_frame + token.frame_atom_index = frame_atom_index + return token_array_w_frame + + def get_token_features(self) -> dict[str, torch.Tensor]: + """ + Ref: AlphaFold3 SI Chapter 2.8 + + Get token features. + The size of these features is [N_token]. + + Returns: + Dict[str, torch.Tensor]: A dict of token features. + """ + token_features = {} + + centre_atoms_indices = self.cropped_token_array.get_annotation( + "centre_atom_index" + ) + centre_atoms = self.cropped_atom_array[centre_atoms_indices] + + restype = centre_atoms.cano_seq_resname + restype_onehot = self.restype_onehot_encoded(restype) + + token_features["token_index"] = torch.arange(0, len(self.cropped_token_array)) + token_features["residue_index"] = torch.Tensor( + centre_atoms.res_id.astype(int) + ).long() + token_features["asym_id"] = torch.Tensor(centre_atoms.asym_id_int).long() + token_features["entity_id"] = torch.Tensor(centre_atoms.entity_id_int).long() + token_features["sym_id"] = torch.Tensor(centre_atoms.sym_id_int).long() + token_features["restype"] = restype_onehot + + return token_features + + def get_chain_perm_features(self) -> dict[str, torch.Tensor]: + """ + The chain permutation use "entity_mol_id", "mol_id" and "mol_atom_index" + instead of the "entity_id", "asym_id" and "residue_index". + + The shape of these features is [N_atom]. + + Returns: + Dict[str, torch.Tensor]: A dict of chain permutation features. + """ + + chain_perm_features = {} + chain_perm_features["mol_id"] = torch.Tensor( + self.cropped_atom_array.mol_id + ).long() + chain_perm_features["mol_atom_index"] = torch.Tensor( + self.cropped_atom_array.mol_atom_index + ).long() + chain_perm_features["entity_mol_id"] = torch.Tensor( + self.cropped_atom_array.entity_mol_id + ).long() + return chain_perm_features + + def get_renamed_atom_names(self) -> np.ndarray: + """ + Rename the atom names of ligands to avioid information leakage. + + Returns: + np.ndarray: A numpy array of renamed atom names. + """ + res_starts = get_residue_starts( + self.cropped_atom_array, add_exclusive_stop=True + ) + new_atom_names = copy.deepcopy(self.cropped_atom_array.atom_name) + for start, stop in zip(res_starts[:-1], res_starts[1:]): + res_mol_type = self.cropped_atom_array.mol_type[start] + if res_mol_type != "ligand": + continue + + elem_count = defaultdict(int) + new_res_atom_names = [] + for elem in self.cropped_atom_array.element[start:stop]: + elem_count[elem] += 1 + new_res_atom_names.append(f"{elem.upper()}{elem_count[elem]}") + new_atom_names[start:stop] = new_res_atom_names + return new_atom_names + + def get_reference_features(self) -> dict[str, torch.Tensor]: + """ + Ref: AlphaFold3 SI Chapter 2.8 + + Get reference features. + The size of these features is [N_atom]. + + Returns: + Dict[str, torch.Tensor]: a dict of reference features. + """ + ref_pos = [] + for ref_space_uid in np.unique(self.cropped_atom_array.ref_space_uid): + res_ref_pos = random_transform( + self.cropped_atom_array.ref_pos[ + self.cropped_atom_array.ref_space_uid == ref_space_uid, + ], + apply_augmentation=self.ref_pos_augment, + centralize=True, + ) + ref_pos.append(res_ref_pos) + ref_pos = np.concatenate(ref_pos) + + ref_features = {} + ref_features["ref_pos"] = torch.Tensor(ref_pos) + ref_features["ref_mask"] = torch.Tensor(self.cropped_atom_array.ref_mask).long() + ref_features["ref_element"] = Featurizer.elem_onehot_encoded( + self.cropped_atom_array.element + ).long() + ref_features["ref_charge"] = torch.Tensor( + self.cropped_atom_array.ref_charge + ).long() + + if self.lig_atom_rename: + atom_names = self.get_renamed_atom_names() + else: + atom_names = self.cropped_atom_array.atom_name + + ref_features["ref_atom_name_chars"] = Featurizer.ref_atom_name_chars_encoded( + atom_names + ).long() + ref_features["ref_space_uid"] = torch.Tensor( + self.cropped_atom_array.ref_space_uid + ).long() + + token_array_with_frame = self.get_token_frame( + token_array=self.cropped_token_array, + atom_array=self.cropped_atom_array, + ref_pos=ref_features["ref_pos"], + ref_mask=ref_features["ref_mask"], + ) + ref_features["has_frame"] = torch.Tensor( + token_array_with_frame.get_annotation("has_frame") + ).long() # [N_token] + ref_features["frame_atom_index"] = torch.Tensor( + token_array_with_frame.get_annotation("frame_atom_index") + ).long() # [N_token, 3] + return ref_features + + def get_bond_features(self) -> dict[str, torch.Tensor]: + """ + Ref: AlphaFold3 SI Chapter 2.8 + A 2D matrix indicating if there is a bond between any atom in token i and token j, + restricted to just polymer-ligand and ligand-ligand bonds and bonds less than 2.4 Å during training. + The size of bond feature is [N_token, N_token]. + + Returns: + Dict[str, torch.Tensor]: A dict of bond features. + """ + bond_features = {} + num_tokens = len(self.cropped_token_array) + adj_matrix = self.cropped_atom_array.bonds.adjacency_matrix().astype(int) + + token_adj_matrix = np.zeros((num_tokens, num_tokens), dtype=int) + atom_bond_mask = adj_matrix > 0 + + for i in range(num_tokens): + atoms_i = self.cropped_token_array[i].atom_indices + token_i_mol_type = self.cropped_atom_array.mol_type[atoms_i[0]] + token_i_res_name = self.cropped_atom_array.res_name[atoms_i[0]] + token_i_ref_space_uid = self.cropped_atom_array.ref_space_uid[atoms_i[0]] + unstd_res_token_i = ( + token_i_res_name not in STD_RESIDUES and token_i_mol_type != "ligand" + ) + is_polymer_i = token_i_mol_type in ["protein", "dna", "rna"] + + for j in range(i + 1, num_tokens): + atoms_j = self.cropped_token_array[j].atom_indices + token_j_mol_type = self.cropped_atom_array.mol_type[atoms_j[0]] + token_j_res_name = self.cropped_atom_array.res_name[atoms_j[0]] + token_j_ref_space_uid = self.cropped_atom_array.ref_space_uid[ + atoms_j[0] + ] + unstd_res_token_j = ( + token_j_res_name not in STD_RESIDUES + and token_j_mol_type != "ligand" + ) + is_polymer_j = token_j_mol_type in ["protein", "dna", "rna"] + + # The polymer-polymer (std-std, std-unstd, and inter-unstd) bond will not be included in token_bonds. + if is_polymer_i and is_polymer_j: + is_same_res = token_i_ref_space_uid == token_j_ref_space_uid + unstd_res_bonds = unstd_res_token_i and unstd_res_token_j + if not (is_same_res and unstd_res_bonds): + continue + + sub_matrix = atom_bond_mask[np.ix_(atoms_i, atoms_j)] + if np.any(sub_matrix): + token_adj_matrix[i, j] = 1 + token_adj_matrix[j, i] = 1 + bond_features["token_bonds"] = torch.Tensor(token_adj_matrix) + return bond_features + + def get_extra_features(self) -> dict[str, torch.Tensor]: + """ + Get other features not listed in AlphaFold3 SI Chapter 2.8 Table 5. + The size of these features is [N_atom]. + + Returns: + Dict[str, torch.Tensor]: a dict of extra features. + """ + atom_to_token_idx_dict = {} + for idx, token in enumerate(self.cropped_token_array.tokens): + for atom_idx in token.atom_indices: + atom_to_token_idx_dict[atom_idx] = idx + + # Ensure the order of the atom_to_token_idx is the same as the atom_array + atom_to_token_idx = [ + atom_to_token_idx_dict[atom_idx] + for atom_idx in range(len(self.cropped_atom_array)) + ] + + extra_features = {} + extra_features["atom_to_token_idx"] = torch.Tensor(atom_to_token_idx).long() + extra_features["atom_to_tokatom_idx"] = torch.Tensor( + self.cropped_atom_array.tokatom_idx + ).long() + + extra_features["is_protein"] = torch.Tensor( + self.cropped_atom_array.is_protein + ).long() + extra_features["is_ligand"] = torch.Tensor( + self.cropped_atom_array.is_ligand + ).long() + extra_features["is_dna"] = torch.Tensor(self.cropped_atom_array.is_dna).long() + extra_features["is_rna"] = torch.Tensor(self.cropped_atom_array.is_rna).long() + if "resolution" in self.cropped_atom_array._annot: + extra_features["resolution"] = torch.Tensor( + [self.cropped_atom_array.resolution[0]] + ) + else: + extra_features["resolution"] = torch.Tensor([-1]) + return extra_features + + @staticmethod + def get_lig_pocket_mask( + atom_array: AtomArray, lig_label_asym_id: Union[str, list] + ) -> tuple[torch.Tensor, torch.Tensor]: + """ + Ref: AlphaFold3 Chapter Methods.Metrics + + the pocket is defined as all heavy atoms within 10 Å of any heavy atom of the ligand, + restricted to the primary polymer chain for the ligand or modified residue being scored, + and further restricted to only backbone atoms for proteins. The primary polymer chain is defined variously: + for PoseBusters it is the protein chain with the most atoms within 10 Å of the ligand, + for bonded ligand scores it is the bonded polymer chain and for modified residues it + is the chain that the residue is contained in (minus that residue). + + Args: + atom_array (AtomArray): atoms in the complex. + lig_label_asym_id (Union[str, List]): The label_asym_id of the ligand of interest. + + Returns: + tuple[torch.Tensor, torch.Tensor]: A tuple of ligand pocket mask and pocket mask. + """ + + if isinstance(lig_label_asym_id, str): + lig_label_asym_ids = [lig_label_asym_id] + else: + lig_label_asym_ids = list(lig_label_asym_id) + + # Get backbone mask + prot_backbone = ( + atom_array.is_protein & np.isin(atom_array.atom_name, ["C", "N", "CA"]) + ).astype(bool) + + kdtree = KDTree(atom_array.coord) + + ligand_mask_list = [] + pocket_mask_list = [] + for lig_label_asym_id in lig_label_asym_ids: + assert np.isin( + lig_label_asym_id, atom_array.label_asym_id + ), f"{lig_label_asym_id} is not in the label_asym_id of the cropped atom array." + + ligand_mask = atom_array.label_asym_id == lig_label_asym_id + lig_pos = atom_array.coord[ligand_mask] + + # Get atoms in 10 Angstrom radius + near_atom_indices = np.unique( + np.concatenate(kdtree.query_radius(lig_pos, 10.0)) + ) + near_atoms = [ + True if i in near_atom_indices else False + for i in range(len(atom_array)) + ] + + # Get primary chain (protein backone in 10 Angstrom radius) + primary_chain_candidates = near_atoms & prot_backbone + primary_chain_candidates_atoms = atom_array[primary_chain_candidates] + + max_atom = 0 + primary_chain_asym_id_int = None + for asym_id_int in np.unique(primary_chain_candidates_atoms.asym_id_int): + n_atoms = np.sum( + primary_chain_candidates_atoms.asym_id_int == asym_id_int + ) + if n_atoms > max_atom: + max_atom = n_atoms + primary_chain_asym_id_int = asym_id_int + assert ( + primary_chain_asym_id_int is not None + ), f"No primary chain found for ligand ({lig_label_asym_id=})." + + pocket_mask = primary_chain_candidates & ( + atom_array.asym_id_int == primary_chain_asym_id_int + ) + ligand_mask_list.append(ligand_mask) + pocket_mask_list.append(pocket_mask) + + ligand_mask_by_pockets = torch.Tensor( + np.array(ligand_mask_list).astype(int) + ).long() + pocket_mask_by_pockets = torch.Tensor( + np.array(pocket_mask_list).astype(int) + ).long() + return ligand_mask_by_pockets, pocket_mask_by_pockets + + def get_mask_features(self) -> dict[str, torch.Tensor]: + """ + Generate mask features for the cropped atom array. + + Returns: + Dict[str, torch.Tensor]: A dictionary containing various mask features. + """ + mask_features = {} + + mask_features["pae_rep_atom_mask"] = torch.Tensor( + self.cropped_atom_array.centre_atom_mask + ).long() + + mask_features["plddt_m_rep_atom_mask"] = torch.Tensor( + self.cropped_atom_array.plddt_m_rep_atom_mask + ).long() # [N_atom] + + mask_features["distogram_rep_atom_mask"] = torch.Tensor( + self.cropped_atom_array.distogram_rep_atom_mask + ).long() # [N_atom] + + mask_features["modified_res_mask"] = torch.Tensor( + self.cropped_atom_array.modified_res_mask + ).long() + + lig_polymer_bonds = get_ligand_polymer_bond_mask(self.cropped_atom_array) + num_atoms = len(self.cropped_atom_array) + bond_mask_mat = np.zeros((num_atoms, num_atoms)) + for i, j, _ in lig_polymer_bonds: + bond_mask_mat[i, j] = 1 + bond_mask_mat[j, i] = 1 + mask_features["bond_mask"] = torch.Tensor( + bond_mask_mat + ).long() # [N_atom, N_atom] + return mask_features + + def get_all_input_features(self): + """ + Get input features from cropped data. + + Returns: + Dict[str, torch.Tensor]: a dict of features. + """ + features = {} + token_features = self.get_token_features() + features.update(token_features) + + bond_features = self.get_bond_features() + features.update(bond_features) + + reference_features = self.get_reference_features() + features.update(reference_features) + + extra_features = self.get_extra_features() + features.update(extra_features) + + chain_perm_features = self.get_chain_perm_features() + features.update(chain_perm_features) + + mask_features = self.get_mask_features() + features.update(mask_features) + return features + + def get_labels(self) -> dict[str, torch.Tensor]: + """ + Get the input labels required for the training phase. + + Returns: + Dict[str, torch.Tensor]: a dict of labels. + """ + + labels = {} + + labels["coordinate"] = torch.Tensor( + self.cropped_atom_array.coord + ) # [N_atom, 3] + + labels["coordinate_mask"] = torch.Tensor( + self.cropped_atom_array.is_resolved.astype(int) + ).long() # [N_atom] + return labels + + def get_atom_permutation_list( + self, + ) -> list[list[int]]: + """ + Generate info of permutations. + + Returns: + List[List[int]]: a list of atom permutations. + """ + atom_perm_list = [] + for i in self.cropped_atom_array.res_perm: + # Decode list[str] -> list[list[int]] + atom_perm_list.append([int(j) for j in i.split("_")]) + + # Atoms connected to different residue are fixed. + # Bonds array: [[atom_idx_i, atom_idx_j, bond_type]] + idx_i = self.cropped_atom_array.bonds._bonds[:, 0] + idx_j = self.cropped_atom_array.bonds._bonds[:, 1] + diff_mask = ( + self.cropped_atom_array.ref_space_uid[idx_i] + != self.cropped_atom_array.ref_space_uid[idx_j] + ) + inter_residue_bonds = self.cropped_atom_array.bonds._bonds[diff_mask] + fixed_atom_mask = np.isin( + np.arange(len(self.cropped_atom_array)), + np.unique(inter_residue_bonds[:, :2]), + ) + + # Get fixed atom permutation for each residue. + fixed_atom_perm_list = [] + res_starts = get_residue_starts( + self.cropped_atom_array, add_exclusive_stop=True + ) + for r_start, r_stop in zip(res_starts[:-1], res_starts[1:]): + atom_res_perm = np.array( + atom_perm_list[r_start:r_stop] + ) # [N_res_atoms, N_res_perm] + res_fixed_atom_mask = fixed_atom_mask[r_start:r_stop] + + if np.sum(res_fixed_atom_mask) == 0: + # If all atoms in the residue are not fixed, e.g. ions + fixed_atom_perm_list.extend(atom_res_perm.tolist()) + continue + + # Create a [N_res_atoms, N_res_perm] template of indices + n_res_atoms, n_perm = atom_res_perm.shape + indices_template = ( + atom_res_perm[:, 0].reshape(n_res_atoms, 1).repeat(n_perm, axis=1) + ) + + # Identify the column where the positions of the fixed atoms remain unchanged + fixed_atom_perm = atom_res_perm[ + res_fixed_atom_mask + ] # [N_fixed_res_atoms, N_res_perm] + fixed_indices_template = indices_template[ + res_fixed_atom_mask + ] # [N_fixed_res_atoms, N_res_perm] + unchanged_columns_mask = np.all( + fixed_atom_perm == fixed_indices_template, axis=0 + ) + + # Remove the columns related to the position changes of fixed atoms. + fiedx_atom_res_perm = atom_res_perm[:, unchanged_columns_mask] + fixed_atom_perm_list.extend(fiedx_atom_res_perm.tolist()) + return fixed_atom_perm_list + + @staticmethod + def get_gt_full_complex_features( + atom_array: AtomArray, + cropped_atom_array: AtomArray = None, + get_cropped_asym_only: bool = True, + ) -> dict[str, torch.Tensor]: + """Get full ground truth complex features. + It is used for multi-chain permutation alignment. + + Args: + atom_array (AtomArray): all atoms in the complex. + cropped_atom_array (AtomArray, optional): cropped atoms. Defaults to None. + get_cropped_asym_only (bool, optional): Defaults to True. + - If true, a chain is returned only if its asym_id (mol_id) appears in the + cropped_atom_array. It should be a favored setting for the spatial cropping. + - If false, a chain is returned if its entity_id (entity_mol_id) appears in + the cropped_atom_array. + + Returns: + Dict[str, torch.Tensor]: a dictionary containing + coordinate, coordinate_mask, etc. + """ + gt_features = {} + + if cropped_atom_array is not None: + # Get the cropped part of gt entities + entity_atom_set = set( + zip( + cropped_atom_array.entity_mol_id, + cropped_atom_array.mol_atom_index, + ) + ) + mask = [ + (entity, atom) in entity_atom_set + for (entity, atom) in zip( + atom_array.entity_mol_id, atom_array.mol_atom_index + ) + ] + + if get_cropped_asym_only: + # Restrict to asym chains appeared in cropped_atom_array + asyms = np.unique(cropped_atom_array.mol_id) + mask = mask * np.isin(atom_array.mol_id, asyms) + atom_array = atom_array[mask] + + gt_features["coordinate"] = torch.Tensor(atom_array.coord) + gt_features["coordinate_mask"] = torch.Tensor(atom_array.is_resolved).long() + gt_features["entity_mol_id"] = torch.Tensor(atom_array.entity_mol_id).long() + gt_features["mol_id"] = torch.Tensor(atom_array.mol_id).long() + gt_features["mol_atom_index"] = torch.Tensor(atom_array.mol_atom_index).long() + gt_features["pae_rep_atom_mask"] = torch.Tensor( + atom_array.centre_atom_mask + ).long() + return gt_features, atom_array diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/filter.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/filter.py new file mode 100644 index 0000000000000000000000000000000000000000..d9d05b43007dea83d425e039ed4064ae66426f81 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/filter.py @@ -0,0 +1,82 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import biotite.structure as struc +import numpy as np +from biotite.structure import AtomArray + +from protenix.data.constants import CRYSTALLIZATION_AIDS + + +class Filter(object): + """ + Ref: AlphaFold3 SI Chapter 2.5.4 + """ + + @staticmethod + def remove_hydrogens(atom_array: AtomArray) -> AtomArray: + """remove hydrogens and deuteriums""" + return atom_array[~np.isin(atom_array.element, ["H", "D"])] + + @staticmethod + def remove_water(atom_array: AtomArray) -> AtomArray: + """remove water (HOH) and deuterated water (DOD)""" + return atom_array[~np.isin(atom_array.res_name, ["HOH", "DOD"])] + + @staticmethod + def remove_element_X(atom_array: AtomArray) -> AtomArray: + """ + remove element X + following residues have element X: + - UNX: unknown one atom or ion + - UNL: unknown ligand, some atoms are marked as X + - ASX: ASP/ASN ambiguous, two ambiguous atoms are marked as X, 6 entries in the PDB + - GLX: GLU/GLN ambiguous, two ambiguous atoms are marked as X, 5 entries in the PDB + """ + X_mask = np.zeros(len(atom_array), dtype=bool) + starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + for start, stop in zip(starts[:-1], starts[1:]): + res_name = atom_array.res_name[start] + if res_name in ["UNX", "UNL"]: + X_mask[start:stop] = True + atom_array = atom_array[~X_mask] + + # map ASX to ASP, as ASP is more symmetric than ASN + mask = atom_array.res_name == "ASX" + atom_array.res_name[mask] = "ASP" + atom_array.atom_name[mask & (atom_array.atom_name == "XD1")] = "OD1" + atom_array.atom_name[mask & (atom_array.atom_name == "XD2")] = "OD2" + atom_array.element[mask & (atom_array.element == "X")] = "O" + + # map GLX to GLU, as GLU is more symmetric than GLN + mask = atom_array.res_name == "GLX" + atom_array.res_name[mask] = "GLU" + atom_array.atom_name[mask & (atom_array.atom_name == "XE1")] = "OE1" + atom_array.atom_name[mask & (atom_array.atom_name == "XE2")] = "OE2" + atom_array.element[mask & (atom_array.element == "X")] = "O" + return atom_array + + @staticmethod + def remove_crystallization_aids( + atom_array: AtomArray, entity_poly_type: dict + ) -> AtomArray: + """remove crystallization aids, eg: SO4, GOL, etc. + + Only remove crystallization aids if the chain is not polymer. + + Ref: AlphaFold3 SI Chapter 2.5.4 + """ + non_aids_mask = ~np.isin(atom_array.res_name, CRYSTALLIZATION_AIDS) + poly_mask = np.isin(atom_array.label_entity_id, list(entity_poly_type.keys())) + return atom_array[poly_mask | non_aids_mask] diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/infer_data_pipeline.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/infer_data_pipeline.py new file mode 100644 index 0000000000000000000000000000000000000000..e443a711cca80998e5e7d863a76f9879869665ef --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/infer_data_pipeline.py @@ -0,0 +1,220 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import json +import logging +import time +import traceback +import warnings +from typing import Any, Mapping + +import torch +from biotite.structure import AtomArray +from torch.utils.data import DataLoader, Dataset, DistributedSampler + +from protenix.data.data_pipeline import DataPipeline +from protenix.data.json_to_feature import SampleDictToFeatures +from protenix.data.msa_featurizer import InferenceMSAFeaturizer +from protenix.data.utils import data_type_transform, make_dummy_feature +from protenix.utils.distributed import DIST_WRAPPER +from protenix.utils.torch_utils import dict_to_tensor + +logger = logging.getLogger(__name__) + +warnings.filterwarnings("ignore", module="biotite") + + +def get_inference_dataloader(configs: Any) -> DataLoader: + """ + Creates and returns a DataLoader for inference using the InferenceDataset. + + Args: + configs: A configuration object containing the necessary parameters for the DataLoader. + + Returns: + A DataLoader object configured for inference. + """ + inference_dataset = InferenceDataset( + input_json_path=configs.input_json_path, + dump_dir=configs.dump_dir, + use_msa=configs.use_msa, + ) + sampler = DistributedSampler( + dataset=inference_dataset, + num_replicas=DIST_WRAPPER.world_size, + rank=DIST_WRAPPER.rank, + shuffle=False, + ) + dataloader = DataLoader( + dataset=inference_dataset, + batch_size=1, + sampler=sampler, + collate_fn=lambda batch: batch, + num_workers=configs.num_workers, + ) + return dataloader + + +class InferenceDataset(Dataset): + def __init__( + self, + input_json_path: str, + dump_dir: str, + use_msa: bool = True, + ) -> None: + + self.input_json_path = input_json_path + self.dump_dir = dump_dir + self.use_msa = use_msa + with open(self.input_json_path, "r") as f: + self.inputs = json.load(f) + + def process_one( + self, + single_sample_dict: Mapping[str, Any], + ) -> tuple[dict[str, torch.Tensor], AtomArray, dict[str, float]]: + """ + Processes a single sample from the input JSON to generate features and statistics. + + Args: + single_sample_dict: A dictionary containing the sample data. + + Returns: + A tuple containing: + - A dictionary of features. + - An AtomArray object. + - A dictionary of time tracking statistics. + """ + # general features + t0 = time.time() + sample2feat = SampleDictToFeatures( + single_sample_dict, + ) + features_dict, atom_array, token_array = sample2feat.get_feature_dict() + features_dict["distogram_rep_atom_mask"] = torch.Tensor( + atom_array.distogram_rep_atom_mask + ).long() + entity_poly_type = sample2feat.entity_poly_type + t1 = time.time() + + # Msa features + entity_to_asym_id = DataPipeline.get_label_entity_id_to_asym_id_int(atom_array) + msa_features = ( + InferenceMSAFeaturizer.make_msa_feature( + bioassembly=single_sample_dict["sequences"], + entity_to_asym_id=entity_to_asym_id, + token_array=token_array, + atom_array=atom_array, + ) + if self.use_msa + else {} + ) + + # Make dummy features for not implemented features + dummy_feats = ["template"] + if len(msa_features) == 0: + dummy_feats.append("msa") + else: + msa_features = dict_to_tensor(msa_features) + features_dict.update(msa_features) + features_dict = make_dummy_feature( + features_dict=features_dict, + dummy_feats=dummy_feats, + ) + + # Transform to right data type + feat = data_type_transform(feat_or_label_dict=features_dict) + + t2 = time.time() + + data = {} + data["input_feature_dict"] = feat + + # Add dimension related items + N_token = feat["token_index"].shape[0] + N_atom = feat["atom_to_token_idx"].shape[0] + N_msa = feat["msa"].shape[0] + + stats = {} + for mol_type in ["ligand", "protein", "dna", "rna"]: + mol_type_mask = feat[f"is_{mol_type}"].bool() + stats[f"{mol_type}/atom"] = int(mol_type_mask.sum(dim=-1).item()) + stats[f"{mol_type}/token"] = len( + torch.unique(feat["atom_to_token_idx"][mol_type_mask]) + ) + + N_asym = len(torch.unique(data["input_feature_dict"]["asym_id"])) + data.update( + { + "N_asym": torch.tensor([N_asym]), + "N_token": torch.tensor([N_token]), + "N_atom": torch.tensor([N_atom]), + "N_msa": torch.tensor([N_msa]), + } + ) + + def formatted_key(key): + type_, unit = key.split("/") + if type_ == "protein": + type_ = "prot" + elif type_ == "ligand": + type_ = "lig" + else: + pass + return f"N_{type_}_{unit}" + + data.update( + { + formatted_key(k): torch.tensor([stats[k]]) + for k in [ + "protein/atom", + "ligand/atom", + "dna/atom", + "rna/atom", + "protein/token", + "ligand/token", + "dna/token", + "rna/token", + ] + } + ) + data.update({"entity_poly_type": entity_poly_type}) + t3 = time.time() + time_tracker = { + "crop": t1 - t0, + "featurizer": t2 - t1, + "added_feature": t3 - t2, + } + + return data, atom_array, time_tracker + + def __len__(self) -> int: + return len(self.inputs) + + def __getitem__(self, index: int) -> tuple[dict[str, torch.Tensor], AtomArray, str]: + try: + single_sample_dict = self.inputs[index] + sample_name = single_sample_dict["name"] + logger.info(f"Featurizing {sample_name}...") + + data, atom_array, _ = self.process_one( + single_sample_dict=single_sample_dict + ) + error_message = "" + except Exception as e: + data, atom_array = {}, None + error_message = f"{e}:\n{traceback.format_exc()}" + data["sample_name"] = single_sample_dict["name"] + data["sample_index"] = index + return data, atom_array, error_message diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_maker.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_maker.py new file mode 100644 index 0000000000000000000000000000000000000000..02ca3b9ffe919315acc78c352176a1fe9c1b246e --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_maker.py @@ -0,0 +1,296 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + + +import copy +import json +import os +from collections import defaultdict + +import numpy as np +from biotite.structure import AtomArray, get_chain_starts, get_residue_starts + +from protenix.data.constants import STD_RESIDUES +from protenix.data.filter import Filter +from protenix.data.parser import AddAtomArrayAnnot, MMCIFParser +from protenix.data.utils import get_lig_lig_bonds, get_ligand_polymer_bond_mask + + +def merge_covalent_bonds( + covalent_bonds: list[dict], all_entity_counts: dict[str, int] +) -> list[dict]: + """ + Merge covalent bonds with same entity and position. + + Args: + covalent_bonds (list[dict]): A list of covalent bond dicts. + all_entity_counts (dict[str, int]): A dict of entity id to chain count. + + Returns: + list[dict]: A list of merged covalent bond dicts. + """ + bonds_recorder = defaultdict(list) + bonds_entity_counts = {} + for bond_dict in covalent_bonds: + bond_unique_string = [] + entity_counts = ( + all_entity_counts[str(bond_dict["left_entity"])], + all_entity_counts[str(bond_dict["right_entity"])], + ) + for i in ["left", "right"]: + for j in ["entity", "position", "atom"]: + k = f"{i}_{j}" + bond_unique_string.append(str(bond_dict[k])) + bond_unique_string = "_".join(bond_unique_string) + bonds_recorder[bond_unique_string].append(bond_dict) + bonds_entity_counts[bond_unique_string] = entity_counts + + merged_covalent_bonds = [] + for k, v in bonds_recorder.items(): + left_counts = bonds_entity_counts[k][0] + right_counts = bonds_entity_counts[k][1] + if left_counts == right_counts == len(v): + bond_dict_copy = copy.deepcopy(v[0]) + del bond_dict_copy["left_copy"] + del bond_dict_copy["right_copy"] + merged_covalent_bonds.append(bond_dict_copy) + else: + merged_covalent_bonds.extend(v) + return merged_covalent_bonds + + +def atom_array_to_input_json( + atom_array: AtomArray, + parser: MMCIFParser, + assembly_id: str = None, + output_json: str = None, + sample_name=None, + save_entity_and_asym_id=False, +) -> dict: + """ + Convert a Biotite AtomArray to a dict that can be used as input to the model. + + Args: + atom_array (AtomArray): Biotite Atom array. + parser (MMCIFParser): Instantiated Protenix MMCIFParer. + assembly_id (str, optional): Assembly ID. Defaults to None. + output_json (str, optional): Output json file path. Defaults to None. + sample_name (_type_, optional): The "name" filed in json file. Defaults to None. + save_entity_and_asym_id (bool, optional): Whether to save entity and asym ids to json. + Defaults to False. + + Returns: + dict: Protenix input json dict. + """ + # get sequences after modified AtomArray + entity_seq = parser.get_sequences(atom_array) + + # add unique chain id + atom_array = AddAtomArrayAnnot.unique_chain_and_add_ids(atom_array) + + # get lig entity sequences and position + label_entity_id_to_sequences = {} + lig_chain_ids = [] # record chain_id of the first asym chain + for label_entity_id in np.unique(atom_array.label_entity_id): + if label_entity_id not in parser.entity_poly_type: + current_lig_chain_ids = np.unique( + atom_array.chain_id[atom_array.label_entity_id == label_entity_id] + ).tolist() + lig_chain_ids += current_lig_chain_ids + for chain_id in current_lig_chain_ids: + lig_atom_array = atom_array[atom_array.chain_id == chain_id] + starts = get_residue_starts(lig_atom_array, add_exclusive_stop=True) + seq = lig_atom_array.res_name[starts[:-1]].tolist() + label_entity_id_to_sequences[label_entity_id] = seq + + # find polymer modifications + entity_id_to_mod_list = {} + for entity_id, res_names in parser.get_poly_res_names(atom_array).items(): + modifications_list = [] + for idx, res_name in enumerate(res_names): + if res_name not in STD_RESIDUES: + position = idx + 1 + modifications_list.append([position, f"CCD_{res_name}"]) + if modifications_list: + entity_id_to_mod_list[entity_id] = modifications_list + + chain_starts = get_chain_starts(atom_array, add_exclusive_stop=False) + chain_starts_atom_array = atom_array[chain_starts] + + json_dict = { + "sequences": [], + } + if assembly_id is not None: + json_dict["assembly_id"] = assembly_id + + unique_label_entity_id = np.unique(atom_array.label_entity_id) + label_entity_id_to_entity_id_in_json = {} + chain_id_to_copy_id_dict = {} + for idx, label_entity_id in enumerate(unique_label_entity_id): + entity_id_in_json = str(idx + 1) + label_entity_id_to_entity_id_in_json[label_entity_id] = entity_id_in_json + chain_ids_in_entity = chain_starts_atom_array.chain_id[ + chain_starts_atom_array.label_entity_id == label_entity_id + ] + for chain_count, chain_id in enumerate(chain_ids_in_entity): + chain_id_to_copy_id_dict[chain_id] = chain_count + 1 + copy_id = np.vectorize(chain_id_to_copy_id_dict.get)(atom_array.chain_id) + atom_array.set_annotation("copy_id", copy_id) + + all_entity_counts = {} + skipped_entity_id = [] + for label_entity_id in unique_label_entity_id: + entity_dict = {} + asym_chains = chain_starts_atom_array[ + chain_starts_atom_array.label_entity_id == label_entity_id + ] + entity_type = parser.entity_poly_type.get(label_entity_id, "ligand") + if entity_type != "ligand": + if entity_type == "polypeptide(L)": + entity_type = "proteinChain" + elif entity_type == "polydeoxyribonucleotide": + entity_type = "dnaSequence" + elif entity_type == "polyribonucleotide": + entity_type = "rnaSequence" + else: + # DNA/RNA hybrid, polypeptide(D), etc. + skipped_entity_id.append(label_entity_id) + continue + + sequence = entity_seq.get(label_entity_id) + entity_dict["sequence"] = sequence + else: + # ligand + lig_ccd = "_".join(label_entity_id_to_sequences[label_entity_id]) + entity_dict["ligand"] = f"CCD_{lig_ccd}" + entity_dict["count"] = len(asym_chains) + all_entity_counts[label_entity_id_to_entity_id_in_json[label_entity_id]] = len( + asym_chains + ) + if save_entity_and_asym_id: + entity_dict["label_entity_id"] = str(label_entity_id) + entity_dict["label_asym_id"] = asym_chains.label_asym_id.tolist() + + # add PTM info + if label_entity_id in entity_id_to_mod_list: + modifications = entity_id_to_mod_list[label_entity_id] + if entity_type == "proteinChain": + entity_dict["modifications"] = [ + {"ptmPosition": position, "ptmType": mod_ccd_code} + for position, mod_ccd_code in modifications + ] + else: + entity_dict["modifications"] = [ + {"basePosition": position, "modificationType": mod_ccd_code} + for position, mod_ccd_code in modifications + ] + + json_dict["sequences"].append({entity_type: entity_dict}) + + # skip some uncommon entities + atom_array = atom_array[~np.isin(atom_array.label_entity_id, skipped_entity_id)] + + # add covalent bonds + atom_array = AddAtomArrayAnnot.add_token_mol_type( + atom_array, parser.entity_poly_type + ) + lig_polymer_bonds = get_ligand_polymer_bond_mask(atom_array, lig_include_ions=False) + lig_lig_bonds = get_lig_lig_bonds(atom_array, lig_include_ions=False) + inter_entity_bonds = np.vstack((lig_polymer_bonds, lig_lig_bonds)) + + lig_indices = np.where(np.isin(atom_array.chain_id, lig_chain_ids))[0] + lig_bond_mask = np.any(np.isin(inter_entity_bonds[:, :2], lig_indices), axis=1) + inter_entity_bonds = inter_entity_bonds[lig_bond_mask] # select bonds of ligands + if inter_entity_bonds.size != 0: + covalent_bonds = [] + for atoms in inter_entity_bonds[:, :2]: + bond_dict = {} + for idx, i in enumerate(["left", "right"]): + atom = atom_array[atoms[idx]] + positon = atom.res_id + bond_dict[f"{i}_entity"] = int( + label_entity_id_to_entity_id_in_json[atom.label_entity_id] + ) + bond_dict[f"{i}_position"] = int(positon) + bond_dict[f"{i}_atom"] = atom.atom_name + bond_dict[f"{i}_copy"] = int(atom.copy_id) + + covalent_bonds.append(bond_dict) + + # merge covalent_bonds for same entity + merged_covalent_bonds = merge_covalent_bonds(covalent_bonds, all_entity_counts) + json_dict["covalent_bonds"] = merged_covalent_bonds + + json_dict["name"] = sample_name + + if output_json is not None: + with open(output_json, "w") as f: + json.dump([json_dict], f, indent=4) + return json_dict + + +def cif_to_input_json( + mmcif_file: str, + assembly_id: str = None, + altloc="first", + output_json: str = None, + sample_name=None, + save_entity_and_asym_id=False, +) -> dict: + """ + Convert mmcif file to Protenix input json file. + + Args: + mmcif_file (str): mmCIF file path. + assembly_id (str, optional): Assembly ID. Defaults to None. + altloc (str, optional): Altloc selection. Defaults to "first". + output_json (str, optional): Output json file path. Defaults to None. + sample_name (_type_, optional): The "name" filed in json file. Defaults to None. + save_entity_and_asym_id (bool, optional): Whether to save entity and asym ids to json. + Defaults to False. + + Returns: + dict: Protenix input json dict. + """ + parser = MMCIFParser(mmcif_file) + atom_array = parser.get_structure(altloc, model=1, bond_lenth_threshold=None) + + # remove HOH from entities + atom_array = Filter.remove_water(atom_array) + atom_array = Filter.remove_hydrogens(atom_array) + atom_array = parser.mse_to_met(atom_array) + atom_array = Filter.remove_element_X(atom_array) + + # remove crystallization_aids + if any(["DIFFRACTION" in m for m in parser.methods]): + atom_array = Filter.remove_crystallization_aids( + atom_array, parser.entity_poly_type + ) + + if assembly_id is not None: + # expand created AtomArray by expand bioassembly + atom_array = parser.expand_assembly(atom_array, assembly_id) + + if sample_name is None: + sample_name = os.path.basename(mmcif_file).split(".")[0] + + json_dict = atom_array_to_input_json( + atom_array, + parser, + assembly_id, + output_json, + sample_name, + save_entity_and_asym_id=save_entity_and_asym_id, + ) + return json_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_parser.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_parser.py new file mode 100644 index 0000000000000000000000000000000000000000..a40bf42f5764844d4fa0b3a620ccd2cc09dee638 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_parser.py @@ -0,0 +1,608 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import copy +import logging +import random +import warnings +from collections import Counter +from typing import Any + +import biotite.structure as struc +import numpy as np +from biotite.structure import AtomArray +from rdkit import Chem +from rdkit.Chem import AllChem + +from protenix.data import ccd + +logger = logging.getLogger(__name__) + + +DNA_1to3 = { + "A": "DA", + "G": "DG", + "C": "DC", + "T": "DT", + "X": "DN", + "I": "DI", # eg: pdb 114d + "N": "DN", # eg: pdb 7r6t-3DR + "U": "DU", # eg: pdb 7sd8 +} +RNA_1to3 = { + "A": "A", + "G": "G", + "C": "C", + "U": "U", + "X": "N", + "I": "I", # eg: pdb 7wv5 + "N": "N", +} + +PROTEIN_1to3 = { + "A": "ALA", + "R": "ARG", + "N": "ASN", + "D": "ASP", + "C": "CYS", + "Q": "GLN", + "E": "GLU", + "G": "GLY", + "H": "HIS", + "I": "ILE", + "L": "LEU", + "K": "LYS", + "M": "MET", + "F": "PHE", + "P": "PRO", + "S": "SER", + "T": "THR", + "W": "TRP", + "Y": "TYR", + "V": "VAL", + "X": "UNK", +} + + +def add_reference_features(atom_array: AtomArray) -> AtomArray: + """ + Add reference features of each resiude to atom_array + + Args: + atom_array (AtomArray): biotite AtomArray + + Returns: + AtomArray: biotite AtomArray with reference features + - ref_pos: reference conformer atom positions + - ref_charge (n): reference conformer atom charges + - ref_mask: reference conformer atom masks + """ + atom_count = len(atom_array) + ref_pos = np.zeros((atom_count, 3), dtype=np.float32) + ref_charge = np.zeros(atom_count, dtype=int) + ref_mask = np.zeros(atom_count, dtype=int) + + starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + for start, stop in zip(starts[:-1], starts[1:]): + res_name = atom_array.res_name[start] + if res_name == "UNL": + # UNL is smiles ligand, copy info from atom_array + ref_pos[start:stop] = atom_array.coord[start:stop] + ref_charge[start:stop] = atom_array.charge[start:stop] + ref_mask[start:stop] = 1 + continue + + ref_info = ccd.get_ccd_ref_info(res_name) + if ref_info: + atom_sub_idx = [ + *map(ref_info["atom_map"].get, atom_array.atom_name[start:stop]) + ] + ref_pos[start:stop] = ref_info["coord"][atom_sub_idx] + ref_charge[start:stop] = ref_info["charge"][atom_sub_idx] + ref_mask[start:stop] = ref_info["mask"][atom_sub_idx] + else: + logging.warning(f"no reference info for {res_name}") + + atom_array.set_annotation("ref_pos", ref_pos) + atom_array.set_annotation("ref_charge", ref_charge) + atom_array.set_annotation("ref_mask", ref_mask) + return atom_array + + +def _remove_non_std_ccd_leaving_atoms(atom_array: AtomArray) -> AtomArray: + """ + Check polymer connections and remove non-standard leaving atoms + + Args: + atom_array (AtomArray): biotite AtomArray + + Returns: + AtomArray: biotite AtomArray with leaving atoms removed. + """ + connected = np.zeros(atom_array.res_id[-1], dtype=bool) + for i, j, t in atom_array.bonds._bonds: + if abs(atom_array.res_id[i] - atom_array.res_id[j]) == 1: + connected[atom_array.res_id[[i, j]].min()] = True + + leaving_atoms = np.zeros(len(atom_array), dtype=bool) + for res_id, conn in enumerate(connected): + if res_id == 0 or conn: + continue + + # Res_id start from 1 + res_name_i = atom_array.res_name[atom_array.res_id == res_id][0] + res_name_j = atom_array.res_name[atom_array.res_id == res_id + 1][0] + warnings.warn( + f"No C-N or O3'-P bond between residue {res_name_i}({res_id}) and residue {res_name_j}({res_id+1}). \n" + f"all leaving atoms will be removed for both residues." + ) + for idx, res_name in zip([res_id, res_id + 1], [res_name_i, res_name_j]): + staying_atoms = ccd.get_component_atom_array( + res_name, keep_leaving_atoms=False, keep_hydrogens=False + ).atom_name + if idx == 1 and ccd.get_mol_type(res_name) in ("dna", "rna"): + staying_atoms = np.append(staying_atoms, ["OP3"]) + if idx == atom_array.res_id[-1] and ccd.get_mol_type(res_name) == "protein": + staying_atoms = np.append(staying_atoms, ["OXT"]) + leaving_atoms |= (atom_array.res_id == idx) & ( + ~np.isin(atom_array.atom_name, staying_atoms) + ) + return atom_array[~leaving_atoms] + + +def find_range_by_index(starts: np.ndarray, atom_index: int) -> tuple[int, int]: + """ + Find the residue range of an atom index + + Args: + starts (np.ndarray): Residue starts or Chain starts with exclusive stop. + atom_index (int): Atom index. + + Returns: + tuple[int, int]: range (start, stop). + """ + for start, stop in zip(starts[:-1], starts[1:]): + if start <= atom_index < stop: + return start, stop + raise ValueError(f"atom_index {atom_index} not found in starts {starts}") + + +def remove_leaving_atoms(atom_array: AtomArray, bond_count: dict) -> AtomArray: + """ + Remove leaving atoms based on ccd info + + Args: + atom_array (AtomArray): Biotite Atom array. + bond_count (dict): atom index -> Bond count. + + Returns: + AtomArray: Biotite Atom array with leaving atoms removed. + """ + remove_indices = [] + res_starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + for centre_idx, b_count in bond_count.items(): + res_name = atom_array.res_name[centre_idx] + centre_name = atom_array.atom_name[centre_idx] + + comp = ccd.get_component_atom_array( + res_name, keep_leaving_atoms=True, keep_hydrogens=False + ) + if comp is None: + continue + + leaving_groups = comp.central_to_leaving_groups.get(centre_name) + if leaving_groups is None: + continue + + if b_count > len(leaving_groups): + warnings.warn( + f"centre atom {centre_name=} {res_name=} {centre_idx=} has {b_count} inter residue bonds, greater than number of leaving groups:{leaving_groups}, remove all leaving atoms.\n" + f"atom info: {atom_array[centre_idx]=}" + ) + remove_groups = leaving_groups + else: + remove_groups = random.sample(leaving_groups, b_count) + + start, stop = find_range_by_index(res_starts, centre_idx) + + # Find leaving atom indices + for group in remove_groups: + for atom_name in group: + leaving_idx = np.where(atom_array.atom_name[start:stop] == atom_name)[0] + if len(leaving_idx) == 0: + logging.info(f"{atom_name=} not found in residue {res_name}, ") + continue + + remove_indices.append(leaving_idx[0] + start) + + if not remove_indices: + return atom_array + + keep_mask = np.ones(len(atom_array), dtype=bool) + keep_mask[remove_indices] = False + return atom_array[keep_mask] + + +def _add_bonds_to_terminal_residues(atom_array: AtomArray) -> AtomArray: + """ + Add bonds to terminal residues (eg: ACE, NME) + + Args: + atom_array (AtomArray): Biotite AtomArray + + Returns: + AtomArray: Biotite AtomArray with non-standard polymer bonds + """ + + if atom_array.res_name[0] == "ACE": + term_res_idx = atom_array.res_id[0] + next_res_idx = term_res_idx + 1 + term_atom_idx = np.where( + (atom_array.res_id == term_res_idx) & (atom_array.atom_name == "C") + )[0] + next_atom_idx = np.where( + (atom_array.res_id == next_res_idx) & (atom_array.atom_name == "N") + )[0] + if len(term_atom_idx) > 0 and len(next_atom_idx) > 0: + atom_array.bonds.add_bond(term_atom_idx[0], next_atom_idx[0], 1) + + if atom_array.res_name[-1] == "NME": + term_res_idx = atom_array.res_id[-1] + prev_res_idx = term_res_idx - 1 + term_atom_idx = np.where( + (atom_array.res_id == term_res_idx) & (atom_array.atom_name == "N") + )[0] + prev_atom_idx = np.where( + (atom_array.res_id == prev_res_idx) & (atom_array.atom_name == "C") + )[0] + if len(prev_atom_idx) > 0 and len(term_atom_idx) > 0: + atom_array.bonds.add_bond(prev_atom_idx[0], term_atom_idx[0], 1) + + return atom_array + + +def _build_polymer_atom_array(ccd_seqs: list[str]) -> tuple[AtomArray, struc.BondList]: + """ + Build polymer atom_array from ccd codes, but not remove leaving atoms + + Args: + ccd_seqs: a list of ccd code in sequence, ["MET", "ALA"] or ["DA", "DT"] + + Returns: + AtomArray: Biotite AtomArray of chain + BondList: Biotite BondList of polymer bonds (C-N or O3'-P) + """ + chain = struc.AtomArray(0) + for res_id, res_name in enumerate(ccd_seqs): + # Keep all leaving atoms, will remove leaving atoms later + residue = ccd.get_component_atom_array( + res_name, keep_leaving_atoms=True, keep_hydrogens=False + ) + residue.res_id[:] = res_id + 1 + chain += residue + res_starts = struc.get_residue_starts(chain, add_exclusive_stop=True) + polymer_bonds = ccd._connect_inter_residue(chain, res_starts) + + if chain.bonds is None: + chain.bonds = polymer_bonds + else: + chain.bonds = chain.bonds.merge(polymer_bonds) + + chain = _add_bonds_to_terminal_residues(chain) + + bond_count = {} + for i, j, t in polymer_bonds._bonds: + bond_count[i] = bond_count.get(i, 0) + 1 + bond_count[j] = bond_count.get(j, 0) + 1 + + chain = remove_leaving_atoms(chain, bond_count) + + chain = _remove_non_std_ccd_leaving_atoms(chain) + + return chain + + +def build_polymer(entity_info: dict) -> dict: + """ + Build a polymer from a polymer info dict + example: { + "name": "polymer", + "sequence": "GPDSMEEVVVPEEPPKLVSALATYVQQERLCTMFLSIANKLLPLKP", + "count": 1 + } + + Args: + item (dict): polymer info dict + + Returns: + dict: {"atom_array": biotite_AtomArray_object} + """ + poly_type, info = list(entity_info.items())[0] + if poly_type == "proteinChain": + ccd_seqs = [PROTEIN_1to3[x] for x in info["sequence"]] + if modifications := info.get("modifications"): + for m in modifications: + index = m["ptmPosition"] - 1 + mtype = m["ptmType"] + if mtype.startswith("CCD_"): + ccd_seqs[index] = mtype[4:] + else: + raise ValueError(f"unknown modification type: {mtype}") + if glycans := info.get("glycans"): + logging.warning(f"glycans not supported: {glycans}") + chain_array = _build_polymer_atom_array(ccd_seqs) + + elif poly_type in ("dnaSequence", "rnaSequence"): + map_1to3 = DNA_1to3 if poly_type == "dnaSequence" else RNA_1to3 + ccd_seqs = [map_1to3[x] for x in info["sequence"]] + if modifications := info.get("modifications"): + for m in modifications: + index = m["basePosition"] - 1 + mtype = m["modificationType"] + if mtype.startswith("CCD_"): + ccd_seqs[index] = mtype[4:] + else: + raise ValueError(f"unknown modification type: {mtype}") + chain_array = _build_polymer_atom_array(ccd_seqs) + + else: + raise ValueError( + "polymer type must be proteinChain, dnaSequence or rnaSequence" + ) + chain_array = add_reference_features(chain_array) + return {"atom_array": chain_array} + + +def rdkit_mol_to_atom_array(mol: Chem.Mol, removeHs: bool = True) -> AtomArray: + """ + Convert rdkit mol to biotite AtomArray + + Args: + mol (Chem.Mol): rdkit mol + removeHs (bool): whether to remove hydrogens in atom_array + + Returns: + AtomArray: biotite AtomArray + """ + atom_count = mol.GetNumAtoms() + atom_array = AtomArray(atom_count) + atom_array.hetero[:] = True + atom_array.res_name[:] = "UNL" + atom_array.add_annotation("charge", int) + + conf = mol.GetConformer() + coord = conf.GetPositions() + + element_count = Counter() + for i, atom in enumerate(mol.GetAtoms()): + element = atom.GetSymbol().upper() + element_count[element] += 1 + atom_name = f"{element}{element_count[element]}" + + atom.SetProp("name", atom_name) + + atom_array.atom_name[i] = atom_name + atom_array.element[i] = element + atom_array.charge[i] = atom.GetFormalCharge() + atom_array.coord[i, :] = coord[i, :] + + bonds = [] + for bond in mol.GetBonds(): + bonds.append([bond.GetBeginAtomIdx(), bond.GetEndAtomIdx()]) + atom_array.bonds = struc.BondList(atom_count, np.array(bonds)) + if removeHs: + atom_array = atom_array[atom_array.element != "H"] + return atom_array + + +def rdkit_mol_to_atom_info(mol: Chem.Mol) -> dict[str, Any]: + """ + Convert RDKit Mol to atom_info dict. + + Args: + mol (Chem.Mol): rdkit mol + + Returns: + dict: info of atoms + example: { + "atom_array": biotite_AtomArray_object, + "atom_map_to_atom_name": {1: "C2"}, # only for smiles + } + """ + atom_info = {} + atom_map_to_atom_name = {} + atom_idx_to_atom_name = {} + + element_count = Counter() + for atom in mol.GetAtoms(): + element = atom.GetSymbol().upper() + element_count[element] += 1 + atom_name = f"{element}{element_count[element]}" + atom.SetProp("name", atom_name) + if atom.GetAtomMapNum() != 0: + atom_map_to_atom_name[atom.GetAtomMapNum()] = atom_name + atom_idx_to_atom_name[atom.GetIdx()] = atom_name + + if atom_map_to_atom_name: + # Atom map for input SMILES + atom_info["atom_map_to_atom_name"] = atom_map_to_atom_name + else: + # Atom index for input file + atom_info["atom_map_to_atom_name"] = atom_idx_to_atom_name + + # Atom_array without hydrogens + atom_info["atom_array"] = rdkit_mol_to_atom_array(mol, removeHs=True) + return atom_info + + +def lig_file_to_atom_info(lig_file_path: str) -> dict[str, Any]: + """ + Convert ligand file to biotite AtomArray. + + Args: + lig_file_path (str): ligand file path with one of the following suffixes: [mol, mol2, sdf, pdb] + + Returns: + dict: info of atoms + example: { + "atom_array": biotite_AtomArray_object, + "atom_map_to_atom_name": {1: "C2"}, # only for smiles + } + """ + if lig_file_path.endswith(".mol"): + mol = Chem.MolFromMolFile(lig_file_path) + elif lig_file_path.endswith(".sdf"): + suppl = Chem.SDMolSupplier(lig_file_path) + mol = next(suppl) + elif lig_file_path.endswith(".pdb"): + mol = Chem.MolFromPDBFile(lig_file_path) + elif lig_file_path.endswith(".mol2"): + mol = Chem.MolFromMol2File(lig_file_path) + else: + raise ValueError(f"Invalid ligand file type: .{lig_file_path.split('.')[-1]}") + assert ( + mol is not None + ), f"Failed to retrieve molecule from file, invalid ligand file: {lig_file_path}. \ + Please provide a file with one of the following suffixes: [mol, mol2, sdf, pdb]." + + assert ( + mol.GetConformer().Is3D() + ), f"3D conformer not found in ligand file: {lig_file_path}" + atom_info = rdkit_mol_to_atom_info(mol) + return atom_info + + +def smiles_to_atom_info(smiles: str) -> dict: + """ + Convert smiles to atom_array, and atom_map_to_atom_name + + Args: + smiles (str): smiles string, like "CCCC", or "[C:1]NC(=O)" (use num to label covalent bond atom.) + + Returns: + dict: info of atoms + example: { + "atom_array": biotite_AtomArray_object, + "atom_map_to_atom_name": {1: "C2"}, # only for smiles + } + """ + atom_info = {} + mol = Chem.MolFromSmiles(smiles) + mol = Chem.AddHs(mol) + ret_code = AllChem.EmbedMolecule(mol) + assert ret_code == 0, f"Conformer generation failed for input SMILES: {smiles}" + atom_info = rdkit_mol_to_atom_info(mol) + return atom_info + + +def build_ligand(entity_info: dict) -> dict: + """ + Build a ligand from a ligand entity info dict + example1: { + "ligand": { + "ligand": "CCD_ATP", + "count": 1 + } + }, + example2:{ + "ligand": { + "ligand": "CCC=O", # smiles + "count": 1 + } + }, + example3:{ + "ion": { + "ion": "NA", + "count": 3 + } + }, + + Args: + entity_info (dict): ligand entity info + + Returns: + dict: info of atoms + example: { + "atom_array": biotite_AtomArray_object, + "index_to_atom_name": {1: "C2"}, # only for smiles + } + """ + if info := entity_info.get("ion"): + ccd_code = [info["ion"]] + elif info := entity_info.get("ligand"): + ligand_str = info["ligand"] + if ligand_str.startswith("CCD_"): + ccd_code = ligand_str[4:].split("_") + else: + ccd_code = None + + atom_info = {} + if ccd_code is not None: + atom_array = AtomArray(0) + res_ids = [] + for idx, code in enumerate(ccd_code): + ccd_atom_array = ccd.get_component_atom_array( + code, keep_leaving_atoms=True, keep_hydrogens=False + ) + atom_array += ccd_atom_array + res_id = idx + 1 + res_ids += [res_id] * len(ccd_atom_array) + atom_info["atom_array"] = atom_array + atom_info["atom_array"].res_id[:] = res_ids + else: + if info["ligand"].startswith("FILE_"): + lig_file_path = ligand_str[5:] + atom_info = lig_file_to_atom_info(lig_file_path) + else: + atom_info = smiles_to_atom_info(ligand_str) + atom_info["atom_array"].res_id[:] = 1 + atom_info["atom_array"] = add_reference_features(atom_info["atom_array"]) + return atom_info + + +def add_entity_atom_array(single_job_dict: dict) -> dict: + """ + Add atom_array to each entity in single_job_dict + + Args: + single_job_dict (dict): input job dict + + Returns: + dict: deepcopy and updated job dict with atom_array + """ + single_job_dict = copy.deepcopy(single_job_dict) + sequences = single_job_dict["sequences"] + smiles_ligand_count = 0 + for entity_info in sequences: + if info := entity_info.get("proteinChain"): + atom_info = build_polymer(entity_info) + elif info := entity_info.get("dnaSequence"): + atom_info = build_polymer(entity_info) + elif info := entity_info.get("rnaSequence"): + atom_info = build_polymer(entity_info) + elif info := entity_info.get("ligand"): + atom_info = build_ligand(entity_info) + if not info["ligand"].startswith("CCD_"): + smiles_ligand_count += 1 + assert smiles_ligand_count <= 99, "too many smiles ligands" + # use lower case res_name (l01, l02, ..., l99) to avoid conflict with CCD code + atom_info["atom_array"].res_name[:] = f"l{smiles_ligand_count:02d}" + elif info := entity_info.get("ion"): + atom_info = build_ligand(entity_info) + else: + raise ValueError( + "entity type must be proteinChain, dnaSequence, rnaSequence, ligand or ion" + ) + info.update(atom_info) + return single_job_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_to_feature.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_to_feature.py new file mode 100644 index 0000000000000000000000000000000000000000..40a1750650059dfec3e26812eda9f432d0fab650 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/json_to_feature.py @@ -0,0 +1,310 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import copy +import logging + +import numpy as np +import torch +from biotite.structure import AtomArray + +from protenix.data.featurizer import Featurizer +from protenix.data.json_parser import add_entity_atom_array, remove_leaving_atoms +from protenix.data.parser import AddAtomArrayAnnot +from protenix.data.tokenizer import AtomArrayTokenizer, TokenArray +from protenix.data.utils import int_to_letters + +logger = logging.getLogger(__name__) + + +class SampleDictToFeatures: + def __init__(self, single_sample_dict): + self.single_sample_dict = single_sample_dict + self.input_dict = add_entity_atom_array(single_sample_dict) + self.entity_poly_type = self.get_entity_poly_type() + + def get_entity_poly_type(self) -> dict[str, str]: + """ + Get the entity type for each entity. + + Allowed Value for "_entity_poly.type": + · cyclic-pseudo-peptide + · other + · peptide nucleic acid + · polydeoxyribonucleotide + · polydeoxyribonucleotide/polyribonucleotide hybrid + · polypeptide(D) + · polypeptide(L) + · polyribonucleotide + + Returns: + dict[str, str]: a dict of polymer entity id to entity type. + """ + entity_type_mapping_dict = { + "proteinChain": "polypeptide(L)", + "dnaSequence": "polydeoxyribonucleotide", + "rnaSequence": "polyribonucleotide", + } + entity_poly_type = {} + for idx, type2entity_dict in enumerate(self.input_dict["sequences"]): + assert len(type2entity_dict) == 1, "Only one entity type is allowed." + for entity_type, entity in type2entity_dict.items(): + if "sequence" in entity: + assert entity_type in [ + "proteinChain", + "dnaSequence", + "rnaSequence", + ], 'The "sequences" field accepts only these entity types: ["proteinChain", "dnaSequence", "rnaSequence"].' + entity_poly_type[str(idx + 1)] = entity_type_mapping_dict[ + entity_type + ] + return entity_poly_type + + def build_full_atom_array(self) -> AtomArray: + """ + By assembling the AtomArray of each entity, a complete AtomArray is created. + + Returns: + AtomArray: Biotite Atom array. + """ + atom_array = None + asym_chain_idx = 0 + for idx, type2entity_dict in enumerate(self.input_dict["sequences"]): + for entity_type, entity in type2entity_dict.items(): + entity_id = str(idx + 1) + + entity_atom_array = None + for asym_chain_count in range(1, entity["count"] + 1): + asym_id_str = int_to_letters(asym_chain_idx + 1) + asym_chain = copy.deepcopy(entity["atom_array"]) + chain_id = [asym_id_str] * len(asym_chain) + copy_id = [asym_chain_count] * len(asym_chain) + asym_chain.set_annotation("label_asym_id", chain_id) + asym_chain.set_annotation("auth_asym_id", chain_id) + asym_chain.set_annotation("chain_id", chain_id) + asym_chain.set_annotation("label_seq_id", asym_chain.res_id) + asym_chain.set_annotation("copy_id", copy_id) + # breakpoint() + if entity_atom_array is None: + entity_atom_array = asym_chain + else: + entity_atom_array += asym_chain + asym_chain_idx += 1 + + entity_atom_array.set_annotation( + "label_entity_id", [entity_id] * len(entity_atom_array) + ) + + if entity_type in ["proteinChain", "dnaSequence", "rnaSequence"]: + entity_atom_array.hetero[:] = False + else: + entity_atom_array.hetero[:] = True + + if atom_array is None: + atom_array = entity_atom_array + else: + atom_array += entity_atom_array + return atom_array + + @staticmethod + def get_a_bond_atom( + atom_array: AtomArray, + entity_id: int, + position: int, + atom_name: str, + copy_id: int = None, + ) -> np.ndarray: + """ + Get the atom index of a bond atom. + + Args: + atom_array (AtomArray): Biotite Atom array. + entity_id (int): Entity id. + position (int): Residue index of the atom. + atom_name (str): Atom name. + copy_id (copy_id): A asym chain id in N copies of an entity. + + Returns: + np.ndarray: Array of indices for specified atoms on each asym chain. + """ + entity_mask = atom_array.label_entity_id == str(entity_id) + position_mask = atom_array.res_id == int(position) + atom_name_mask = atom_array.atom_name == str(atom_name) + + if copy_id is not None: + copy_mask = atom_array.copy_id == int(copy_id) + mask = entity_mask & position_mask & atom_name_mask & copy_mask + else: + mask = entity_mask & position_mask & atom_name_mask + atom_indices = np.where(mask)[0] + return atom_indices + + def add_bonds_between_entities(self, atom_array: AtomArray) -> AtomArray: + """ + Based on the information in the "covalent_bonds", + add a bond between specified atoms on each pair of asymmetric chains of the two entities. + Note that this requires the number of asymmetric chains in both entities to be equal. + + Args: + atom_array (AtomArray): Biotite Atom array. + + Returns: + AtomArray: Biotite Atom array with bonds added. + """ + if "covalent_bonds" not in self.input_dict: + return atom_array + + bond_count = {} + for bond_info_dict in self.input_dict["covalent_bonds"]: + bond_atoms = [] + for i in ["left", "right"]: + entity_id = int(bond_info_dict[f"{i}_entity"]) + copy_id = int(bond_info_dict.get(f"{i}_copy")) + position = int(bond_info_dict[f"{i}_position"]) + atom_name = bond_info_dict[f"{i}_atom"] + + if isinstance(atom_name, str): + if atom_name.isdigit(): + # Convert SMILES atom index to int + atom_name = int(atom_name) + + if isinstance(atom_name, int): + # Convert AtomMap in SMILES to atom name in AtomArray + entity_dict = self.input_dict["sequences"][ + int(entity_id - 1) + ].values() + assert "atom_map_to_atom_name" in entity_dict + atom_name = entity_dict["atom_map_to_atom_name"][atom_name] + + # Get bond atoms by entity_id, position, atom_name + atom_indices = self.get_a_bond_atom( + atom_array, entity_id, position, atom_name, copy_id + ) + assert ( + atom_indices.size > 0 + ), f"No atom found for {atom_name} in entity {entity_id} at position {position}." + bond_atoms.append(atom_indices) + + assert len(bond_atoms[0]) == len( + bond_atoms[1] + ), f'Can not create bonds because the "count" of entity {bond_info_dict["left_entity"]} \ + and {bond_info_dict["right_entity"]} are not equal. ' + + # Create bond between each asym chain pair + for atom_idx1, atom_idx2 in zip(bond_atoms[0], bond_atoms[1]): + atom_array.bonds.add_bond(atom_idx1, atom_idx2, 1) + bond_count[atom_idx1] = bond_count.get(atom_idx1, 0) + 1 + bond_count[atom_idx2] = bond_count.get(atom_idx2, 0) + 1 + + atom_array = remove_leaving_atoms(atom_array, bond_count) + + return atom_array + + @staticmethod + def add_atom_array_attributes( + atom_array: AtomArray, entity_poly_type: dict[str, str] + ) -> AtomArray: + """ + Add attributes to the Biotite AtomArray. + + Args: + atom_array (AtomArray): Biotite Atom array. + entity_poly_type (dict[str, str]): a dict of polymer entity id to entity type. + + Returns: + AtomArray: Biotite Atom array with attributes added. + """ + atom_array = AddAtomArrayAnnot.add_token_mol_type(atom_array, entity_poly_type) + atom_array = AddAtomArrayAnnot.add_centre_atom_mask(atom_array) + atom_array = AddAtomArrayAnnot.add_atom_mol_type_mask(atom_array) + atom_array = AddAtomArrayAnnot.add_distogram_rep_atom_mask(atom_array) + atom_array = AddAtomArrayAnnot.add_plddt_m_rep_atom_mask(atom_array) + atom_array = AddAtomArrayAnnot.add_cano_seq_resname(atom_array) + atom_array = AddAtomArrayAnnot.add_tokatom_idx(atom_array) + atom_array = AddAtomArrayAnnot.add_modified_res_mask(atom_array) + atom_array = AddAtomArrayAnnot.unique_chain_and_add_ids(atom_array) + atom_array = AddAtomArrayAnnot.find_equiv_mol_and_assign_ids( + atom_array, check_final_equiv=False + ) + atom_array = AddAtomArrayAnnot.add_ref_space_uid(atom_array) + return atom_array + + @staticmethod + def mse_to_met(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI chapter 2.1 + MSE residues are converted to MET residues. + + Args: + atom_array (AtomArray): Biotite AtomArray object. + + Returns: + AtomArray: Biotite AtomArray object after converted MSE to MET. + """ + mse = atom_array.res_name == "MSE" + se = mse & (atom_array.atom_name == "SE") + atom_array.atom_name[se] = "SD" + atom_array.element[se] = "S" + atom_array.res_name[mse] = "MET" + atom_array.hetero[mse] = False + return atom_array + + def get_atom_array(self) -> AtomArray: + """ + Create a Biotite AtomArray and add attributes from the input dict. + + Returns: + AtomArray: Biotite Atom array. + """ + atom_array = self.build_full_atom_array() + atom_array = self.add_bonds_between_entities(atom_array) + atom_array = self.mse_to_met(atom_array) + atom_array = self.add_atom_array_attributes(atom_array, self.entity_poly_type) + return atom_array + + def get_feature_dict(self) -> tuple[dict[str, torch.Tensor], AtomArray, TokenArray]: + """ + Generates a feature dictionary from the input sample dictionary. + + Returns: + A tuple containing: + - A dictionary of features. + - An AtomArray object. + - A TokenArray object. + """ + atom_array = self.get_atom_array() + + aa_tokenizer = AtomArrayTokenizer(atom_array) + token_array = aa_tokenizer.get_token_array() + + featurizer = Featurizer(token_array, atom_array) + feature_dict = featurizer.get_all_input_features() + + token_array_with_frame = featurizer.get_token_frame( + token_array=token_array, + atom_array=atom_array, + ref_pos=feature_dict["ref_pos"], + ref_mask=feature_dict["ref_mask"], + ) + + # [N_token] + feature_dict["has_frame"] = torch.Tensor( + token_array_with_frame.get_annotation("has_frame") + ).long() + + # [N_token, 3] + feature_dict["frame_atom_index"] = torch.Tensor( + token_array_with_frame.get_annotation("frame_atom_index") + ).long() + return feature_dict, atom_array, token_array diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/msa_featurizer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/msa_featurizer.py new file mode 100644 index 0000000000000000000000000000000000000000..c2df9d3b4b4627ea5104c129c6fcd3a59eacd9b4 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/msa_featurizer.py @@ -0,0 +1,1162 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import json +import os +import shutil +from abc import ABC, abstractmethod +from collections import defaultdict +from copy import deepcopy +from os.path import exists as opexists +from os.path import join as opjoin +from typing import Any, Mapping, Optional, Sequence, Union + +import numpy as np +import torch +from biotite.structure import AtomArray + +from protenix.data.constants import STD_RESIDUES, rna_order_with_x +from protenix.data.msa_utils import ( + PROT_TYPE_NAME, + FeatureDict, + add_assembly_features, + clip_msa, + convert_monomer_features, + get_identifier_func, + load_and_process_msa, + make_sequence_features, + merge_features_from_prot_rna, + msa_parallel, + pair_and_merge, + rna_merge, +) +from protenix.data.tokenizer import TokenArray +from protenix.utils.logger import get_logger + +logger = get_logger(__name__) + +SEQ_LIMITS = { + "uniref100": -1, + "mmseqs_other": -1, + "uniclust30": -1, + "rfam": 10000, + "rnacentral": 10000, + "nucleotide": 10000, +} +MSA_MAX_SIZE = 16384 + + +class BaseMSAFeaturizer(ABC): + def __init__( + self, + indexing_method: str = "sequence", + merge_method: str = "dense_max", + seq_limits: Optional[dict[str, int]] = {}, + max_size: int = 16384, + **kwargs, + ): + """ + Initializes the BaseMSAFeaturizer with the specified parameters. + + Args: + indexing_method (str): The method used for indexing the MSA. Defaults to "sequence". + merge_method (str): The method used for merging MSA features. Defaults to "dense_max". + seq_limits (Optional[dict[str, int]]): Dictionary specifying sequence limits for different databases. Defaults to an empty dictionary. + max_size (int): The maximum size of the MSA. Defaults to 16384. + **kwargs: Additional keyword arguments. + + Raises: + AssertionError: If the provided `merge_method` or `indexing_method` is not valid. + """ + assert merge_method in ["dense_max", "dense_min", "sparse"] + assert indexing_method in [ + "sequence", + "pdb_id", + "pdb_id_entity_id", + ], f"Unknown indexing method: {indexing_method}" + self.indexing_method = indexing_method + self.merge_method = merge_method + self.seq_limits = seq_limits + self.max_size = max_size + + @abstractmethod + def get_msa_path(self): + pass + + @abstractmethod + def process_single_sequence(self): + pass + + def get_entity_ids( + self, bioassembly_dict: Mapping[str, Any], msa_entity_type: str = "prot" + ) -> set[str]: + """ + Extracts the entity IDs that match the specified MSA entity type from the bioassembly dictionary. + + Args: + bioassembly_dict (Mapping[str, Any]): The bioassembly dictionary containing entity information. + msa_entity_type (str): The type of MSA entity to filter by. Defaults to "prot". + + Returns: + set[str]: A set of entity IDs that match the specified MSA entity type. + + Raises: + AssertionError: If the provided `msa_entity_type` is not "prot" or "rna". + """ + assert msa_entity_type in ["prot", "rna"], "only protein and rna might have msa" + poly_type_mapping = { + "prot": "polypeptide", + "rna": "polyribonucleotide", + "dna": "polydeoxyribonucleotide", + } + entity_poly_type = bioassembly_dict["entity_poly_type"] + + entity_ids: set[str] = { + entity_id + for entity_id, poly_type in entity_poly_type.items() + if poly_type_mapping[msa_entity_type] in poly_type + } + return entity_ids + + def get_selected_asym_ids( + self, + bioassembly_dict: Mapping[str, Any], + entity_to_asym_id_int: Mapping[str, Sequence[int]], + selected_token_indices: Optional[torch.Tensor], + entity_ids: set[str], + ) -> tuple[set[int], set[int], dict[int, str], dict[int, str], dict[str, str]]: + """ + Extracts the selected asym IDs based on the provided bioassembly dictionary and entity IDs. + + Args: + bioassembly_dict (Mapping[str, Any]): The bioassembly dictionary containing entity information. + entity_to_asym_id_int (Mapping[str, Sequence[int]]): Mapping from entity ID to asym ID integers. + selected_token_indices (Optional[torch.Tensor]): Indices of selected tokens. + entity_ids (set[str]): Set of entity IDs to consider. + + Returns: + tuple: A tuple containing: + - selected_asym_ids (set[int]): Set of selected asym IDs. + - asym_id_ints (set[int]): Set of asym ID integers. + - asym_to_entity_id (dict[int, str]): Mapping from asym ID integers to entity IDs. + - asym_id_int_to_sequence (dict[int, str]): Mapping from asym ID integers to sequences. + - entity_id_to_sequence (dict[str, str]): Mapping from entity IDs to sequences. + """ + asym_to_entity_id: dict[int, str] = {} + # Only count the selected Prot/RNA entities, many-to-one mapping + for entity_id, asym_id_int_list in entity_to_asym_id_int.items(): + if entity_id in entity_ids: + for asym_id_int in asym_id_int_list: + asym_to_entity_id[asym_id_int] = entity_id + entity_id_to_sequence = { + k: v + for (k, v) in bioassembly_dict["sequences"].items() + if k in entity_ids and k in entity_to_asym_id_int + } + asym_id_ints = set( + [ + asym_id_int + for (asym_id_int, entity_id) in asym_to_entity_id.items() + if entity_id in entity_ids + ] + ) + # Only count Prot/RNA chains, many-to-one mapping + asym_id_int_to_sequence = { + asym_id_int: entity_id_to_sequence[entity_id] + for (asym_id_int, entity_id) in asym_to_entity_id.items() + } + atom_array = bioassembly_dict["atom_array"] + token_array = bioassembly_dict["token_array"] + + if selected_token_indices is None: + selected_asym_ids = set( + [ + atom_array[idx].asym_id_int + for idx in token_array.get_annotation("centre_atom_index") + ] + ) + else: + selected_asym_ids = set( + [ + atom_array[idx].asym_id_int + for idx in token_array[selected_token_indices].get_annotation( + "centre_atom_index" + ) + ] + ) + return ( + selected_asym_ids, + asym_id_ints, + asym_to_entity_id, + asym_id_int_to_sequence, + entity_id_to_sequence, + ) + + def get_msa_pipeline( + self, + is_homomer_or_monomer: bool, + selected_asym_ids: set[int], + asym_to_entity_id: dict[int, str], + asym_id_int_to_sequence: dict[int, str], + entity_id_to_sequence: dict[str, str], + bioassembly_dict: Mapping[str, Any], + entity_to_asym_id_int: Mapping[str, Sequence[int]], + msa_entity_type="prot", + ) -> Optional[dict[str, np.ndarray]]: + """ + Processes the MSA pipeline for the given bioassembly dictionary and selected asym IDs. + + Args: + is_homomer_or_monomer (bool): Indicates if the sequence is a homomer or monomer. + selected_asym_ids (set[int]): Set of selected asym IDs. + asym_to_entity_id (dict[int, str]): Mapping from asym ID integers to entity IDs. + asym_id_int_to_sequence (dict[int, str]): Mapping from asym ID integers to sequences. + entity_id_to_sequence (dict[str, str]): Mapping from entity IDs to sequences. + bioassembly_dict (Mapping[str, Any]): The bioassembly dictionary containing entity information. + entity_to_asym_id_int (Mapping[str, Sequence[int]]): Mapping from entity ID to asym ID integers. + msa_entity_type (str): The type of MSA entity to process. Defaults to "prot". + + Returns: + Optional[dict[str, np.ndarray]]: A dictionary containing the processed MSA features, or None if no features are processed. + + Raises: + AssertionError: If `msa_entity_type` is "rna" and `is_homomer_or_monomer` is False. + """ + if msa_entity_type == "rna": + assert is_homomer_or_monomer, "RNA MSAs do not pairing" + pdb_id = bioassembly_dict["pdb_id"] + sequence_to_features: dict[str, dict[str, Any]] = {} + + for entity_id, sequence in entity_id_to_sequence.items(): + if sequence in sequence_to_features: + # It is possible that different entity ids correspond to the same sequence + continue + + if all( + [ + asym_id_int not in selected_asym_ids + for asym_id_int in entity_to_asym_id_int[entity_id] + ] + ): + # All chains corresponding to this entity are not selected + continue + + sequence_feat = self.process_single_sequence( + pdb_name=f"{pdb_id}_{entity_id}", + sequence=sequence, + pdb_id=pdb_id, + is_homomer_or_monomer=is_homomer_or_monomer, + ) + sequence_feat = convert_monomer_features(sequence_feat) + sequence_to_features[sequence] = sequence_feat + + all_chain_features = { + asym_id_int: deepcopy(sequence_to_features[seq]) + for asym_id_int, seq in asym_id_int_to_sequence.items() + if seq in sequence_to_features + } + del sequence_to_features + + if len(all_chain_features) == 0: + return None + np_example = merge_all_chain_features( + pdb_id=pdb_id, + all_chain_features=all_chain_features, + asym_to_entity_id=asym_to_entity_id, + is_homomer_or_monomer=is_homomer_or_monomer, + merge_method=self.merge_method, + max_size=self.max_size, + msa_entity_type=msa_entity_type, + ) + return np_example + + +class PROTMSAFeaturizer(BaseMSAFeaturizer): + def __init__( + self, + dataset_name: str = "", + seq_to_pdb_idx_path: str = "", + distillation_index_file: str = None, + indexing_method: str = "sequence", + pairing_db: Optional[str] = "", + non_pairing_db: str = "mmseqs_all", + merge_method: str = "dense_max", + seq_limits: Optional[dict[str, int]] = {}, + max_size: int = 16384, + pdb_jackhmmer_dir: str = None, + pdb_mmseqs_dir: str = None, + distillation_mmseqs_dir: str = None, + distillation_uniclust_dir: str = None, + **kwargs, + ): + super().__init__( + indexing_method=indexing_method, + merge_method=merge_method, + seq_limits=seq_limits, + max_size=max_size, + **kwargs, + ) + self.dataset_name = dataset_name + self.pdb_jackhmmer_dir = pdb_jackhmmer_dir + self.pdb_mmseqs_dir = pdb_mmseqs_dir + self.distillation_mmseqs_dir = distillation_mmseqs_dir + self.distillation_uniclust_dir = distillation_uniclust_dir + self.pairing_db = pairing_db if len(pairing_db) > 0 else None + + if non_pairing_db == "mmseqs_all": + self.non_pairing_db = ["uniref100", "mmseqs_other"] + else: + self.non_pairing_db = [db_name for db_name in non_pairing_db.split(",")] + + with open(seq_to_pdb_idx_path, "r") as f: + self.seq_to_pdb_idx = json.load(f) + # If distillation data is avaiable + if distillation_index_file is not None: + with open(distillation_index_file, "r") as f: + self.distillation_pdb_id_to_msa_dir = json.load(f) + else: + self.distillation_pdb_id_to_msa_dir = None + + def get_msa_path(self, db_name: str, sequence: str, pdb_id: str) -> str: + """ + Get the path of an MSA file + + Args: + db_name (str): name of genomics database + sequence (str): input sequence + pdb_id (str): pdb_id of input sequence + + Returns: + str: file path + """ + + if self.indexing_method == "pdb_id" and self.distillation_pdb_id_to_msa_dir: + rel_path = self.distillation_pdb_id_to_msa_dir[pdb_id] + + if db_name == "uniclust30": + msa_dir_path = opjoin(self.distillation_uniclust_dir, rel_path) + elif db_name in ["uniref100", "mmseqs_other"]: + msa_dir_path = opjoin(self.distillation_mmseqs_dir, rel_path) + else: + raise ValueError( + f"Indexing with {self.indexing_method} is not supported for {db_name}" + ) + + if opexists(msa_path := opjoin(msa_dir_path, f"{db_name}_hits.a3m")): + return msa_path + else: + return opjoin(msa_dir_path, f"{db_name}.a3m") + else: + # indexing_method == "sequence" + pdb_index = self.seq_to_pdb_idx[sequence] + if db_name in ["uniref100", "mmseqs_other"]: + return opjoin( + self.pdb_mmseqs_dir, str(pdb_index), f"{db_name}_hits.a3m" + ) + else: + return opjoin( + self.pdb_jackhmmer_dir, + f"pdb_on_{db_name}", + "results", + f"{pdb_index}.a3m", + ) + + def process_single_sequence( + self, + pdb_name: str, + sequence: str, + pdb_id: str, + is_homomer_or_monomer: bool, + ) -> dict[str, np.ndarray]: + """ + Get basic MSA features for a single sequence. + + Args: + pdb_name (str): f"{pdb_id}_{entity_id}" of the input entity + sequence (str): input sequnce + pdb_id (str): pdb_id of input sequence + is_homomer_or_monomer (bool): True if the input sequence is a homomer or a monomer + + Returns: + Dict[str, np.ndarray]: the basic MSA features of the input sequence + """ + + raw_msa_paths, seq_limits = [], [] + for db_name in self.non_pairing_db: + if opexists( + path := self.get_msa_path(db_name, sequence, pdb_id) + ) and path.endswith(".a3m"): + raw_msa_paths.append(path) + seq_limits.append(self.seq_limits.get(db_name, SEQ_LIMITS[db_name])) + + # Get sequence and non-pairing msa features + sequence_features = process_single_sequence( + pdb_name=pdb_name, + sequence=sequence, + raw_msa_paths=raw_msa_paths, + seq_limits=seq_limits, + msa_entity_type="prot", + msa_type="non_pairing", + ) + + # Get pairing msa features + if not is_homomer_or_monomer: + # Separately process the MSA needed for pairing + raw_msa_paths, seq_limits = [], [] + if opexists( + path := self.get_msa_path(self.pairing_db, sequence, pdb_id) + ) and path.endswith(".a3m"): + raw_msa_paths = [ + path, + ] + seq_limits.append( + self.seq_limits.get(self.pairing_db, SEQ_LIMITS[self.pairing_db]) + ) + + if len(raw_msa_paths) == 0: + raise ValueError(f"{pdb_name} does not have MSA for pairing") + + all_seq_msa_features = load_and_process_msa( + pdb_name=pdb_name, + msa_type="pairing", + raw_msa_paths=raw_msa_paths, + seq_limits=seq_limits, + identifier_func=get_identifier_func(pairing_db=self.pairing_db), + handle_empty="raise_error", + ) + sequence_features.update(all_seq_msa_features) + + return sequence_features + + def get_msa_features_for_assembly( + self, + bioassembly_dict: Mapping[str, Any], + entity_to_asym_id_int: Mapping[str, Sequence[int]], + selected_token_indices: Optional[torch.Tensor], + ) -> dict[str, np.ndarray]: + """ + Get MSA features for the bioassembly. + + Args: + bioassembly_dict (Mapping[str, Any]): the bioassembly dict with sequence, atom_array and token_array. + entity_to_asym_id_int (Mapping[str, Sequence[int]]): mapping from entity_id to asym_id_int. + selected_token_indices (torch.Tensor): Cropped token indices. + + Returns: + Dict[str, np.ndarray]: the basic MSA features of the bioassembly. + """ + protein_entity_ids = self.get_entity_ids( + bioassembly_dict, msa_entity_type="prot" + ) + if len(protein_entity_ids) == 0: + return None + ( + selected_asym_ids, + asym_id_ints, + asym_to_entity_id, + asym_id_int_to_sequence, + entity_id_to_sequence, + ) = self.get_selected_asym_ids( + bioassembly_dict=bioassembly_dict, + entity_to_asym_id_int=entity_to_asym_id_int, + selected_token_indices=selected_token_indices, + entity_ids=protein_entity_ids, + ) + # No pairing_db specified (all proteins are treated as monomers) or only one sequence + is_homomer_or_monomer = (self.pairing_db is None) or ( + len( + set( + [ + asym_id_int_to_sequence[asym_id_int] + for asym_id_int in selected_asym_ids + if asym_id_int in asym_id_ints + ] + ) + ) + == 1 + ) + np_example = self.get_msa_pipeline( + is_homomer_or_monomer=is_homomer_or_monomer, + selected_asym_ids=selected_asym_ids, + asym_to_entity_id=asym_to_entity_id, + asym_id_int_to_sequence=asym_id_int_to_sequence, + entity_id_to_sequence=entity_id_to_sequence, + bioassembly_dict=bioassembly_dict, + entity_to_asym_id_int=entity_to_asym_id_int, + msa_entity_type="prot", + ) + return np_example + + +class RNAMSAFeaturizer(BaseMSAFeaturizer): + def __init__( + self, + seq_to_pdb_idx_path: str = "", + indexing_method: str = "sequence", + merge_method: str = "dense_max", + seq_limits: Optional[dict[str, int]] = {}, + max_size: int = 16384, + rna_msa_dir: str = None, + **kwargs, + ) -> None: + super().__init__( + indexing_method=indexing_method, + merge_method=merge_method, + seq_limits=seq_limits, + max_size=max_size, + **kwargs, + ) + # By default, use all the database in paper + self.rna_msa_dir = rna_msa_dir + self.non_pairing_db = ["rfam", "rnacentral", "nucleotide"] + with open(seq_to_pdb_idx_path, "r") as f: + self.seq_to_pdb_idx = json.load(f) # it's rna sequence to pdb list + + def get_msa_path( + self, db_name: str, sequence: str, pdb_id_entity_id: str, reduced: bool = True + ) -> str: + """ + Get the path of an RNA MSA file + + Args: + db_name (str): genetics databases for RNA chains + sequence (str): input sequence + pdb_id_entity_id (str): pdb_id_entity_id of input sequence + reduced (bool): whether reduce the sto files to max 1w + + Returns: + str: file path + """ + assert self.indexing_method in [ + "pdb_id_entity_id", + "sequence", + ], "use the pdb_id_entity_id or sequence to search msa dir" + if reduced: + suffix = "_max_1w" + else: + suffix = "" + if self.indexing_method == "sequence": + # only the first pdb save the rna msa + if sequence in self.seq_to_pdb_idx: + pdb_id_entity_id = self.seq_to_pdb_idx[sequence][0] + else: + logger.info(f"{pdb_id_entity_id} not in seq_to_pdb_idx") + pdb_id_entity_id = "not_exist" + + rel_path = f"{pdb_id_entity_id}/{db_name}.sto" + msa_dir_path = opjoin(f"{self.rna_msa_dir}{suffix}", rel_path) + return msa_dir_path + + def process_single_sequence( + self, + pdb_name: str, + sequence: str, + pdb_id: str, + is_homomer_or_monomer: bool, + ) -> dict[str, np.ndarray]: + """ + Get basic MSA features for a single sequence. + + Args: + pdb_name (str): f"{pdb_id}_{entity_id}" of the input entity + sequence (str): input sequnce + pdb_id (str): pdb_id of input sequence + is_homomer_or_monomer (bool): True if the input sequence is a homomer or a monomer + + Returns: + Dict[str, np.ndarray]: the basic MSA features of the input sequence + """ + raw_msa_paths, seq_limits = [], [] + for db_name in self.non_pairing_db: + if opexists( + path := self.get_msa_path(db_name, sequence, pdb_name) + ) and path.endswith(".sto"): + raw_msa_paths.append(path) + seq_limits.append(self.seq_limits.get(db_name, SEQ_LIMITS[db_name])) + + sequence_features = process_single_sequence( + pdb_name=pdb_name, + sequence=sequence, + raw_msa_paths=raw_msa_paths, + seq_limits=seq_limits, + msa_entity_type="rna", + msa_type="non_pairing", + ) + + return sequence_features + + def get_msa_features_for_assembly( + self, + bioassembly_dict: Mapping[str, Any], + entity_to_asym_id_int: Mapping[str, Sequence[int]], + selected_token_indices: Optional[torch.Tensor], + ) -> dict[str, np.ndarray]: + """ + Get MSA features for the bioassembly. + + Args: + bioassembly_dict (Mapping[str, Any]): the bioassembly dict with sequence, atom_array and token_array. + entity_to_asym_id_int (Mapping[str, Sequence[int]]): mapping from entity_id to asym_id_int. + selected_token_indices (torch.Tensor): Cropped token indices. + + Returns: + Dict[str, np.ndarray]: the basic MSA features of the bioassembly. + """ + rna_entity_ids = self.get_entity_ids(bioassembly_dict, msa_entity_type="rna") + if len(rna_entity_ids) == 0: + return None + ( + selected_asym_ids, + asym_id_ints, + asym_to_entity_id, + asym_id_int_to_sequence, + entity_id_to_sequence, + ) = self.get_selected_asym_ids( + bioassembly_dict=bioassembly_dict, + entity_to_asym_id_int=entity_to_asym_id_int, + selected_token_indices=selected_token_indices, + entity_ids=rna_entity_ids, + ) + is_homomer_or_monomer = True + np_example = self.get_msa_pipeline( + is_homomer_or_monomer=is_homomer_or_monomer, + selected_asym_ids=selected_asym_ids, + asym_to_entity_id=asym_to_entity_id, + asym_id_int_to_sequence=asym_id_int_to_sequence, + entity_id_to_sequence=entity_id_to_sequence, + bioassembly_dict=bioassembly_dict, + entity_to_asym_id_int=entity_to_asym_id_int, + msa_entity_type="rna", + ) + return np_example + + +class MSAFeaturizer: + def __init__( + self, + prot_msa_args: dict = {}, + rna_msa_args: dict = {}, + enable_rna_msa: bool = False, + ): + self.prot_msa_featurizer = PROTMSAFeaturizer(**prot_msa_args) + self.enable_rna_msa = enable_rna_msa + if self.enable_rna_msa: + self.rna_msa_featurizer = RNAMSAFeaturizer(**rna_msa_args) + + def __call__( + self, + bioassembly_dict: dict[str, Any], + selected_indices: np.ndarray, + entity_to_asym_id_int: Mapping[str, int], + ) -> Optional[dict[str, np.ndarray]]: + """ + Processes the bioassembly dictionary to generate MSA features for both protein and RNA entities, if enabled. + + Args: + bioassembly_dict (dict[str, Any]): The bioassembly dictionary containing entity information. + selected_indices (np.ndarray): Indices of selected tokens. + entity_to_asym_id_int (Mapping[str, int]): Mapping from entity ID to asym ID integers. + + Returns: + Optional[dict[str, np.ndarray]]: A dictionary containing the merged MSA features for the bioassembly, or None if no features are generated. + """ + prot_msa_feats = self.prot_msa_featurizer.get_msa_features_for_assembly( + bioassembly_dict=bioassembly_dict, + entity_to_asym_id_int=entity_to_asym_id_int, + selected_token_indices=selected_indices, + ) + if self.enable_rna_msa: + rna_msa_feats = self.rna_msa_featurizer.get_msa_features_for_assembly( + bioassembly_dict=bioassembly_dict, + entity_to_asym_id_int=entity_to_asym_id_int, + selected_token_indices=selected_indices, + ) + else: + rna_msa_feats = None + np_chains_list = [] + if prot_msa_feats is not None: + np_chains_list.append(prot_msa_feats) + if rna_msa_feats is not None: + np_chains_list.append(rna_msa_feats) + if len(np_chains_list) == 0: + return None + + msa_feats = merge_features_from_prot_rna(np_chains_list) + msa_feats = self.tokenize( + msa_feats=msa_feats, + token_array=bioassembly_dict["token_array"], + atom_array=bioassembly_dict["atom_array"], + ) + + return msa_feats + + def tokenize( + self, + msa_feats: Mapping[str, np.ndarray], + token_array: TokenArray, + atom_array: AtomArray, + ) -> dict[str, np.ndarray]: + """ + Tokenize raw MSA features. + + Args: + msa_feats (Dict[str, np.ndarray]): raw MSA features. + token_array (TokenArray): token array of this bioassembly + atom_array (AtomArray): atom array of this bioassembly + + Returns: + Dict[str, np.ndarray]: the tokenized MSA features of the bioassembly. + """ + msa_feats = tokenize_msa( + msa_feats=msa_feats, token_array=token_array, atom_array=atom_array + ) + # Add to tracking for msa analysis + msa_feats.update( + { + "prot_pair_num_alignments": msa_feats.get( + "prot_pair_num_alignments", np.asarray(0, dtype=np.int32) + ), + "prot_unpair_num_alignments": msa_feats.get( + "prot_unpair_num_alignments", np.asarray(0, dtype=np.int32) + ), + "rna_pair_num_alignments": msa_feats.get( + "rna_pair_num_alignments", np.asarray(0, dtype=np.int32) + ), + "rna_unpair_num_alignments": msa_feats.get( + "rna_unpair_num_alignments", np.asarray(0, dtype=np.int32) + ), + } + ) + return { + k: v + for (k, v) in msa_feats.items() + if k + in ["msa", "has_deletion", "deletion_value", "deletion_mean", "profile"] + + [ + "prot_pair_num_alignments", + "prot_unpair_num_alignments", + "rna_pair_num_alignments", + "rna_unpair_num_alignments", + ] + } + + +# Common function for train and inference +def process_single_sequence( + pdb_name: str, + sequence: str, + raw_msa_paths: Optional[list[str]], + seq_limits: Optional[list[str]], + msa_entity_type: str = "prot", + msa_type: str = "non_pairing", +) -> FeatureDict: + """ + Processes a single sequence to generate sequence and MSA features. + + Args: + pdb_name (str): The name of the PDB entry. + sequence (str): The input sequence. + raw_msa_paths (Optional[list[str]]): List of paths to raw MSA files. + seq_limits (Optional[list[str]]): List of sequence limits for different databases. + msa_entity_type (str): The type of MSA entity, either "prot" or "rna". Defaults to "prot". + msa_type (str): The type of MSA, either "non_pairing" or "pairing". Defaults to "non_pairing". + + Returns: + FeatureDict: A dictionary containing the sequence and MSA features. + + Raises: + AssertionError: If `msa_entity_type` is not "prot" or "rna". + """ + assert msa_entity_type in ["prot", "rna"] + num_res = len(sequence) + + if msa_entity_type == "prot": + sequence_features = make_sequence_features( + sequence=sequence, + num_res=num_res, + ) + elif msa_entity_type == "rna": + sequence_features = make_sequence_features( + sequence=sequence, + num_res=num_res, + mapping=rna_order_with_x, + x_token="N", + ) + + msa_features = load_and_process_msa( + pdb_name=pdb_name, + msa_type=msa_type, + raw_msa_paths=raw_msa_paths, + seq_limits=seq_limits, + input_sequence=sequence, + msa_entity_type=msa_entity_type, + ) + sequence_features.update(msa_features) + return sequence_features + + +# Common function for train and inference +def tokenize_msa( + msa_feats: Mapping[str, np.ndarray], + token_array: TokenArray, + atom_array: AtomArray, +) -> dict[str, np.ndarray]: + """ + Tokenize raw MSA features. + + Args: + msa_feats (Dict[str, np.ndarray]): raw MSA features. + token_array (TokenArray): token array of this bioassembly + atom_array (AtomArray): atom array of this bioassembly + + Returns: + Dict[str, np.ndarray]: the tokenized MSA features of the bioassembly. + """ + token_center_atom_idxs = token_array.get_annotation("centre_atom_index") + # res_id: (asym_id, residue_index) + # msa_idx refers to the column number of a residue in the msa array + res_id_2_msa_idx = { + (msa_feats["asym_id"][idx], msa_feats["residue_index"][idx]): idx + for idx in range(msa_feats["msa"].shape[1]) + } + + restypes = [] + col_idxs_in_msa = [] + col_idxs_in_new_msa = [] + for token_idx, center_atom_idx in enumerate(token_center_atom_idxs): + restypes.append(STD_RESIDUES[atom_array.cano_seq_resname[center_atom_idx]]) + if ( + res_id := ( + atom_array[center_atom_idx].asym_id_int, + atom_array[center_atom_idx].res_id, + ) + ) in res_id_2_msa_idx: + col_idxs_in_msa.append(res_id_2_msa_idx[res_id]) + col_idxs_in_new_msa.append(token_idx) + + num_msa_seq, _ = msa_feats["msa"].shape + num_tokens = len(token_center_atom_idxs) + + restypes = np.array(restypes) + col_idxs_in_new_msa = np.array(col_idxs_in_new_msa) + col_idxs_in_msa = np.array(col_idxs_in_msa) + + # msa + # For non-amino acid tokens, copy the token itself + feat_name = "msa" + new_feat = np.repeat(restypes[None, ...], num_msa_seq, axis=0) + new_feat[:, col_idxs_in_new_msa] = msa_feats[feat_name][:, col_idxs_in_msa] + msa_feats[feat_name] = new_feat + + # has_deletion, deletion_value + # Assign 0 to non-amino acid tokens + for feat_name in ["has_deletion", "deletion_value"]: + new_feat = np.zeros((num_msa_seq, num_tokens), dtype=msa_feats[feat_name].dtype) + new_feat[:, col_idxs_in_new_msa] = msa_feats[feat_name][:, col_idxs_in_msa] + msa_feats[feat_name] = new_feat + + # deletion_mean + # Assign 0 to non-amino acid tokens + feat_name = "deletion_mean" + new_feat = np.zeros((num_tokens,)) + new_feat[col_idxs_in_new_msa] = msa_feats[feat_name][col_idxs_in_msa] + msa_feats[feat_name] = new_feat + + # profile + # Assign one-hot enbedding (one-hot distribution) to non-amino acid tokens corresponding to restype + feat_name = "profile" + new_feat = np.zeros((num_tokens, 32)) + new_feat[np.arange(num_tokens), restypes] = 1 + new_feat[col_idxs_in_new_msa, :] = msa_feats[feat_name][col_idxs_in_msa, :] + msa_feats[feat_name] = new_feat + return msa_feats + + +# Common function for train and inference +def merge_all_chain_features( + pdb_id: str, + all_chain_features: dict[str, FeatureDict], + asym_to_entity_id: dict, + is_homomer_or_monomer: bool = False, + merge_method: str = "dense_max", + max_size: int = 16384, + msa_entity_type: str = "prot", +) -> dict[str, np.ndarray]: + """ + Merges features from all chains in the bioassembly. + + Args: + pdb_id (str): The PDB ID of the bioassembly. + all_chain_features (dict[str, FeatureDict]): Features for each chain in the bioassembly. + asym_to_entity_id (dict): Mapping from asym ID to entity ID. + is_homomer_or_monomer (bool): Indicates if the bioassembly is a homomer or monomer. Defaults to False. + merge_method (str): Method used for merging features. Defaults to "dense_max". + max_size (int): Maximum size of the MSA. Defaults to 16384. + msa_entity_type (str): Type of MSA entity, either "prot" or "rna". Defaults to "prot". + + Returns: + dict[str, np.ndarray]: Merged features for the bioassembly. + """ + all_chain_features = add_assembly_features( + pdb_id, + all_chain_features, + asym_to_entity_id=asym_to_entity_id, + ) + if msa_entity_type == "rna": + np_example = rna_merge( + is_homomer_or_monomer=is_homomer_or_monomer, + all_chain_features=all_chain_features, + merge_method=merge_method, + msa_crop_size=max_size, + ) + elif msa_entity_type == "prot": + np_example = pair_and_merge( + is_homomer_or_monomer=is_homomer_or_monomer, + all_chain_features=all_chain_features, + merge_method=merge_method, + msa_crop_size=max_size, + ) + np_example = clip_msa(np_example, max_num_msa=max_size) + return np_example + + +class InferenceMSAFeaturizer(object): + # Now we only support protein msa in inference + + @staticmethod + def process_prot_single_sequence( + sequence: str, + description: str, + is_homomer_or_monomer: bool, + msa_dir: Union[str, None], + pairing_db: str, + ) -> FeatureDict: + """ + Processes a single protein sequence to generate sequence and MSA features. + + Args: + sequence (str): The input protein sequence. + description (str): Description of the sequence, typically the PDB name. + is_homomer_or_monomer (bool): Indicates if the sequence is a homomer or monomer. + msa_dir (Union[str, None]): Directory containing the MSA files, or None if no pre-computed MSA is provided. + pairing_db (str): Database used for pairing. + + Returns: + FeatureDict: A dictionary containing the sequence and MSA features. + + Raises: + AssertionError: If the pairing MSA file does not exist when `is_homomer_or_monomer` is False. + """ + # For non-pairing MSA + if msa_dir is None: + # No pre-computed MSA was provided, and the MSA search failed + raw_msa_paths = [] + else: + raw_msa_paths = [opjoin(msa_dir, "non_pairing.a3m")] + pdb_name = description + + sequence_features = process_single_sequence( + pdb_name=pdb_name, + sequence=sequence, + raw_msa_paths=raw_msa_paths, + seq_limits=[-1], + msa_entity_type="prot", + msa_type="non_pairing", + ) + if not is_homomer_or_monomer: + # Separately process the pairing MSA + assert opexists( + raw_msa_path := opjoin(msa_dir, "pairing.a3m") + ), f"No pairing-MSA of {pdb_name} (please check {raw_msa_path})" + + all_seq_msa_features = load_and_process_msa( + pdb_name=pdb_name, + msa_type="pairing", + raw_msa_paths=[raw_msa_path], + seq_limits=[-1], + identifier_func=get_identifier_func( + pairing_db=pairing_db, + ), + handle_empty="raise_error", + ) + sequence_features.update(all_seq_msa_features) + + return sequence_features + + @staticmethod + def get_inference_prot_msa_features_for_assembly( + bioassembly: Sequence[Mapping[str, Mapping[str, Any]]], + entity_to_asym_id: Mapping[str, set[int]], + ) -> FeatureDict: + """ + Processes the bioassembly to generate MSA features for protein entities in inference mode. + + Args: + bioassembly (Sequence[Mapping[str, Mapping[str, Any]]]): The bioassembly containing entity information. + entity_to_asym_id (Mapping[str, set[int]]): Mapping from entity ID to asym ID integers. + + Returns: + FeatureDict: A dictionary containing the MSA features for the protein entities. + + Raises: + AssertionError: If the provided precomputed MSA path does not exist. + """ + entity_to_asym_id_int = dict(entity_to_asym_id) + asym_to_entity_id = {} + entity_id_to_sequence = {} + # In inference mode, the keys in bioassembly is different from training + # Only contains protein entity, many-to-one mapping + entity_id_to_sequence = {} + for i, entity_info_wrapper in enumerate(bioassembly): + entity_id = str(i + 1) + entity_type = list(entity_info_wrapper.keys())[0] + entity_info = entity_info_wrapper[entity_type] + + if entity_type == PROT_TYPE_NAME: + # Update entity_id_to_sequence + entity_id_to_sequence[entity_id] = entity_info["sequence"] + + # Update asym_to_entity_id + for asym_id_int in entity_to_asym_id_int[entity_id]: + asym_to_entity_id[asym_id_int] = entity_id + if len(entity_id_to_sequence) == 0: + # No protein entity + return None + is_homomer_or_monomer = ( + len(set(entity_id_to_sequence.values())) == 1 + ) # Only one protein sequence + sequence_to_entity = defaultdict(list) + for entity_id, seq in entity_id_to_sequence.items(): + sequence_to_entity[seq].append(entity_id) + + sequence_to_features: dict[str, dict[str, Any]] = {} + msa_sequences = {} + msa_dirs = {} + for idx, (sequence, entity_id_list) in enumerate(sequence_to_entity.items()): + msa_info = bioassembly[int(entity_id_list[0]) - 1][PROT_TYPE_NAME]["msa"] + msa_dir = msa_info.get("precomputed_msa_dir", None) + if msa_dir is not None: + assert opexists( + msa_dir + ), f"The provided precomputed MSA path of entities {entity_id_list} does not exists: \n{msa_dir}" + msa_dirs[idx] = msa_dir + else: + pairing_db_fpath = msa_info.get("pairing_db_fpath", None) + non_pairing_db_fpath = msa_info.get("non_pairing_db_fpath", None) + assert ( + pairing_db_fpath is not None + ), "Path of pairing MSA database is not given." + assert ( + non_pairing_db_fpath is not None + ), "Path of non-pairing MSA database is not given." + assert msa_info["pairing_db"] in ["uniprot", "", None], ( + f"Using {msa_info['pairing_db']} as the source for MSA pairing " + f"is not supported in online MSA searching." + ) + + msa_info["pairing_db"] = "uniprot" + msa_sequences[idx] = (sequence, pairing_db_fpath, non_pairing_db_fpath) + if len(msa_sequences) > 0: + msa_dirs.update(msa_parallel(msa_sequences)) + + for idx, (sequence, entity_id_list) in enumerate(sequence_to_entity.items()): + + if len(entity_id_list) > 1: + logger.info( + f"Entities {entity_id_list} correspond to the same sequence." + ) + msa_info = bioassembly[int(entity_id_list[0]) - 1][PROT_TYPE_NAME]["msa"] + msa_dir = msa_dirs[idx] + + description = f"entity_{'_'.join(map(str, entity_id_list))}" + sequence_feat = InferenceMSAFeaturizer.process_prot_single_sequence( + sequence=sequence, + description=description, + is_homomer_or_monomer=is_homomer_or_monomer, + msa_dir=msa_dir, + pairing_db=msa_info["pairing_db"], + ) + sequence_feat = convert_monomer_features(sequence_feat) + sequence_to_features[sequence] = sequence_feat + if msa_dir and opexists(msa_dir) and idx in msa_sequences.keys(): + if (msa_save_dir := msa_info.get("msa_save_dir", None)) is not None: + if opexists(dst_dir := opjoin(msa_save_dir, str(idx + 1))): + shutil.rmtree(dst_dir) + shutil.copytree(msa_dir, dst_dir) + for fname in os.listdir(dst_dir): + if not fname.endswith(".a3m"): + os.remove(opjoin(dst_dir, fname)) + else: + shutil.rmtree(msa_dir) + + all_chain_features = { + asym_id_int: deepcopy( + sequence_to_features[entity_id_to_sequence[entity_id]] + ) + for asym_id_int, entity_id in asym_to_entity_id.items() + if seq in sequence_to_features + } + if len(all_chain_features) == 0: + return None + + np_example = merge_all_chain_features( + pdb_id="test_assembly", + all_chain_features=all_chain_features, + asym_to_entity_id=asym_to_entity_id, + is_homomer_or_monomer=is_homomer_or_monomer, + merge_method="dense_max", + max_size=MSA_MAX_SIZE, + msa_entity_type="prot", + ) + + return np_example + + def make_msa_feature( + bioassembly: Sequence[Mapping[str, Mapping[str, Any]]], + entity_to_asym_id: Mapping[str, Sequence[str]], + token_array: TokenArray, + atom_array: AtomArray, + ) -> Optional[dict[str, np.ndarray]]: + """ + Processes the bioassembly to generate MSA features for protein entities in inference mode and tokenizes the features. + + Args: + bioassembly (Sequence[Mapping[str, Mapping[str, Any]]]): The bioassembly containing entity information. + entity_to_asym_id (Mapping[str, Sequence[str]]): Mapping from entity ID to asym ID strings. + token_array (TokenArray): Token array of the bioassembly. + atom_array (AtomArray): Atom array of the bioassembly. + + Returns: + Optional[dict[str, np.ndarray]]: A dictionary containing the tokenized MSA features for the protein entities, + or an empty dictionary if no features are generated. + """ + msa_feats = InferenceMSAFeaturizer.get_inference_prot_msa_features_for_assembly( + bioassembly=bioassembly, + entity_to_asym_id=entity_to_asym_id, + ) + + if msa_feats is None: + return {} + + msa_feats = tokenize_msa( + msa_feats=msa_feats, + token_array=token_array, + atom_array=atom_array, + ) + return { + k: v + for (k, v) in msa_feats.items() + if k + in ["msa", "has_deletion", "deletion_value", "deletion_mean", "profile"] + } diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/msa_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/msa_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..82b573bda4ce87ad6b6274569a1f15b538193c6d --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/msa_utils.py @@ -0,0 +1,1416 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import logging +import os +import shutil +import string +import subprocess +import time +import uuid +from collections import OrderedDict, defaultdict +from os.path import exists as opexists +from typing import ( + Any, + Callable, + Iterable, + Mapping, + MutableMapping, + Optional, + Sequence, + Union, +) + +import numpy as np + +from protenix.data.constants import ( + PRO_STD_RESIDUES, + PROT_STD_RESIDUES_ONE_TO_THREE, + RNA_ID_TO_NT, + RNA_NT_TO_ID, + RNA_STD_RESIDUES, +) +from protenix.openfold_local.data import parsers +from protenix.openfold_local.data.msa_identifiers import ( + Identifiers, + _extract_sequence_identifier, + _parse_sequence_identifier, +) +from protenix.openfold_local.data.msa_pairing import ( + CHAIN_FEATURES, + MSA_FEATURES, + MSA_GAP_IDX, + MSA_PAD_VALUES, + SEQ_FEATURES, + block_diag, + create_paired_features, + deduplicate_unpaired_sequences, +) +from protenix.openfold_local.np import residue_constants +from protenix.utils.distributed import DIST_WRAPPER + +# FeatureDict, make_dummy_msa_obj, convert_monomer_features +# These are modified from openfold: data/data_pipeline +try: + from protenix.openfold_local.data.tools import jackhmmer +except ImportError: + print( + "Failed to import packages for searching MSA; can only run with precomputed MSA" + ) + +logger = logging.getLogger(__name__) +FeatureDict = MutableMapping[str, np.ndarray] + + +SEQ_FEATURES = list(SEQ_FEATURES) + ["profile"] + +HHBLITS_INDEX_TO_OUR_INDEX = { + hhblits_index: ( + PRO_STD_RESIDUES[PROT_STD_RESIDUES_ONE_TO_THREE[hhblits_letter]] + if hhblits_letter != "-" + else 31 + ) + for hhblits_index, hhblits_letter in residue_constants.ID_TO_HHBLITS_AA.items() +} +NEW_ORDER_LIST = tuple( + HHBLITS_INDEX_TO_OUR_INDEX[idx] for idx in range(len(HHBLITS_INDEX_TO_OUR_INDEX)) +) + +RNA_ID_TO_OUR_INDEX = { + key: RNA_STD_RESIDUES[value] if value != "-" else 31 + for key, value in RNA_ID_TO_NT.items() +} +RNA_NEW_ORDER_LIST = tuple( + RNA_ID_TO_OUR_INDEX[idx] for idx in range(len(RNA_ID_TO_OUR_INDEX)) +) + +RNA_MSA_GAP_IDX = RNA_NT_TO_ID["-"] + +RNA_MSA_PAD_VALUES = { + "msa_all_seq": RNA_MSA_GAP_IDX, + "msa_mask_all_seq": 1, + "deletion_matrix_all_seq": 0, + "deletion_matrix_int_all_seq": 0, + "msa": RNA_MSA_GAP_IDX, + "msa_mask": 1, + "deletion_matrix": 0, + "deletion_matrix_int": 0, +} + +REQUIRED_FEATURES = frozenset( + { + "asym_id", + "entity_id", + "sym_id", + "has_deletion", + "deletion_mean", + "deletion_value", + "msa", + "profile", + "num_alignments", + "residue_index", + "prot_pair_num_alignments", + "prot_unpair_num_alignments", + "rna_pair_num_alignments", + "rna_unpair_num_alignments", + } +) + +PROT_TYPE_NAME = "proteinChain" # inference protein name in json + + +def make_dummy_msa_obj(input_sequence) -> parsers.Msa: + deletion_matrix = [[0 for _ in input_sequence]] + return parsers.Msa( + sequences=[input_sequence], + deletion_matrix=deletion_matrix, + descriptions=["dummy"], + ) + + +def convert_monomer_features(monomer_features: FeatureDict) -> FeatureDict: + """Reshapes and modifies monomer features for multimer models.""" + converted = {} + unnecessary_leading_dim_feats = { + "sequence", + "domain_name", + "num_alignments", + "seq_length", + } + for feature_name, feature in monomer_features.items(): + if feature_name in unnecessary_leading_dim_feats: + # asarray ensures it's a np.ndarray. + feature = np.asarray(feature[0], dtype=feature.dtype) + elif feature_name == "aatype": + # The multimer model performs the one-hot operation itself. + feature = np.argmax(feature, axis=-1).astype(np.int32) + converted[feature_name] = feature + return converted + + +def make_sequence_features( + sequence: str, + num_res: int, + mapping: dict = residue_constants.restype_order_with_x, + x_token: str = "X", +) -> FeatureDict: + """ + Construct a feature dict of sequence features + + Args: + sequence (str): input sequence + num_res (int): number of residues in the input sequence + + Returns: + FeatureDict: basic features of the input sequence + """ + features = {} + features["aatype"] = residue_constants.sequence_to_onehot( + sequence=sequence, + mapping=mapping, + map_unknown_to_x=True, + x_token=x_token, + ) + features["between_segment_residues"] = np.zeros((num_res,), dtype=np.int32) + features["residue_index"] = np.array(range(num_res), dtype=np.int32) + 1 + features["seq_length"] = np.array([num_res] * num_res, dtype=np.int32) + features["sequence"] = np.array([sequence.encode("utf-8")], dtype=object) + return features + + +def make_msa_features( + msas: Sequence[parsers.Msa], + identifier_func: Callable, + mapping: tuple[dict] = ( + residue_constants.HHBLITS_AA_TO_ID, + residue_constants.ID_TO_HHBLITS_AA, + ), +) -> FeatureDict: + """ + Constructs a feature dict of MSA features + + Args: + msas (Sequence[parsers.Msa]): input MSA arrays + identifier_func (Callable): the function extracting species identifier from MSA + + Returns: + FeatureDict: raw MSA features + """ + if not msas: + raise ValueError("At least one MSA must be provided.") + + int_msa = [] + deletion_matrix = [] + species_ids = [] + seen_sequences = set() + for msa_index, msa in enumerate(msas): + if not msa: + raise ValueError(f"MSA {msa_index} must contain at least one sequence.") + for sequence_index, sequence in enumerate(msa.sequences): + if sequence in seen_sequences: + continue + seen_sequences.add(sequence) + int_msa.append([mapping[0][res] for res in sequence]) + deletion_matrix.append(msa.deletion_matrix[sequence_index]) + + identifiers = identifier_func( + msa.descriptions[sequence_index], + ) + + species_ids.append(identifiers.species_id.encode("utf-8")) + + # residue type from HHBLITS_AA_TO_ID + num_res = len(msas[0].sequences[0]) + num_alignments = len(int_msa) + features = {} + features["deletion_matrix_int"] = np.array(deletion_matrix, dtype=np.int32) + features["msa"] = np.array(int_msa, dtype=np.int32) + features["num_alignments"] = np.array([num_alignments] * num_res, dtype=np.int32) + features["msa_species_identifiers"] = np.array(species_ids, dtype=np.object_) + features["profile"] = _make_msa_profile( + msa=features["msa"], dict_size=len(mapping[1]) + ) # [num_res, 27] + return features + + +def _make_msa_profile(msa: np.ndarray, dict_size: int) -> np.ndarray: + """ + Make MSA profile (distribution over residues) + + Args: + msas (Sequence[parsers.Msa]): input MSA arrays + dict_size (int): number of residue types + + Returns: + np.array: MSA profile + """ + num_seqs = msa.shape[0] + all_res_types = np.arange(dict_size) + res_type_hits = msa[..., None] == all_res_types[None, ...] + res_type_counts = res_type_hits.sum(axis=0) + profile = res_type_counts / num_seqs + return profile + + +def parse_a3m(path: str, seq_limit: int) -> tuple[list[str], list[str]]: + """ + Parse a .a3m file + + Args: + path (str): file path + seq_limit (int): the max number of MSA sequences read from the file + seq_limit > 0: real limit + seq_limit = 0: return empty results + seq_limit < 0: no limit, return all results + + Returns: + tuple[list[str], list[str]]: parsed MSA sequences and their corresponding descriptions + """ + sequences, descriptions = [], [] + if seq_limit == 0: + return sequences, descriptions + + index = -1 + with open(path, "r") as f: + for i, line in enumerate(f): + line = line.strip() + if line.startswith(">"): + if seq_limit > 0 and len(sequences) > seq_limit: + break + index += 1 + descriptions.append(line[1:]) # Remove the '>' at the beginning. + sequences.append("") + continue + elif line.startswith("#"): + continue + elif not line: + continue # Skip blank lines. + sequences[index] += line + + return sequences, descriptions + + +def calc_stockholm_RNA_msa( + name_to_sequence: OrderedDict, query: Optional[str] +) -> dict[str, parsers.Msa]: + """ + Parses sequences and deletion matrix from stockholm format alignment. + + Args: + stockholm_string: The string contents of a stockholm file. The first + sequence in the file should be the query sequence. + + Returns: + A tuple of: + * A list of sequences that have been aligned to the query. These + might contain duplicates. + * The deletion matrix for the alignment as a list of lists. The element + at `deletion_matrix[i][j]` is the number of residues deleted from + the aligned sequence i at residue position j. + * The names of the targets matched, including the jackhmmer subsequence + suffix. + """ + msa = [] + deletion_matrix = [] + + if query is not None: + # Add query string to the alignment + if len(name_to_sequence.keys()) == 0: + # name_to_sequence = OrderedDict({"query": query}) + return OrderedDict() + else: + query = align_query_to_sto(query, list(name_to_sequence.values())[0]) + new_name_to_sequence = OrderedDict({"query": query}) + new_name_to_sequence.update(name_to_sequence) + name_to_sequence = new_name_to_sequence + + keep_columns = [] + for seq_index, sequence in enumerate(name_to_sequence.values()): + if seq_index == 0: + # Gather the columns with gaps from the query + query = sequence + keep_columns = [i for i, res in enumerate(query) if res != "-"] + + if len(sequence) < len(query): + sequence = sequence + "-" * (len(query) - len(sequence)) + + # Remove the columns with gaps in the query from all sequences. + aligned_sequence = "".join([sequence[c] for c in keep_columns]) + # Convert lower case letter to upper case + aligned_sequence = aligned_sequence.upper() + msa.append(aligned_sequence) + + # Count the number of deletions w.r.t. query. + deletion_vec = [] + deletion_count = 0 + for seq_res, query_res in zip(sequence, query): + if seq_res not in ["-", "."] or query_res != "-": + if query_res == "-": + deletion_count += 1 + else: + deletion_vec.append(deletion_count) + deletion_count = 0 + deletion_matrix.append(deletion_vec) + + return parsers.Msa( + sequences=msa, + deletion_matrix=deletion_matrix, + descriptions=list(name_to_sequence.keys()), + ) + + +def align_query_to_sto(query: str, sto_sequence: str): + """ + Aligns the query sequence to a Stockholm sequence by inserting gaps where necessary. + + Args: + query (str): The query sequence to be aligned. + sto_sequence (str): The Stockholm sequence to which the query is aligned. + + Returns: + str: The aligned query sequence. + """ + query = query.strip() + sto_sequence = sto_sequence.strip() + + query_chars = [] + j = 0 + + for i in range(len(sto_sequence)): + if sto_sequence[i].islower() or sto_sequence[i] == ".": + query_chars.append("-") + else: + query_chars.append(query[j]) + j += 1 + + aligned_query = "".join(query_chars) + + if j < len(query): + aligned_query += query[-(len(query) - j) :] + + return aligned_query + + +def parse_sto(path: str) -> OrderedDict: + """ + Parses a Stockholm file and returns an ordered dictionary mapping sequence names to their sequences. + + Args: + path (str): The path to the Stockholm file. + + Returns: + OrderedDict: An ordered dictionary where keys are sequence names and values are the corresponding sequences. + """ + name_to_sequence = OrderedDict() + with open(path, "r") as f: + for i, line in enumerate(f): + line = line.strip() + if not line or line.startswith(("#", "//")): + continue + name, sequence = line.split() + if name not in name_to_sequence: + name_to_sequence[name] = "" + name_to_sequence[name] += sequence + return name_to_sequence + + +def parse_msa_data( + raw_msa_paths: Sequence[str], + seq_limits: Sequence[int], + msa_entity_type: str, + query: Optional[str] = None, +) -> dict[str, parsers.Msa]: + """ + Parses MSA data based on the entity type (protein or RNA). + + Args: + raw_msa_paths (Sequence[str]): Paths to the MSA files. + seq_limits (Sequence[int]): Limits on the number of sequences to read from each file. + msa_entity_type (str): Type of MSA entity, either "prot" for protein or "rna" for RNA. + query (Optional[str]): The query sequence for RNA MSA parsing. Defaults to None. + + Returns: + dict[str, parsers.Msa]: A dictionary containing the parsed MSA data. + + Raises: + ValueError: If `msa_entity_type` is not "prot" or "rna". + """ + if msa_entity_type == "prot": + return parse_prot_msa_data(raw_msa_paths, seq_limits) + + if msa_entity_type == "rna": + return parse_rna_msa_data(raw_msa_paths, seq_limits, query=query) + return [] + + +def parse_rna_msa_data( + raw_msa_paths: Sequence[str], + seq_limits: Sequence[int], + query: Optional[str] = None, +) -> dict[str, parsers.Msa]: + """ + Parse MSAs for a sequence + + Args: + raw_msa_paths (Sequence[str]): Paths of MSA files + seq_limits (Sequence[int]): The max number of MSA sequences read from each file + + Returns: + Dict[str, parsers.Msa]: MSAs parsed from each file + """ + msa_data = {} + for path, seq_limit in zip(raw_msa_paths, seq_limits): + name_to_sequence = parse_sto(path) + # The sto file has been truncated to a maximum length of seq_limit + msa = calc_stockholm_RNA_msa( + name_to_sequence=name_to_sequence, + query=query, + ) + if len(msa) > 0: + msa_data[path] = msa + return msa_data + + +def parse_prot_msa_data( + raw_msa_paths: Sequence[str], + seq_limits: Sequence[int], +) -> dict[str, parsers.Msa]: + """ + Parse MSAs for a sequence + + Args: + raw_msa_paths (Sequence[str]): Paths of MSA files + seq_limits (Sequence[int]): The max number of MSA sequences read from each file + + Returns: + Dict[str, parsers.Msa]: MSAs parsed from each file + """ + msa_data = {} + for path, seq_limit in zip(raw_msa_paths, seq_limits): + sequences, descriptions = parse_a3m(path, seq_limit) + + deletion_matrix = [] + for msa_sequence in sequences: + deletion_vec = [] + deletion_count = 0 + for j in msa_sequence: + if j.islower(): + deletion_count += 1 + else: + deletion_vec.append(deletion_count) + deletion_count = 0 + deletion_matrix.append(deletion_vec) + + # Make the MSA matrix out of aligned (deletion-free) sequences. + deletion_table = str.maketrans("", "", string.ascii_lowercase) + aligned_sequences = [s.translate(deletion_table) for s in sequences] + assert all([len(seq) == len(aligned_sequences[0]) for seq in aligned_sequences]) + assert all([len(vec) == len(deletion_matrix[0]) for vec in deletion_matrix]) + + if len(aligned_sequences) > 0: + # skip empty file + msa = parsers.Msa( + sequences=aligned_sequences, + deletion_matrix=deletion_matrix, + descriptions=descriptions, + ) + msa_data[path] = msa + + return msa_data + + +def load_and_process_msa( + pdb_name: str, + msa_type: str, + raw_msa_paths: Sequence[str], + seq_limits: Sequence[int], + identifier_func: Optional[Callable] = lambda x: Identifiers(), + input_sequence: Optional[str] = None, + handle_empty: str = "return_self", + msa_entity_type: str = "prot", +) -> dict[str, Any]: + """ + Load and process MSA features of a single sequence + + Args: + pdb_name (str): f"{pdb_id}_{entity_id}" of the input entity + msa_type (str): Type of MSA ("pairing" or "non_pairing") + raw_msa_paths (Sequence[str]): Paths of MSA files + identifier_func (Optional[Callable]): The function extracting species identifier from MSA + input_sequence (str): The input sequence + handle_empty (str): How to handle empty MSA ("return_self" or "raise_error") + entity_type (str): rna or prot + + Returns: + Dict[str, Any]: processed MSA features + """ + msa_data = parse_msa_data( + raw_msa_paths, seq_limits, msa_entity_type=msa_entity_type, query=input_sequence + ) + if len(msa_data) == 0: + if handle_empty == "return_self": + msa_data["dummy"] = make_dummy_msa_obj(input_sequence) + elif handle_empty == "raise_error": + ValueError(f"No valid {msa_type} MSA for {pdb_name}") + else: + raise NotImplementedError( + f"Unimplemented empty-handling method: {handle_empty}" + ) + msas = list(msa_data.values()) + + if msa_type == "non_pairing": + return make_msa_features( + msas=msas, + identifier_func=identifier_func, + mapping=( + (residue_constants.HHBLITS_AA_TO_ID, residue_constants.ID_TO_HHBLITS_AA) + if msa_entity_type == "prot" + else (RNA_NT_TO_ID, RNA_ID_TO_NT) + ), + ) + elif msa_type == "pairing": + all_seq_features = make_msa_features( + msas=msas, + identifier_func=identifier_func, + mapping=( + (residue_constants.HHBLITS_AA_TO_ID, residue_constants.ID_TO_HHBLITS_AA) + if msa_entity_type == "prot" + else (RNA_NT_TO_ID, RNA_ID_TO_NT) + ), + ) + valid_feats = MSA_FEATURES + ("msa_species_identifiers",) + return { + f"{k}_all_seq": v for k, v in all_seq_features.items() if k in valid_feats + } + + +def add_assembly_features( + pdb_id: str, + all_chain_features: MutableMapping[str, FeatureDict], + asym_to_entity_id: Mapping[int, str], +) -> dict[str, FeatureDict]: + """ + Add features to distinguish between chains. + + Args: + all_chain_features (MutableMapping[str, FeatureDict]): A dictionary which maps chain_id to a dictionary of features for each chain. + asym_to_entity_id (Mapping[int, str]): A mapping from asym_id_int to entity_id + + Returns: + all_chain_features (MutableMapping[str, FeatureDict]): all_chain_features with assembly features added + """ + # Group the chains by entity + grouped_chains = defaultdict(list) + for asym_id_int, chain_features in all_chain_features.items(): + entity_id = asym_to_entity_id[asym_id_int] + chain_features["asym_id"] = asym_id_int + grouped_chains[entity_id].append(chain_features) + + new_all_chain_features = {} + for entity_id, group_chain_features in grouped_chains.items(): + assert int(entity_id) >= 0 + for sym_id, chain_features in enumerate(group_chain_features, start=1): + new_all_chain_features[f"{entity_id}_{sym_id}"] = chain_features + seq_length = chain_features["seq_length"] + chain_features["asym_id"] = ( + chain_features["asym_id"] * np.ones(seq_length) + ).astype(np.int64) + chain_features["sym_id"] = (sym_id * np.ones(seq_length)).astype(np.int64) + chain_features["entity_id"] = (int(entity_id) * np.ones(seq_length)).astype( + np.int64 + ) + chain_features["pdb_id"] = pdb_id + return new_all_chain_features + + +def process_unmerged_features( + all_chain_features: MutableMapping[str, Mapping[str, np.ndarray]] +): + """ + Postprocessing stage for per-chain features before merging + + Args: + all_chain_features (MutableMapping[str, Mapping[str, np.ndarray]]): MSA features of all chains + + Returns: + post-processed per-chain features + """ + for chain_features in all_chain_features.values(): + # Convert deletion matrices to float. + chain_features["deletion_matrix"] = np.asarray( + chain_features.pop("deletion_matrix_int"), dtype=np.float32 + ) + if "deletion_matrix_int_all_seq" in chain_features: + chain_features["deletion_matrix_all_seq"] = np.asarray( + chain_features.pop("deletion_matrix_int_all_seq"), dtype=np.float32 + ) + + chain_features["deletion_mean"] = np.mean( + chain_features["deletion_matrix"], axis=0 + ) + + +def pair_and_merge( + is_homomer_or_monomer: bool, + all_chain_features: MutableMapping[str, Mapping[str, np.ndarray]], + merge_method: str, + msa_crop_size: int, +) -> dict[str, np.ndarray]: + """ + Runs processing on features to augment, pair and merge + + Args: + is_homomer_or_monomer (bool): True if the bioassembly is a homomer or a monomer + all_chain_features (MutableMapping[str, Mapping[str, np.ndarray]]): + A MutableMap of dictionaries of features for each chain. + merge_method (str): How to merge unpaired MSA features + + Returns: + Dict[str, np.ndarray]: A dictionary of features + """ + + process_unmerged_features(all_chain_features) + + np_chains_list = list(all_chain_features.values()) + + pair_msa_sequences = not is_homomer_or_monomer + + if pair_msa_sequences: + np_chains_list = create_paired_features(chains=np_chains_list) + np_chains_list = deduplicate_unpaired_sequences(np_chains_list) + + np_chains_list = crop_chains( + np_chains_list, + msa_crop_size=msa_crop_size, + pair_msa_sequences=pair_msa_sequences, + ) + + np_example = merge_chain_features( + np_chains_list=np_chains_list, + pair_msa_sequences=pair_msa_sequences, + merge_method=merge_method, + msa_entity_type="prot", + ) + + np_example = process_prot_final(np_example) + + return np_example + + +def rna_merge( + all_chain_features: MutableMapping[str, Mapping[str, np.ndarray]], + merge_method: str, + msa_crop_size: int, +) -> dict[str, np.ndarray]: + """ + Runs processing on features to augment and merge + + Args: + all_chain_features (MutableMapping[str, Mapping[str, np.ndarray]]): + A MutableMap of dictionaries of features for each chain. + merge_method (str): how to merge unpaired MSA features + + Returns: + Dict[str, np.ndarray]: A dictionary of features + """ + process_unmerged_features(all_chain_features) + np_chains_list = list(all_chain_features.values()) + np_chains_list = crop_chains( + np_chains_list, + msa_crop_size=msa_crop_size, + pair_msa_sequences=False, + ) + np_example = merge_chain_features( + np_chains_list=np_chains_list, + pair_msa_sequences=False, + merge_method=merge_method, + msa_entity_type="rna", + ) + np_example = process_rna_final(np_example) + + return np_example + + +def merge_chain_features( + np_chains_list: list[Mapping[str, np.ndarray]], + pair_msa_sequences: bool, + merge_method: str, + msa_entity_type: str = "prot", +) -> Mapping[str, np.ndarray]: + """ + Merges features for multiple chains to single FeatureDict + + Args: + np_chains_list (List[Mapping[str, np.ndarray]]): List of FeatureDicts for each chain + pair_msa_sequences (bool): Whether to merge paired MSAs + merge_method (str): how to merge unpaired MSA features + msa_entity_type (str): protein or rna + + Returns: + Single FeatureDict for entire bioassembly + """ + np_chains_list = _merge_homomers_dense_features( + np_chains_list, merge_method, msa_entity_type=msa_entity_type + ) + + # Unpaired MSA features will be always block-diagonalised; paired MSA + # features will be concatenated. + np_example = _merge_features_from_multiple_chains( + np_chains_list, + pair_msa_sequences=False, + merge_method=merge_method, + msa_entity_type=msa_entity_type, + ) + + if pair_msa_sequences: + np_example = _concatenate_paired_and_unpaired_features(np_example) + + np_example = _correct_post_merged_feats( + np_example=np_example, + ) + + return np_example + + +def _merge_homomers_dense_features( + chains: Iterable[Mapping[str, np.ndarray]], + merge_method: str, + msa_entity_type: str = "prot", +) -> list[dict[str, np.ndarray]]: + """ + Merge all identical chains, making the resulting MSA dense + + Args: + chains (Iterable[Mapping[str, np.ndarray]]): An iterable of features for each chain + merge_method (str): how to merge unpaired MSA features + msa_entity_type (str): protein or rna + Returns: + List[Dict[str, np.ndarray]]: A list of feature dictionaries. All features with the same entity_id + will be merged - MSA features will be concatenated along the num_res dimension - making them dense. + """ + entity_chains = defaultdict(list) + for chain in chains: + entity_id = chain["entity_id"][0] + entity_chains[entity_id].append(chain) + + grouped_chains = [] + for entity_id in sorted(entity_chains): + chains = entity_chains[entity_id] + grouped_chains.append(chains) + chains = [ + _merge_features_from_multiple_chains( + chains, + pair_msa_sequences=True, + merge_method=merge_method, + msa_entity_type=msa_entity_type, + ) + for chains in grouped_chains + ] + return chains + + +def _merge_msa_features( + *feats: np.ndarray, + feature_name: str, + merge_method: str, + msa_entity_type: str = "prot", +) -> np.ndarray: + """ + Merge unpaired MSA features + + Args: + feats (np.ndarray): input features + feature_name (str): feature name + merge_method (str): how to merge unpaired MSA features + msa_entity_type (str): protein or rna + Returns: + np.ndarray: merged feature + """ + assert msa_entity_type in ["prot", "rna"] + if msa_entity_type == "prot": + mapping = MSA_PAD_VALUES + elif msa_entity_type == "rna": + mapping = RNA_MSA_PAD_VALUES + if merge_method == "sparse": + merged_feature = block_diag(*feats, pad_value=mapping[feature_name]) + elif merge_method in ["dense_min"]: + merged_feature = truncate_at_min(*feats) + elif merge_method in ["dense_max"]: + merged_feature = pad_to_max(*feats, pad_value=mapping[feature_name]) + else: + raise NotImplementedError( + f"Unknown merge method {merge_method}! Allowed merged methods are: " + ) + return merged_feature + + +def _merge_features_from_multiple_chains( + chains: Sequence[Mapping[str, np.ndarray]], + pair_msa_sequences: bool, + merge_method: str, + msa_entity_type: str = "prot", +) -> dict[str, np.ndarray]: + """ + Merge features from multiple chains. + + Args: + chains (Sequence[Mapping[str, np.ndarray]]): + A list of feature dictionaries that we want to merge + pair_msa_sequences (bool): Whether to concatenate MSA features along the + num_res dimension (if True), or to block diagonalize them (if False) + merge_method (str): how to merge unpaired MSA features + msa_entity_type (str): protein or rna + Returns: + Dict[str, np.ndarray]: A feature dictionary for the merged example + """ + merged_example = {} + for feature_name in chains[0]: + feats = [x[feature_name] for x in chains] + feature_name_split = feature_name.split("_all_seq")[0] + if feature_name_split in MSA_FEATURES: + if pair_msa_sequences or "_all_seq" in feature_name: + merged_example[feature_name] = np.concatenate(feats, axis=1) + else: + merged_example[feature_name] = _merge_msa_features( + *feats, + merge_method=merge_method, + feature_name=feature_name, + msa_entity_type=msa_entity_type, + ) + elif feature_name_split in SEQ_FEATURES: + merged_example[feature_name] = np.concatenate(feats, axis=0) + elif feature_name_split in CHAIN_FEATURES: + merged_example[feature_name] = np.sum([x for x in feats]).astype(np.int32) + else: + merged_example[feature_name] = feats[0] + return merged_example + + +def merge_features_from_prot_rna( + chains: Sequence[Mapping[str, np.ndarray]], +) -> dict[str, np.ndarray]: + """ + Merge features from prot and rna chains. + + Args: + chains (Sequence[Mapping[str, np.ndarray]]): + A list of feature dictionaries that we want to merge + + Returns: + Dict[str, np.ndarray]: A feature dictionary for the merged example + """ + merged_example = {} + if len(chains) == 1: # only prot or rna msa exists + return chains[0] + final_msa_pad_values = { + "msa": 31, + "has_deletion": False, + "deletion_value": 0, + } + for feature_name in set(chains[0].keys()).union(chains[1].keys()): + feats = [x[feature_name] for x in chains if feature_name in x] + if ( + feature_name in SEQ_FEATURES + ): # ["residue_index", "profile", "asym_id", "sym_id", "entity_id", "deletion_mean"] + merged_example[feature_name] = np.concatenate(feats, axis=0) + elif feature_name in ["msa", "has_deletion", "deletion_value"]: + merged_example[feature_name] = pad_to_max( + *feats, pad_value=final_msa_pad_values[feature_name] + ) + elif feature_name in [ + "prot_pair_num_alignments", + "prot_unpair_num_alignments", + "rna_pair_num_alignments", + "rna_unpair_num_alignments", + ]: # unmerged keys keep for tracking + merged_example[feature_name] = feats[0] + else: + continue + merged_example["num_alignments"] = np.asarray( + merged_example["msa"].shape[0], dtype=np.int32 + ) + return merged_example + + +def _concatenate_paired_and_unpaired_features( + np_example: Mapping[str, np.ndarray] +) -> dict[str, np.ndarray]: + """ + Concatenate paired and unpaired features + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: features with paired and unpaired features concatenated + """ + features = MSA_FEATURES + for feature_name in features: + if feature_name in np_example: + feat = np_example[feature_name] + feat_all_seq = np_example[feature_name + "_all_seq"] + merged_feat = np.concatenate([feat_all_seq, feat], axis=0) + np_example[feature_name] = merged_feat + np_example["num_alignments"] = np.array(np_example["msa"].shape[0], dtype=np.int32) + return np_example + + +def _correct_post_merged_feats( + np_example: Mapping[str, np.ndarray], +) -> dict[str, np.ndarray]: + """ + Adds features that need to be computed/recomputed post merging + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + + np_example["seq_length"] = np.asarray(np_example["aatype"].shape[0], dtype=np.int32) + np_example["num_alignments"] = np.asarray( + np_example["msa"].shape[0], dtype=np.int32 + ) + return np_example + + +def _add_msa_num_alignment( + np_example: Mapping[str, np.ndarray], msa_entity_type: str = "prot" +) -> dict[str, np.ndarray]: + """ + Adds pair and unpair msa alignments num + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + assert msa_entity_type in ["prot", "rna"] + if "msa_all_seq" in np_example: + pair_num_alignments = np.asarray( + np_example["msa_all_seq"].shape[0], dtype=np.int32 + ) + else: + pair_num_alignments = np.asarray(0, dtype=np.int32) + np_example[f"{msa_entity_type}_pair_num_alignments"] = pair_num_alignments + np_example[f"{msa_entity_type}_unpair_num_alignments"] = ( + np_example["num_alignments"] - pair_num_alignments + ) + return np_example + + +def process_prot_final(np_example: Mapping[str, np.ndarray]) -> dict[str, np.ndarray]: + """ + Final processing steps in data pipeline, after merging and pairing + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + np_example = correct_msa_restypes(np_example) + np_example = final_transform(np_example) + np_example = _add_msa_num_alignment(np_example, msa_entity_type="prot") + np_example = filter_features(np_example) + + return np_example + + +def correct_msa_restypes(np_example: Mapping[str, np.ndarray]) -> dict[str, np.ndarray]: + """ + Correct MSA restype to have the same order as residue_constants + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + # remap msa + np_example["msa"] = np.take(NEW_ORDER_LIST, np_example["msa"], axis=0) + np_example["msa"] = np_example["msa"].astype(np.int32) + + seq_len, profile_dim = np_example["profile"].shape + assert profile_dim == len(NEW_ORDER_LIST) + profile = np.zeros((seq_len, 32)) + profile[:, np.array(NEW_ORDER_LIST)] = np_example["profile"] + + np_example["profile"] = profile + return np_example + + +def process_rna_final(np_example: Mapping[str, np.ndarray]) -> dict[str, np.ndarray]: + """ + Final processing steps in data pipeline, after merging and pairing + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + np_example = correct_rna_msa_restypes(np_example) + np_example = final_transform(np_example) + np_example = _add_msa_num_alignment(np_example, msa_entity_type="rna") + np_example = filter_features(np_example) + + return np_example + + +def correct_rna_msa_restypes( + np_example: Mapping[str, np.ndarray] +) -> dict[str, np.ndarray]: + """ + Correct MSA restype to have the same order as residue_constants + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + # remap msa + np_example["msa"] = np.take(RNA_NEW_ORDER_LIST, np_example["msa"], axis=0) + np_example["msa"] = np_example["msa"].astype(np.int32) + + seq_len, profile_dim = np_example["profile"].shape + assert profile_dim == len(RNA_NEW_ORDER_LIST) + profile = np.zeros((seq_len, 32)) + profile[:, np.array(RNA_NEW_ORDER_LIST)] = np_example["profile"] + + np_example["profile"] = profile + return np_example + + +def final_transform(np_example: Mapping[str, np.ndarray]) -> dict[str, np.ndarray]: + """ + Performing some transformations related to deletion_matrix + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + deletion_mat = np_example.pop("deletion_matrix") + np_example["has_deletion"] = np.clip(deletion_mat, a_min=0, a_max=1).astype( + np.bool_ + ) + + np_example["deletion_value"] = (2 / np.pi) * np.arctan(deletion_mat / 3) + assert np.all(-1e-5 < np_example["deletion_value"]) and np.all( + np_example["deletion_value"] < (1 + 1e-5) + ) + return np_example + + +def filter_features(np_example: Mapping[str, np.ndarray]) -> dict[str, np.ndarray]: + """ + Filters features of example to only those requested + + Args: + np_example (Mapping[str, np.ndarray]): input features + + Returns: + Dict[str, np.ndarray]: processed features + """ + return {k: v for (k, v) in np_example.items() if k in REQUIRED_FEATURES} + + +def crop_chains( + chains_list: Sequence[Mapping[str, np.ndarray]], + msa_crop_size: int, + pair_msa_sequences: bool, +) -> list[Mapping[str, np.ndarray]]: + """ + Crops the MSAs for a set of chains. + + Args: + chains_list (Sequence[Mapping[str, np.ndarray]]): A list of chains to be cropped. + msa_crop_size (int): The total number of sequences to crop from the MSA. + pair_msa_sequences (bool): Whether we are operating in sequence-pairing mode. + + Returns: + List[Mapping[str, np.ndarray]]: The chains cropped + """ + + # Apply the cropping. + cropped_chains = [] + for chain in chains_list: + cropped_chain = _crop_single_chain( + chain, + msa_crop_size=msa_crop_size, + pair_msa_sequences=pair_msa_sequences, + ) + cropped_chains.append(cropped_chain) + + return cropped_chains + + +def _crop_single_chain( + chain: Mapping[str, np.ndarray], + msa_crop_size: int, # 2048 + pair_msa_sequences: bool, +) -> dict[str, np.ndarray]: + """ + Crops msa sequences to msa_crop_size + + Args: + chain (Mapping[str, np.ndarray]): The chain to be cropped + msa_crop_size (int): The total number of sequences to crop from the MSA + pair_msa_sequences (bool): Whether we are operating in sequence-pairing mode + + Returns: + Dict[str, np.ndarray]: The chains cropped + """ + msa_size = chain["num_alignments"] + + if pair_msa_sequences: + msa_size_all_seq = chain["num_alignments_all_seq"] + msa_crop_size_all_seq = np.minimum(msa_size_all_seq, msa_crop_size // 2) + + # We reduce the number of un-paired sequences, by the number of times a + # sequence from this chain's MSA is included in the paired MSA. This keeps + # the MSA size for each chain roughly constant. + msa_all_seq = chain["msa_all_seq"][:msa_crop_size_all_seq, :] + num_non_gapped_pairs = np.sum(np.any(msa_all_seq != MSA_GAP_IDX, axis=1)) + num_non_gapped_pairs = np.minimum(num_non_gapped_pairs, msa_crop_size_all_seq) + + # Restrict the unpaired crop size so that paired+unpaired sequences do not + # exceed msa_seqs_per_chain for each chain. + max_msa_crop_size = np.maximum(msa_crop_size - num_non_gapped_pairs, 0) + msa_crop_size = np.minimum(msa_size, max_msa_crop_size) + else: + msa_crop_size = np.minimum(msa_size, msa_crop_size) + + for k in chain: + k_split = k.split("_all_seq")[0] + if k_split in MSA_FEATURES: + if "_all_seq" in k and pair_msa_sequences: + chain[k] = chain[k][:msa_crop_size_all_seq, :] + else: + chain[k] = chain[k][:msa_crop_size, :] + + chain["num_alignments"] = np.asarray(msa_crop_size, dtype=np.int32) + if pair_msa_sequences: + chain["num_alignments_all_seq"] = np.asarray( + msa_crop_size_all_seq, dtype=np.int32 + ) + return chain + + +def truncate_at_min(*arrs: np.ndarray) -> np.ndarray: + """ + Processing unpaired features by truncating at the min length + + Args: + arrs (np.ndarray): input features + + Returns: + np.ndarray: truncated features + """ + min_num_msa = min([x.shape[0] for x in arrs]) + truncated_arrs = [x[:min_num_msa, :] for x in arrs] + new_arrs = np.concatenate(truncated_arrs, axis=1) + return new_arrs + + +def pad_to_max(*arrs: np.ndarray, pad_value: float = 0.0) -> np.ndarray: + """ + Processing unpaired features by padding to the max length + + Args: + arrs (np.ndarray): input features + + Returns: + np.ndarray: padded features + """ + max_num_msa = max([x.shape[0] for x in arrs]) + padded_arrs = [ + np.pad( + x, + ((0, (max_num_msa - x.shape[0])), (0, 0)), + mode="constant", + constant_values=pad_value, + ) + for x in arrs + ] + new_arrs = np.concatenate(padded_arrs, axis=1) + return new_arrs + + +def clip_msa( + np_example: Mapping[str, np.ndarray], max_num_msa: int +) -> dict[str, np.ndarray]: + """ + Clip MSA features to a maximum length + + Args: + np_example (Mapping[str, np.ndarray]): input MSA features + pad_value (float): pad value + + Returns: + Dict[str, np.ndarray]: clipped MSA features + """ + if np_example["msa"].shape[0] > max_num_msa: + for k in ["msa", "has_deletion", "deletion_value"]: + np_example[k] = np_example[k][:max_num_msa, :] + np_example["num_alignments"] = max_num_msa + assert np_example["num_alignments"] == np_example["msa"].shape[0] + return np_example + + +def get_identifier_func(pairing_db: str) -> Callable: + """ + Get the function the extracts species identifier from sequence descriptions + + Args: + pairing_db (str): the database from which MSAs for pairing are searched + + Returns: + Callable: the function the extracts species identifier from sequence descriptions + """ + if pairing_db.startswith("uniprot"): + + def func(description: str) -> Identifiers: + sequence_identifier = _extract_sequence_identifier(description) + if sequence_identifier is None: + return Identifiers() + else: + return _parse_sequence_identifier(sequence_identifier) + + return func + + elif pairing_db.startswith("uniref100"): + + def func(description: str) -> Identifiers: + if ( + description.startswith("UniRef100") + and "/" in description + and (first_comp := description.split("/")[0]).count("_") == 2 + ): + identifier = Identifiers(species_id=first_comp.split("_")[-1]) + else: + identifier = Identifiers() + return identifier + + return func + else: + raise NotImplementedError( + f"Identifier func for {pairing_db} is not implemented" + ) + + +def run_msa_tool( + msa_runner, + fasta_path: str, + msa_out_path: str, + msa_format: str, + max_sto_sequences: Optional[int] = None, +) -> Mapping[str, Any]: + """Runs an MSA tool, checking if output already exists first.""" + if msa_format == "sto" and max_sto_sequences is not None: + result = msa_runner.query(fasta_path, max_sto_sequences)[0] + else: + result = msa_runner.query(fasta_path)[0] + + assert msa_out_path.split(".")[-1] == msa_format + with open(msa_out_path, "w") as f: + f.write(result[msa_format]) + + return result + + +def search_msa(sequence: str, db_fpath: str, res_fpath: str = ""): + assert opexists( + db_fpath + ), f"Database path for MSA searching does not exists:\n{db_fpath}" + seq_name = uuid.uuid4().hex + db_name = os.path.basename(db_fpath) + jackhmmer_binary_path = shutil.which("jackhmmer") + msa_runner = jackhmmer.Jackhmmer( + binary_path=jackhmmer_binary_path, + database_path=db_fpath, + n_cpu=2, + ) + if res_fpath == "": + tmp_dir = f"/tmp/{uuid.uuid4().hex}" + res_fpath = os.path.join(tmp_dir, f"{seq_name}.a3m") + else: + tmp_dir = os.path.dirname(res_fpath) + os.makedirs(tmp_dir, exist_ok=True) + output_sto_path = os.path.join(tmp_dir, f"{seq_name}.sto") + with open((tmp_fasta_path := f"{tmp_dir}/{seq_name}_{db_name}.fasta"), "w") as f: + f.write(f">query\n") + f.write(sequence) + + logger.info(f"Searching MSA for {seq_name}\n. Will be saved to {output_sto_path}") + _ = run_msa_tool(msa_runner, tmp_fasta_path, output_sto_path, "sto") + if not opexists(output_sto_path): + logger.info(f"Failed to search MSA for {sequence} from the database {db_fpath}") + return + + logger.info(f"Reformatting the MSA file. Will be saved to {res_fpath}") + + cmd = f"/opt/hhsuite/scripts/reformat.pl {output_sto_path} {res_fpath}" + try: + subprocess.check_call(cmd, shell=True, executable="/bin/bash") + except Exception as e: + logger.info(f"Reformatting failed:\n {e}\nRetry {cmd}...") + time.sleep(1) + subprocess.check_call(cmd, shell=True, executable="/bin/bash") + if not os.path.exists(res_fpath): + logger.info( + f"Failed to reformat the MSA file. Please check the validity of the .sto file{output_sto_path}" + ) + return + + +def search_msa_paired( + sequence: str, pairing_db_fpath: str, non_pairing_db_fpath: str, idx: int = -1 +) -> tuple[Union[str, None], int]: + tmp_dir = f"/tmp/{uuid.uuid4().hex}_{str(time.time()).replace('.', '_')}_{DIST_WRAPPER.rank}_{idx}" + os.makedirs(tmp_dir, exist_ok=True) + pairing_file = os.path.join(tmp_dir, "pairing.a3m") + search_msa(sequence, pairing_db_fpath, pairing_file) + if not os.path.exists(pairing_file): + return None, idx + non_pairing_file = os.path.join(tmp_dir, "non_pairing.a3m") + search_msa(sequence, non_pairing_db_fpath, non_pairing_file) + if not os.path.exists(non_pairing_file): + return None, idx + else: + return tmp_dir, idx + + +def msa_parallel(sequences: dict[int, tuple[str, str, str]]) -> dict[int, str]: + from concurrent.futures import ThreadPoolExecutor + + num_threads = 4 + results = [] + with ThreadPoolExecutor(max_workers=num_threads) as executor: + futures = [ + executor.submit(search_msa_paired, seq[0], seq[1], seq[2], idx) + for idx, seq in sequences.items() + ] + # Wait for all threads to complete + for future in futures: + results.append(future.result()) + msa_res = {} + for x in results: + msa_res[x[1]] = x[0] + return msa_res diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/parser.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/parser.py new file mode 100644 index 0000000000000000000000000000000000000000..a64047d450c32e08c164b8b70d9a5cf4fd028a23 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/parser.py @@ -0,0 +1,1173 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import copy +import functools +import gzip +import logging +from collections import Counter +from pathlib import Path +from typing import Optional, Union + +import biotite.structure as struc +import biotite.structure.io.pdbx as pdbx +import numpy as np +import pandas as pd +from biotite.structure import AtomArray, get_chain_starts, get_residue_starts +from biotite.structure.io.pdbx import convert as pdbx_convert +from biotite.structure.molecules import get_molecule_indices + +from protenix.data import ccd +from protenix.data.ccd import get_ccd_ref_info +from protenix.data.constants import ( + DNA_STD_RESIDUES, + PROT_STD_RESIDUES_ONE_TO_THREE, + RES_ATOMS_DICT, + RNA_STD_RESIDUES, + STD_RESIDUES, +) +from protenix.data.utils import get_starts_by + +logger = logging.getLogger(__name__) + +# Ignore inter residue metal coordinate bonds in mmcif _struct_conn +if "metalc" in pdbx_convert.PDBX_COVALENT_TYPES: # for reload + pdbx_convert.PDBX_COVALENT_TYPES.remove("metalc") + + +class MMCIFParser: + def __init__(self, mmcif_file: Union[str, Path]) -> None: + self.cif = self._parse(mmcif_file=mmcif_file) + + def _parse(self, mmcif_file: Union[str, Path]) -> pdbx.CIFFile: + mmcif_file = Path(mmcif_file) + if mmcif_file.suffix == ".gz": + with gzip.open(mmcif_file, "rt") as f: + cif_file = pdbx.CIFFile.read(f) + else: + with open(mmcif_file, "rt") as f: + cif_file = pdbx.CIFFile.read(f) + return cif_file + + def get_category_table(self, name: str) -> Union[pd.DataFrame, None]: + if name not in self.cif.block: + return None + category = self.cif.block[name] + category_dict = {k: column.as_array() for k, column in category.items()} + return pd.DataFrame(category_dict, dtype=str) + + @staticmethod + def mse_to_met(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI chapter 2.1 + MSE residues are converted to MET residues. + + Args: + atom_array (AtomArray): Biotite AtomArray object. + + Returns: + AtomArray: Biotite AtomArray object after converted MSE to MET. + """ + mse = atom_array.res_name == "MSE" + se = mse & (atom_array.atom_name == "SE") + atom_array.atom_name[se] = "SD" + atom_array.element[se] = "S" + atom_array.res_name[mse] = "MET" + atom_array.hetero[mse] = False + return atom_array + + @functools.cached_property + def methods(self) -> list[str]: + """the methods to get the structure + + most of the time, methods only has one method, such as 'X-RAY DIFFRACTION', + but about 233 entries have multi methods, such as ['X-RAY DIFFRACTION', 'NEUTRON DIFFRACTION']. + + Allowed Values: + https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_exptl.method.html + + Returns: + list[str]: such as ['X-RAY DIFFRACTION'], ['ELECTRON MICROSCOPY'], ['SOLUTION NMR', 'THEORETICAL MODEL'], + ['X-RAY DIFFRACTION', 'NEUTRON DIFFRACTION'], ['ELECTRON MICROSCOPY', 'SOLUTION NMR'], etc. + """ + if "exptl" not in self.cif.block: + return [] + else: + methods = self.cif.block["exptl"]["method"] + return methods.as_array() + + def get_poly_res_names( + self, atom_array: Optional[AtomArray] = None + ) -> dict[str, list[str]]: + """get 3-letter residue names by combining mmcif._entity_poly_seq and atom_array + + if ref_atom_array is None: keep first altloc residue of the same res_id based in mmcif._entity_poly_seq + if ref_atom_array is provided: keep same residue of ref_atom_array. + + Returns + dict[str, list[str]]: label_entity_id --> [res_ids, res_names] + """ + entity_res_names = {} + if atom_array is not None: + # build entity_id -> res_id -> res_name for input atom array + res_starts = struc.get_residue_starts(atom_array, add_exclusive_stop=False) + for start in res_starts: + entity_id = atom_array.label_entity_id[start] + res_id = atom_array.res_id[start] + res_name = atom_array.res_name[start] + if entity_id in entity_res_names: + entity_res_names[entity_id][res_id] = res_name + else: + entity_res_names[entity_id] = {res_id: res_name} + + # build reference entity atom array, including missing residues + entity_poly_seq = self.get_category_table("entity_poly_seq") + if entity_poly_seq is None: + return {} + + poly_res_names = {} + for entity_id, poly_type in self.entity_poly_type.items(): + chain_mask = entity_poly_seq.entity_id == entity_id + seq_mon_ids = entity_poly_seq.mon_id[chain_mask].to_numpy(dtype=str) + + # replace all MSE to MET in _entity_poly_seq.mon_id + seq_mon_ids[seq_mon_ids == "MSE"] = "MET" + + seq_nums = entity_poly_seq.num[chain_mask].to_numpy(dtype=int) + + if np.unique(seq_nums).size == seq_nums.size: + # no altloc residues + poly_res_names[entity_id] = seq_mon_ids + continue + + # filter altloc residues, eg: 181 ALA (altloc A); 181 GLY (altloc B) + select_mask = np.zeros(len(seq_nums), dtype=bool) + matching_res_id = seq_nums[0] + for i, res_id in enumerate(seq_nums): + if res_id != matching_res_id: + continue + + res_name_in_atom_array = entity_res_names.get(entity_id, {}).get(res_id) + if res_name_in_atom_array is None: + # res_name is mssing in atom_array, + # keep first altloc residue of the same res_id + select_mask[i] = True + else: + # keep match residue to atom_array + if res_name_in_atom_array == seq_mon_ids[i]: + select_mask[i] = True + + if select_mask[i]: + matching_res_id += 1 + + seq_mon_ids = seq_mon_ids[select_mask] + seq_nums = seq_nums[select_mask] + assert len(seq_nums) == max(seq_nums) + poly_res_names[entity_id] = seq_mon_ids + return poly_res_names + + def get_sequences(self, atom_array=None) -> dict: + """get sequence by combining mmcif._entity_poly_seq and atom_array + + if ref_atom_array is None: keep first altloc residue of the same res_id based in mmcif._entity_poly_seq + if ref_atom_array is provided: keep same residue of atom_array. + + Return + Dict{str:str}: label_entity_id --> canonical_sequence + """ + sequences = {} + for entity_id, res_names in self.get_poly_res_names(atom_array).items(): + seq = ccd.res_names_to_sequence(res_names) + sequences[entity_id] = seq + return sequences + + @functools.cached_property + def entity_poly_type(self) -> dict[str, str]: + """ + Ref: https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_entity_poly.type.html + Map entity_id to entity_poly_type. + + Allowed Value: + · cyclic-pseudo-peptide + · other + · peptide nucleic acid + · polydeoxyribonucleotide + · polydeoxyribonucleotide/polyribonucleotide hybrid + · polypeptide(D) + · polypeptide(L) + · polyribonucleotide + + Returns: + Dict: a dict of label_entity_id --> entity_poly_type. + """ + entity_poly = self.get_category_table("entity_poly") + if entity_poly is None: + return {} + + return {i: t for i, t in zip(entity_poly.entity_id, entity_poly.type)} + + def filter_altloc(self, atom_array: AtomArray, altloc: str = "first"): + """ + altloc: "first", "A", "B", "global_largest", etc + + Filter first alternate coformation (altloc) of a given AtomArray. + - normally first altloc_id is 'A' + - but in one case, first altloc_id is '1' in 6uwi.cif + + biotite v0.41 can not handle diff res_name at same res_id. + For example, in 2pxs.cif, there are two res_name (XYG|DYG) at res_id 63, + need to keep the first XYG. + """ + if altloc == "all": + return atom_array + + altloc_id = altloc + if altloc == "first": + letter_altloc_ids = np.unique(atom_array.label_alt_id) + if len(letter_altloc_ids) == 1 and letter_altloc_ids[0] == ".": + return atom_array + letter_altloc_ids = letter_altloc_ids[letter_altloc_ids != "."] + altloc_id = np.sort(letter_altloc_ids)[0] + + return atom_array[np.isin(atom_array.label_alt_id, [altloc_id, "."])] + + @staticmethod + def replace_auth_with_label(atom_array: AtomArray) -> AtomArray: + # fix issue https://github.com/biotite-dev/biotite/issues/553 + atom_array.chain_id = atom_array.label_asym_id + + # reset ligand res_id + res_id = copy.deepcopy(atom_array.label_seq_id) + chain_starts = get_chain_starts(atom_array, add_exclusive_stop=True) + for chain_start, chain_stop in zip(chain_starts[:-1], chain_starts[1:]): + if atom_array.label_seq_id[chain_start] != ".": + continue + else: + res_starts = get_residue_starts( + atom_array[chain_start:chain_stop], add_exclusive_stop=True + ) + num = 1 + for res_start, res_stop in zip(res_starts[:-1], res_starts[1:]): + res_id[chain_start:chain_stop][res_start:res_stop] = num + num += 1 + + atom_array.res_id = res_id.astype(int) + return atom_array + + def get_structure( + self, + altloc: str = "first", + model: int = 1, + bond_lenth_threshold: Union[float, None] = 2.4, + ) -> AtomArray: + """ + Get an AtomArray created by bioassembly of MMCIF. + + altloc: "first", "all", "A", "B", etc + model: the model number of the structure. + bond_lenth_threshold: the threshold of bond length. If None, no filter will be applied. + Default is 2.4 Angstroms. + + Returns: + AtomArray: Biotite AtomArray object created by bioassembly of MMCIF. + """ + use_author_fields = True + extra_fields = ["label_asym_id", "label_entity_id", "auth_asym_id"] # chain + extra_fields += ["label_seq_id", "auth_seq_id"] # residue + atom_site_fields = { + "occupancy": "occupancy", + "pdbx_formal_charge": "charge", + "B_iso_or_equiv": "b_factor", + "label_alt_id": "label_alt_id", + } # atom + for atom_site_name, alt_name in atom_site_fields.items(): + if atom_site_name in self.cif.block["atom_site"]: + extra_fields.append(alt_name) + + block = self.cif.block + + extra_fields = set(extra_fields) + + atom_site = block.get("atom_site") + + models = atom_site["pdbx_PDB_model_num"].as_array(np.int32) + model_starts = pdbx_convert._get_model_starts(models) + model_count = len(model_starts) + + if model == 0: + raise ValueError("The model index must not be 0") + # Negative models mean model indexing starting from last model + + model = model_count + model + 1 if model < 0 else model + if model > model_count: + raise ValueError( + f"The file has {model_count} models, " + f"the given model {model} does not exist" + ) + + model_atom_site = pdbx_convert._filter_model(atom_site, model_starts, model) + # Any field of the category would work here to get the length + model_length = model_atom_site.row_count + atoms = AtomArray(model_length) + + atoms.coord[:, 0] = model_atom_site["Cartn_x"].as_array(np.float32) + atoms.coord[:, 1] = model_atom_site["Cartn_y"].as_array(np.float32) + atoms.coord[:, 2] = model_atom_site["Cartn_z"].as_array(np.float32) + + atoms.box = pdbx_convert._get_box(block) + + # The below part is the same for both, AtomArray and AtomArrayStack + pdbx_convert._fill_annotations( + atoms, model_atom_site, extra_fields, use_author_fields + ) + + bonds = struc.connect_via_residue_names(atoms, inter_residue=False) + if "struct_conn" in block: + conn_bonds = pdbx_convert._parse_inter_residue_bonds( + model_atom_site, block["struct_conn"] + ) + coord1 = atoms.coord[conn_bonds._bonds[:, 0]] + coord2 = atoms.coord[conn_bonds._bonds[:, 1]] + dist = np.linalg.norm(coord1 - coord2, axis=1) + if bond_lenth_threshold is not None: + conn_bonds._bonds = conn_bonds._bonds[dist < bond_lenth_threshold] + bonds = bonds.merge(conn_bonds) + atoms.bonds = bonds + + atom_array = self.filter_altloc(atoms, altloc=altloc) + + # inference inter residue bonds based on res_id (auth_seq_id) and label_asym_id. + atom_array = ccd.add_inter_residue_bonds( + atom_array, + exclude_struct_conn_pairs=True, + remove_far_inter_chain_pairs=True, + ) + + # use label_seq_id to match seq and structure + atom_array = self.replace_auth_with_label(atom_array) + + # inference inter residue bonds based on new res_id (label_seq_id). + # the auth_seq_id is not reliable, some are discontinuous (8bvh), some with insertion codes (6ydy). + atom_array = ccd.add_inter_residue_bonds( + atom_array, exclude_struct_conn_pairs=True + ) + return atom_array + + def expand_assembly( + self, structure: AtomArray, assembly_id: str = "1" + ) -> AtomArray: + """ + Expand the given assembly to all chains + copy from biotite.structure.io.pdbx.get_assembly + + Args: + structure (AtomArray): The AtomArray of the structure to expand. + assembly_id (str, optional): The assembly ID in mmCIF file. Defaults to "1". + If assembly_id is "all", all assemblies will be returned. + + Returns: + AtomArray: The assembly AtomArray. + """ + block = self.cif.block + + try: + assembly_gen_category = block["pdbx_struct_assembly_gen"] + except KeyError: + logging.info( + "File has no 'pdbx_struct_assembly_gen' category, return original structure." + ) + return structure + + try: + struct_oper_category = block["pdbx_struct_oper_list"] + except KeyError: + logging.info( + "File has no 'pdbx_struct_oper_list' category, return original structure." + ) + return structure + + assembly_ids = assembly_gen_category["assembly_id"].as_array(str) + + if assembly_id != "all": + if assembly_id is None: + assembly_id = assembly_ids[0] + elif assembly_id not in assembly_ids: + raise KeyError(f"File has no Assembly ID '{assembly_id}'") + + ### Calculate all possible transformations + transformations = pdbx_convert._get_transformations(struct_oper_category) + + ### Get transformations and apply them to the affected asym IDs + assembly = None + assembly_1_mask = [] + for id, op_expr, asym_id_expr in zip( + assembly_gen_category["assembly_id"].as_array(str), + assembly_gen_category["oper_expression"].as_array(str), + assembly_gen_category["asym_id_list"].as_array(str), + ): + # Find the operation expressions for given assembly ID + # We already asserted that the ID is actually present + if assembly_id == "all" or id == assembly_id: + operations = pdbx_convert._parse_operation_expression(op_expr) + asym_ids = asym_id_expr.split(",") + # Filter affected asym IDs + sub_structure = copy.deepcopy( + structure[..., np.isin(structure.label_asym_id, asym_ids)] + ) + sub_assembly = pdbx_convert._apply_transformations( + sub_structure, transformations, operations + ) + # Merge the chains with asym IDs for this operation + # with chains from other operations + if assembly is None: + assembly = sub_assembly + else: + assembly += sub_assembly + + if id == "1": + assembly_1_mask.extend([True] * len(sub_assembly)) + else: + assembly_1_mask.extend([False] * len(sub_assembly)) + + if assembly_id == "1" or assembly_id == "all": + assembly.set_annotation("assembly_1", np.array(assembly_1_mask)) + return assembly + + +class AddAtomArrayAnnot(object): + """ + The methods in this class are all designed to add annotations to an AtomArray + without altering the information in the original AtomArray. + """ + + @staticmethod + def add_token_mol_type( + atom_array: AtomArray, sequences: dict[str, str] + ) -> AtomArray: + """ + Add molecule types in atom_arry.mol_type based on ccd pdbx_type. + + Args: + atom_array (AtomArray): Biotite AtomArray object. + sequences (dict[str, str]): A dict of label_entity_id --> canonical_sequence + + Return + AtomArray: add atom_arry.mol_type = "protein" | "rna" | "dna" | "ligand" + """ + mol_types = np.zeros(len(atom_array), dtype="U7") + starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + for start, stop in zip(starts[:-1], starts[1:]): + entity_id = atom_array.label_entity_id[start] + if entity_id not in sequences: + # non-poly is ligand + mol_types[start:stop] = "ligand" + continue + res_name = atom_array.res_name[start] + + mol_types[start:stop] = ccd.get_mol_type(res_name) + + atom_array.set_annotation("mol_type", mol_types) + return atom_array + + @staticmethod + def add_atom_mol_type_mask(atom_array: AtomArray) -> AtomArray: + """ + Mask indicates is_protein / rna / dna / ligand. + It is atom-level which is different with paper (token-level). + The type of each atom is determined based on the most frequently + occurring type in the chain to which it belongs. + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with + "is_ligand", "is_dna", "is_rna", "is_protein" annotation added. + """ + # it should be called after mmcif_parser.add_token_mol_type + chain_starts = struc.get_chain_starts(atom_array, add_exclusive_stop=True) + chain_mol_type = [] + for start, end in zip(chain_starts[:-1], chain_starts[1:]): + mol_types = atom_array.mol_type[start:end] + mol_type_count = Counter(mol_types) + most_freq_mol_type = max(mol_type_count, key=mol_type_count.get) + chain_mol_type.extend([most_freq_mol_type] * (end - start)) + atom_array.set_annotation("chain_mol_type", chain_mol_type) + + for type_str in ["ligand", "dna", "rna", "protein"]: + mask = (atom_array.chain_mol_type == type_str).astype(int) + atom_array.set_annotation(f"is_{type_str}", mask) + return atom_array + + @staticmethod + def add_modified_res_mask(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI Chapter 5.9.3 + + Determine if an atom belongs to a modified residue, + which is used to calculate the Modified Residue Scores in sample ranking: + Modified residue scores are ranked according to the average pLDDT of the modified residue. + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with + "modified_res_mask" annotation added. + """ + modified_res_mask = [] + starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + for start, stop in zip(starts[:-1], starts[1:]): + res_name = atom_array.res_name[start] + mol_type = atom_array.mol_type[start] + res_atom_nums = stop - start + if res_name not in STD_RESIDUES and mol_type != "ligand": + modified_res_mask.extend([1] * res_atom_nums) + else: + modified_res_mask.extend([0] * res_atom_nums) + atom_array.set_annotation("modified_res_mask", modified_res_mask) + return atom_array + + @staticmethod + def add_centre_atom_mask(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI Chapter 2.6 + • A standard amino acid residue (Table 13) is represented as a single token. + • A standard nucleotide residue (Table 13) is represented as a single token. + • A modified amino acid or nucleotide residue is tokenized per-atom (i.e. N tokens for an N-atom residue) + • All ligands are tokenized per-atom + For each token we also designate a token centre atom, used in various places below: + • Cα for standard amino acids + • C1′ for standard nucleotides + • For other cases take the first and only atom as they are tokenized per-atom. + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with "centre_atom_mask" annotation added. + """ + res_name = list(STD_RESIDUES.keys()) + std_res = np.isin(atom_array.res_name, res_name) & ( + atom_array.mol_type != "ligand" + ) + prot_res = np.char.str_len(atom_array.res_name) == 3 + prot_centre_atom = prot_res & (atom_array.atom_name == "CA") + nuc_centre_atom = (~prot_res) & (atom_array.atom_name == r"C1'") + not_std_res = ~std_res + centre_atom_mask = ( + std_res & (prot_centre_atom | nuc_centre_atom) + ) | not_std_res + centre_atom_mask = centre_atom_mask.astype(int) + atom_array.set_annotation("centre_atom_mask", centre_atom_mask) + return atom_array + + @staticmethod + def add_distogram_rep_atom_mask(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI Chapter 4.4 + the representative atom mask for each token for distogram head + • Cβ for protein residues (Cα for glycine), + • C4 for purines and C2 for pyrimidines. + • All ligands already have a single atom per token. + + Due to the lack of explanation regarding the handling of "N" and "DN" in the article, + it is impossible to determine the representative atom based on whether it is a purine or pyrimidine. + Therefore, C1' is chosen as the representative atom for both "N" and "DN". + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with "distogram_rep_atom_mask" annotation added. + """ + std_res = np.isin(atom_array.res_name, list(STD_RESIDUES.keys())) & ( + atom_array.mol_type != "ligand" + ) + + # for protein std res + std_prot_res = std_res & (np.char.str_len(atom_array.res_name) == 3) + gly = atom_array.res_name == "GLY" + prot_cb = std_prot_res & (~gly) & (atom_array.atom_name == "CB") + prot_gly_ca = gly & (atom_array.atom_name == "CA") + + # for nucleotide std res + purines_c4 = np.isin(atom_array.res_name, ["DA", "DG", "A", "G"]) & ( + atom_array.atom_name == "C4" + ) + pyrimidines_c2 = np.isin(atom_array.res_name, ["DC", "DT", "C", "U"]) & ( + atom_array.atom_name == "C2" + ) + + # for nucleotide unk res + unk_nuc = np.isin(atom_array.res_name, ["DN", "N"]) & ( + atom_array.atom_name == r"C1'" + ) + + distogram_rep_atom_mask = ( + prot_cb | prot_gly_ca | purines_c4 | pyrimidines_c2 | unk_nuc + ) | (~std_res) + distogram_rep_atom_mask = distogram_rep_atom_mask.astype(int) + + atom_array.set_annotation("distogram_rep_atom_mask", distogram_rep_atom_mask) + + assert np.sum(atom_array.distogram_rep_atom_mask) == np.sum( + atom_array.centre_atom_mask + ) + + return atom_array + + @staticmethod + def add_plddt_m_rep_atom_mask(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI Chapter 4.3.1 + the representative atom for plddt loss + • Atoms such that the distance in the ground truth between atom l and atom m is less than 15 Å + if m is a protein atom or less than 30 Å if m is a nucleic acid atom. + • Only atoms in polymer chains. + • One atom per token - Cα for standard protein residues + and C1′ for standard nucleic acid residues. + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with "plddt_m_rep_atom_mask" annotation added. + """ + std_res = np.isin(atom_array.res_name, list(STD_RESIDUES.keys())) & ( + atom_array.mol_type != "ligand" + ) + ca_or_c1 = (atom_array.atom_name == "CA") | (atom_array.atom_name == r"C1'") + plddt_m_rep_atom_mask = (std_res & ca_or_c1).astype(int) + atom_array.set_annotation("plddt_m_rep_atom_mask", plddt_m_rep_atom_mask) + return atom_array + + @staticmethod + def add_ref_space_uid(atom_array: AtomArray) -> AtomArray: + """ + Ref: AlphaFold3 SI Chapter 2.8 Table 5 + Numerical encoding of the chain id and residue index associated with this reference conformer. + Each (chain id, residue index) tuple is assigned an integer on first appearance. + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with "ref_space_uid" annotation added. + """ + # [N_atom, 2] + chain_res_id = np.vstack((atom_array.asym_id_int, atom_array.res_id)).T + unique_id = np.unique(chain_res_id, axis=0) + + mapping_dict = {} + for idx, chain_res_id_pair in enumerate(unique_id): + asym_id_int, res_id = chain_res_id_pair + mapping_dict[(asym_id_int, res_id)] = idx + + ref_space_uid = [ + mapping_dict[(asym_id_int, res_id)] for asym_id_int, res_id in chain_res_id + ] + atom_array.set_annotation("ref_space_uid", ref_space_uid) + return atom_array + + @staticmethod + def add_cano_seq_resname(atom_array: AtomArray) -> AtomArray: + """ + Assign to each atom the three-letter residue name (resname) + corresponding to its place in the canonical sequences. + Non-standard residues are mapped to standard ones. + Residues that cannot be mapped to standard residues and ligands are all labeled as "UNK". + + Note: Some CCD Codes in the canonical sequence are mapped to three letters. It is labeled as one "UNK". + + Args: + atom_array (AtomArray): Biotite AtomArray object + + Returns: + AtomArray: Biotite AtomArray object with "cano_seq_resname" annotation added. + """ + cano_seq_resname = [] + starts = struc.get_residue_starts(atom_array, add_exclusive_stop=True) + for start, stop in zip(starts[:-1], starts[1:]): + res_atom_nums = stop - start + mol_type = atom_array.mol_type[start] + resname = atom_array.res_name[start] + + one_letter_code = ccd.get_one_letter_code(resname) + if one_letter_code is None or len(one_letter_code) != 1: + # Some non-standard residues cannot be mapped back to one standard residue. + one_letter_code = "X" if mol_type == "protein" else "N" + + if mol_type == "protein": + res_name_in_cano_seq = PROT_STD_RESIDUES_ONE_TO_THREE.get( + one_letter_code, "UNK" + ) + elif mol_type == "dna": + res_name_in_cano_seq = "D" + one_letter_code + if res_name_in_cano_seq not in DNA_STD_RESIDUES: + res_name_in_cano_seq = "DN" + elif mol_type == "rna": + res_name_in_cano_seq = one_letter_code + if res_name_in_cano_seq not in RNA_STD_RESIDUES: + res_name_in_cano_seq = "N" + else: + # some molecules attached to a polymer like ATP-RNA. e.g. + res_name_in_cano_seq = "UNK" + + cano_seq_resname.extend([res_name_in_cano_seq] * res_atom_nums) + + atom_array.set_annotation("cano_seq_resname", cano_seq_resname) + return atom_array + + @staticmethod + def remove_bonds_between_polymer_chains( + atom_array: AtomArray, entity_poly_type: dict[str, str] + ) -> struc.BondList: + """ + Remove bonds between polymer chains based on entity_poly_type + + Args: + atom_array (AtomArray): Biotite AtomArray object + entity_poly_type (dict[str, str]): entity_id to poly_type + + Returns: + BondList: Biotite BondList object (copy) with bonds between polymer chains removed + """ + copy = atom_array.bonds.copy() + polymer_mask = np.isin( + atom_array.label_entity_id, list(entity_poly_type.keys()) + ) + i = copy._bonds[:, 0] + j = copy._bonds[:, 1] + pp_bond_mask = polymer_mask[i] & polymer_mask[j] + diff_chain_mask = atom_array.chain_id[i] != atom_array.chain_id[j] + pp_bond_mask = pp_bond_mask & diff_chain_mask + copy._bonds = copy._bonds[~pp_bond_mask] + + # post-process after modified bonds manually + # due to the extraction of bonds using a mask, the lower one of the two atom indices is still in the first + copy._remove_redundant_bonds() + copy._max_bonds_per_atom = copy._get_max_bonds_per_atom() + return copy + + @staticmethod + def find_equiv_mol_and_assign_ids( + atom_array: AtomArray, + entity_poly_type: Optional[dict[str, str]] = None, + check_final_equiv: bool = True, + ) -> AtomArray: + """ + Assign a unique integer to each molecule in the structure. + All atoms connected by covalent bonds are considered as a molecule, with unique mol_id (int). + different copies of same molecule will assign same entity_mol_id (int). + for each mol, assign mol_atom_index starting from 0. + + Args: + atom_array (AtomArray): Biotite AtomArray object + entity_poly_type (Optional[dict[str, str]]): label_entity_id to entity.poly_type. + Defaults to None. + check_final_equiv (bool, optional): check if the final mol_ids of same entity_mol_id are all equivalent. + + Returns: + AtomArray: Biotite AtomArray object with new annotations + - mol_id: atoms with covalent bonds connected, 0-based int + - entity_mol_id: equivalent molecules will assign same entity_mol_id, 0-based int + - mol_residue_index: mol_atom_index for each mol, 0-based int + """ + # Re-assign mol_id to AtomArray after break asym bonds + if entity_poly_type is None: + mol_indices: list[np.ndarray] = get_molecule_indices(atom_array) + else: + bonds_filtered = AddAtomArrayAnnot.remove_bonds_between_polymer_chains( + atom_array, entity_poly_type + ) + mol_indices: list[np.ndarray] = get_molecule_indices(bonds_filtered) + + # assign mol_id + mol_ids = np.array([-1] * len(atom_array), dtype=np.int32) + for mol_id, atom_indices in enumerate(mol_indices): + mol_ids[atom_indices] = mol_id + atom_array.set_annotation("mol_id", mol_ids) + + assert ~np.isin(-1, atom_array.mol_id), "Some mol_id is not assigned." + assert len(np.unique(atom_array.mol_id)) == len( + mol_indices + ), "Some mol_id is duplicated." + + # assign entity_mol_id + # -------------------- + # first atom of mol with infos in attrubites, eg: info.num_atoms, info.bonds, ... + ref_mol_infos = [] + # perm for keep multiple chains in one mol are together and in same chain order + new_atom_perm = [] + chain_starts = struc.get_chain_starts(atom_array, add_exclusive_stop=False) + entity_mol_ids = np.zeros_like(mol_ids) + for mol_id, atom_indices in enumerate(mol_indices): + atom_indices = np.sort(atom_indices) + # keep multiple chains-mol has same chain order in different copies + chain_perm = np.argsort( + atom_array.label_entity_id[atom_indices], kind="stable" + ) + atom_indices = atom_indices[chain_perm] + # save indices for finally re-ordering atom_array + new_atom_perm.extend(atom_indices) + + # check mol equal, keep chain order consistent with atom_indices + mol_chain_mask = np.isin(atom_indices, chain_starts) + entity_ids = atom_array.label_entity_id[atom_indices][ + mol_chain_mask + ].tolist() + + match_entity_mol_id = None + for entity_mol_id, mol_info in enumerate(ref_mol_infos): + # check mol equal + # same entity_ids and same atom name will assign same entity_mol_id + if entity_ids != mol_info.entity_ids: + continue + + if len(atom_indices) != len(mol_info.atom_name): + continue + + atom_name_not_equal = ( + atom_array.atom_name[atom_indices] != mol_info.atom_name + ) + if np.any(atom_name_not_equal): + diff_indices = np.where(atom_name_not_equal)[0] + query_atom = atom_array[atom_indices[diff_indices[0]]] + ref_atom = atom_array[mol_info.atom_indices[diff_indices[0]]] + logger.warning( + f"Two mols have entity_ids and same number of atoms, but diff atom name:\n{query_atom=}\n{ ref_atom=}" + ) + continue + + # pass all checks, it is a match + match_entity_mol_id = entity_mol_id + break + + if match_entity_mol_id is None: # not found match mol + # use first atom as a placeholder for mol info. + mol_info = atom_array[atom_indices[0]] + mol_info.atom_indices = atom_indices + mol_info.entity_ids = entity_ids + mol_info.atom_name = atom_array.atom_name[atom_indices] + mol_info.entity_mol_id = len(ref_mol_infos) + ref_mol_infos.append(mol_info) + match_entity_mol_id = mol_info.entity_mol_id + + entity_mol_ids[atom_indices] = match_entity_mol_id + + atom_array.set_annotation("entity_mol_id", entity_mol_ids) + + # re-order atom_array to make atoms with same mol_id together. + atom_array = atom_array[new_atom_perm] + + # assign mol_atom_index + mol_starts = get_starts_by( + atom_array, by_annot="mol_id", add_exclusive_stop=True + ) + mol_atom_index = np.zeros_like(atom_array.mol_id, dtype=np.int32) + for start, stop in zip(mol_starts[:-1], mol_starts[1:]): + mol_atom_index[start:stop] = np.arange(stop - start) + atom_array.set_annotation("mol_atom_index", mol_atom_index) + + # check mol equivalence again + if check_final_equiv: + num_mols = len(mol_starts) - 1 + for i in range(num_mols): + for j in range(i + 1, num_mols): + start_i, stop_i = mol_starts[i], mol_starts[i + 1] + start_j, stop_j = mol_starts[j], mol_starts[j + 1] + if ( + atom_array.entity_mol_id[start_i] + != atom_array.entity_mol_id[start_j] + ): + continue + for key in ["res_name", "atom_name", "mol_atom_index"]: + # not check res_id for ligand may have different res_id + annot = getattr(atom_array, key) + assert np.all( + annot[start_i:stop_i] == annot[start_j:stop_j] + ), f"not equal {key} when find_equiv_mol_and_assign_ids()" + + return atom_array + + @staticmethod + def add_tokatom_idx(atom_array: AtomArray) -> AtomArray: + """ + Add a tokatom_idx corresponding to the residue and atom name for each atom. + For non-standard residues or ligands, the tokatom_idx should be set to 0. + + Parameters: + atom_array (AtomArray): The AtomArray object to which the annotation will be added. + + Returns: + AtomArray: The AtomArray object with the 'tokatom_idx' annotation added. + """ + # pre-defined atom name order for tokatom_idx + tokatom_idx_list = [] + for atom in atom_array: + atom_name_position = RES_ATOMS_DICT.get(atom.res_name, None) + if atom.mol_type == "ligand" or atom_name_position is None: + tokatom_idx = 0 + else: + tokatom_idx = atom_name_position[atom.atom_name] + tokatom_idx_list.append(tokatom_idx) + atom_array.set_annotation("tokatom_idx", tokatom_idx_list) + return atom_array + + @staticmethod + def add_mol_id(atom_array: AtomArray) -> AtomArray: + """ + Assign a unique integer to each molecule in the structure. + + Args: + atom_array (AtomArray): Biotite AtomArray object + Returns: + AtomArray: Biotite AtomArray object with new annotations + - mol_id: atoms with covalent bonds connected, 0-based int + """ + mol_indices = get_molecule_indices(atom_array) + + # assign mol_id + mol_ids = np.array([-1] * len(atom_array), dtype=np.int32) + for mol_id, atom_indices in enumerate(mol_indices): + mol_ids[atom_indices] = mol_id + atom_array.set_annotation("mol_id", mol_ids) + return atom_array + + @staticmethod + def unique_chain_and_add_ids(atom_array: AtomArray) -> AtomArray: + """ + Unique chain ID and add asym_id, entity_id, sym_id. + Adds a number to the chain ID to make chain IDs in the assembly unique. + Example: [A, B, A, B, C] ==> [A0, B0, A1, B1, C0] + + Args: + atom_array (AtomArray): Biotite AtomArray object. + + Returns: + AtomArray: Biotite AtomArray object with new annotations: + - asym_id_int: np.array(int) + - entity_id_int: np.array(int) + - sym_id_int: np.array(int) + """ + entity_id_uniq = np.sort(np.unique(atom_array.label_entity_id)) + entity_id_dict = {e: i for i, e in enumerate(entity_id_uniq)} + asym_ids = np.zeros(len(atom_array), dtype=int) + entity_ids = np.zeros(len(atom_array), dtype=int) + sym_ids = np.zeros(len(atom_array), dtype=int) + chain_ids = np.zeros(len(atom_array), dtype="U4") + counter = Counter() + start_indices = struc.get_chain_starts(atom_array, add_exclusive_stop=True) + for i in range(len(start_indices) - 1): + start_i = start_indices[i] + stop_i = start_indices[i + 1] + asym_ids[start_i:stop_i] = i + + entity_id = atom_array.label_entity_id[start_i] + entity_ids[start_i:stop_i] = entity_id_dict[entity_id] + + sym_ids[start_i:stop_i] = counter[entity_id] + counter[entity_id] += 1 + new_chain_id = f"{atom_array.chain_id[start_i]}{sym_ids[start_i]}" + chain_ids[start_i:stop_i] = new_chain_id + + atom_array.set_annotation("asym_id_int", asym_ids) + atom_array.set_annotation("entity_id_int", entity_ids) + atom_array.set_annotation("sym_id_int", sym_ids) + atom_array.chain_id = chain_ids + return atom_array + + @staticmethod + def add_int_id(atom_array): + """ + Unique chain ID and add asym_id, entity_id, sym_id. + Adds a number to the chain ID to make chain IDs in the assembly unique. + Example: [A, B, A, B, C] ==> [A0, B0, A1, B1, C0] + + Args: + atom_array (AtomArray): Biotite AtomArray object. + + Returns: + AtomArray: Biotite AtomArray object with new annotations: + - asym_id_int: np.array(int) + - entity_id_int: np.array(int) + - sym_id_int: np.array(int) + """ + entity_id_uniq = np.sort(np.unique(atom_array.label_entity_id)) + entity_id_dict = {e: i for i, e in enumerate(entity_id_uniq)} + asym_ids = np.zeros(len(atom_array), dtype=int) + entity_ids = np.zeros(len(atom_array), dtype=int) + sym_ids = np.zeros(len(atom_array), dtype=int) + counter = Counter() + start_indices = struc.get_chain_starts(atom_array, add_exclusive_stop=True) + for i in range(len(start_indices) - 1): + start_i = start_indices[i] + stop_i = start_indices[i + 1] + asym_ids[start_i:stop_i] = i + + entity_id = atom_array.label_entity_id[start_i] + entity_ids[start_i:stop_i] = entity_id_dict[entity_id] + + sym_ids[start_i:stop_i] = counter[entity_id] + counter[entity_id] += 1 + + atom_array.set_annotation("asym_id_int", asym_ids) + atom_array.set_annotation("entity_id_int", entity_ids) + atom_array.set_annotation("sym_id_int", sym_ids) + return atom_array + + @staticmethod + def add_ref_feat_info( + atom_array: AtomArray, + ) -> tuple[np.ndarray, np.ndarray, list[int]]: + """ + Get info of reference structure of atoms based on the atom array. + + Args: + atom_array (AtomArray): The atom array. + + Returns: + tuple: + ref_pos (numpy.ndarray): Atom positions in the reference conformer, + with a random rotation and translation applied. + Atom positions are given in Å. Shape=(num_atom, 3). + ref_charge (numpy.ndarray): Charge for each atom in the reference conformer. Shape=(num_atom） + ref_mask ((numpy.ndarray): Mask indicating which atom slots are used in the reference conformer. Shape=(num_atom） + """ + info_dict = {} + for ccd_id in np.unique(atom_array.res_name): + # create ref conformer for each CCD ID + ref_result = get_ccd_ref_info(ccd_id) + if ref_result: + for space_uid in np.unique( + atom_array[atom_array.res_name == ccd_id].ref_space_uid + ): + if ref_result: + info_dict[space_uid] = [ + ref_result["atom_map"], + ref_result["coord"], + ref_result["charge"], + ref_result["mask"], + ] + else: + # get conformer failed will result in an empty dictionary + continue + + ref_mask = [] # [N_atom] + ref_pos = [] # [N_atom, 3] + ref_charge = [] # [N_atom] + for atom in atom_array: + ref_result = info_dict.get(atom.ref_space_uid) + if ref_result is None: + # get conformer failed + ref_mask.append(0) + ref_pos.append([0.0, 0.0, 0.0]) + ref_charge.append(0) + + else: + atom_map, coord, charge, mask = ref_result + atom_sub_idx = atom_map[atom.atom_name] + ref_mask.append(mask[atom_sub_idx]) + ref_pos.append(coord[atom_sub_idx]) + ref_charge.append(charge[atom_sub_idx]) + + ref_pos = np.array(ref_pos) + ref_charge = np.array(ref_charge).astype(int) + ref_mask = np.array(ref_mask).astype(int) + return ref_pos, ref_charge, ref_mask + + @staticmethod + def add_res_perm( + atom_array: AtomArray, + ) -> tuple[np.ndarray, np.ndarray, list[int]]: + """ + Get permutations of each atom within the residue. + + Args: + atom_array (AtomArray): biotite AtomArray object. + + Returns: + list[list[int]]: 2D list of (N_atom, N_perm) + """ + starts = get_residue_starts(atom_array, add_exclusive_stop=True) + res_perm = [] + for start, stop in zip(starts[:-1], starts[1:]): + res_atom = atom_array[start:stop] + curr_res_atom_idx = list(range(len(res_atom))) + + res_dict = get_ccd_ref_info(ccd_code=res_atom.res_name[0]) + if not res_dict: + res_perm.extend([[i] for i in curr_res_atom_idx]) + continue + + perm_array = res_dict["perm"] # [N_atoms, N_perm] + perm_atom_idx_in_res_order = [ + res_dict["atom_map"][i] for i in res_atom.atom_name + ] + perm_idx_to_present_atom_idx = dict( + zip(perm_atom_idx_in_res_order, curr_res_atom_idx) + ) + + precent_row_mask = np.isin(perm_array[:, 0], perm_atom_idx_in_res_order) + perm_array_row_filtered = perm_array[precent_row_mask] + + precent_col_mask = np.isin( + perm_array_row_filtered, perm_atom_idx_in_res_order + ).all(axis=0) + perm_array_filtered = perm_array_row_filtered[:, precent_col_mask] + + # replace the elem in new_perm_array according to the perm_idx_to_present_atom_idx dict + new_perm_array = np.vectorize(perm_idx_to_present_atom_idx.get)( + perm_array_filtered + ) + + assert ( + new_perm_array.shape[1] <= 1000 + and new_perm_array.shape[1] <= perm_array.shape[1] + ) + res_perm.extend(new_perm_array.tolist()) + return res_perm + + @staticmethod + def add_ref_info_and_res_perm(atom_array: AtomArray) -> AtomArray: + """ + Add info of reference structure of atoms to the atom array. + + Args: + atom_array (AtomArray): The atom array. + + Returns: + AtomArray: The atom array with the 'ref_pos', 'ref_charge', 'ref_mask', 'res_perm' annotations added. + """ + ref_pos, ref_charge, ref_mask = AddAtomArrayAnnot.add_ref_feat_info(atom_array) + res_perm = AddAtomArrayAnnot.add_res_perm(atom_array) + + str_res_perm = [] # encode [N_atom, N_perm] -> list[str] + for i in res_perm: + str_res_perm.append("_".join([str(j) for j in i])) + + assert ( + len(atom_array) + == len(ref_pos) + == len(ref_charge) + == len(ref_mask) + == len(res_perm) + ), f"{len(atom_array)=}, {len(ref_pos)=}, {len(ref_charge)=}, {len(ref_mask)=}, {len(str_res_perm)=}" + + atom_array.set_annotation("ref_pos", ref_pos) + atom_array.set_annotation("ref_charge", ref_charge) + atom_array.set_annotation("ref_mask", ref_mask) + atom_array.set_annotation("res_perm", str_res_perm) + return atom_array diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/substructure_perms.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/substructure_perms.py new file mode 100644 index 0000000000000000000000000000000000000000..9425a5cd97c12d077a8699cd4607c60a5a51018a --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/substructure_perms.py @@ -0,0 +1,257 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import itertools +from collections import defaultdict + +import numpy as np +from rdkit import Chem + + +def neutralize_atoms(mol: Chem.Mol): + pattern = Chem.MolFromSmarts( + "[+1!h0!$([*]~[-1,-2,-3,-4]),-1!#4!#5!$([*]~[+1,+2,+3,+4])]" + ) + at_matches = mol.GetSubstructMatches(pattern) + at_matches_list = [y[0] for y in at_matches] + if len(at_matches_list) > 0: + for at_idx in at_matches_list: + atom = mol.GetAtomWithIdx(at_idx) + chg = atom.GetFormalCharge() + hcount = atom.GetTotalNumHs() + atom.SetFormalCharge(0) + atom.SetNumExplicitHs(hcount - chg) + atom.UpdatePropertyCache() + return mol + + +def recursive_permutation(atom_inds, permutation_list, res): + def _permute_atom_ind(atom_inds, permutation): + # atom_inds: list of atom (positional) indices + # permutation: values to be permutated in the given order + permute_inds = [i for i, a in enumerate(atom_inds) if a in permutation] + for i, perm_ind in enumerate(permute_inds): + atom_inds[perm_ind] = permutation[i] + return atom_inds + + if len(permutation_list) == 0: + res.append(atom_inds) + else: + current_permutation_list = permutation_list.copy() + for permutation in current_permutation_list.pop(0): + atom_inds_permed = _permute_atom_ind(atom_inds.copy(), permutation) + recursive_permutation(atom_inds_permed, current_permutation_list, res) + + +def augment_atom_maps_with_conjugate_terminal_groups( + original_maps, atomic_number_mapping, terminal_group_tuples, MaxMatches=1e6 +): + """ + Augment atom maps from GetSubstructMatches with extra symmetry from confjugated terminal groups. + Parameters + -------------- + original_maps: Tuple(Tuples), all possible atom index mappings, note we require that the mappings should range from 0 to n_heavy_atom-1 (a.k.a. no gap in indexing) + atomic_number_mapping: dict, mapping from atom (positional) indices to its atomic numbers, for splitting/removing different types of atoms in each terminal group + terminal_group_tuples: Tuple(Tuples), a group of pair of atoms whose bonds match the SMARTS string. Ex: ((0, 1), (2, 1), (10, 9), (11, 9), (12, 9), (14, 13), (15, 13)) + MaxMatches: int, cutoff for total number of matches (n_original_perm * n_conjugate perm) + + Returns + -------------- + augmented_maps: Tuple(Tuples) , original_maps augmented by muliplying the permutations induced by terminal_group_tuples. + """ + + def _terminal_atom_cluster_from_pairs(edges): + graph = defaultdict(set) + for u, v in edges: + graph[u].add(v) + graph[v].add(u) + return graph + + def _split_sets_by_mapped_values(list_of_sets, mapping): + result = [] + for s in list_of_sets: + mapped_sets = {} + for elem in s: + mapped_value = mapping.get(elem) + if mapped_value not in mapped_sets: + mapped_sets[mapped_value] = set() + mapped_sets[mapped_value].add(elem) + result.extend(mapped_sets.values()) + return result + + # group terminal group tuples with common atom_indices: [{0, 2}, {10, 11, 12}, {14, 15}] + terminal_atom_clusters = _terminal_atom_cluster_from_pairs(terminal_group_tuples) + MaxTerminalGroups = max( + 1, int(np.ceil(np.emath.logn(3, MaxMatches / len(original_maps)))) + ) + # if MaxTerminalGroups is less than the total number terminal groups, sample the first {MaxTerminalGroups} groups (to remove randomness) + + perm_groups = sorted( + [ + atom_inds + for common_id, atom_inds in terminal_atom_clusters.items() + if len(atom_inds) > 1 + ] + )[: min(MaxTerminalGroups, len(terminal_atom_clusters))] + + # within each terminal group, if there are different atom types, split by atom type (if only one left, discard) + perm_groups = _split_sets_by_mapped_values(perm_groups, atomic_number_mapping) + perm_groups = [p for p in perm_groups if len(p) > 1] + + # all permutations according to symmetric conjugate terminal atoms: [[(0, 2), (2, 0)], [(10, 11, 12), (10, 12, 11), (11, 10, 12), (11, 12, 10), (12, 10, 11), (12, 11, 10)], [(14, 15), (15, 14)]] + perm_groups = [sorted(list(itertools.permutations(g))) for g in perm_groups] + + # recursively permute the original mappings + augmented_maps = [] + for initial_mapping in original_maps: + recursive_permutation(list(initial_mapping), perm_groups, augmented_maps) + + # Convert to the same data type as in original_maps + augmented_maps = tuple(tuple(a) for a in augmented_maps) + # Remove duplicates: original_maps might have already permutated some of the conjugate_terminal group indices + return tuple(set(augmented_maps)) + + +def _get_substructure_perms( + mol: Chem.Mol, + Neutralize: bool = False, + CheckStereochem: bool = True, + SymmetrizeConjugatedTerminal: bool = True, + MaxMatches: int = 512, +) -> np.ndarray: + """ + Args: + CheckStereochem: whether to assure stereochem does not change after permutation + Neutralize: if true, neutralize the mol before computing the permutations + SymmetrizeConjugatedTerminal: if true, consider symmetrization of conjugated terminal groups + MaxMatches: int, cutoff for total number of matches + + return shape=[num_perms, num_atoms] + """ + ori_idx_w_h = [] + for atom in mol.GetAtoms(): + atom.SetProp("ori_idx_w_h", str(atom.GetIdx())) + ori_idx_w_h.append(atom.GetIdx()) + + # Attention !!! + # Remove Hs; Otherwise, there will be too many matches. + mol = Chem.RemoveHs(mol) + if Neutralize: + mol = neutralize_atoms(mol) + + # Get substructure matches + base_perms = np.array( + mol.GetSubstructMatches(mol, uniquify=False, maxMatches=MaxMatches) + ) + assert len(base_perms) > 0, "no matches found, error" + # Check stereochem + if CheckStereochem: + chem_order = np.array( + list(Chem.rdmolfiles.CanonicalRankAtoms(mol, breakTies=False)) + ) + perms_mask = (chem_order[base_perms] == chem_order[None]).sum( + -1 + ) == mol.GetNumAtoms() + base_perms = base_perms[perms_mask] + + # Add terminal conjugate groups + sma = "[O,N;D1;$([O,N;D1]-[*]=[O,N;D1]),$([O,N;D1]=[*]-[O,N;D1])]~[*]" + patt = Chem.MolFromSmarts(sma) + terminal_group_tuples = mol.GetSubstructMatches(patt) + if ( + len(terminal_group_tuples) > 0 and SymmetrizeConjugatedTerminal + ): # Only augment if there exist conjugate pairs or if user sets to + atomic_number_mapping = { + i: atom.GetAtomicNum() for i, atom in enumerate(mol.GetAtoms()) + } + base_perms = augment_atom_maps_with_conjugate_terminal_groups( + tuple(tuple(a) for a in base_perms), + atomic_number_mapping, + terminal_group_tuples, + MaxMatches, + ) + base_perms = np.array(base_perms) + + if len(base_perms) > MaxMatches: + base_perms = base_perms[:MaxMatches] + + new_to_ori_idx_map = {} + ori_to_new_idx_map = {} + for atom in mol.GetAtoms(): + ori_idx = int(atom.GetProp("ori_idx_w_h")) + new_idx = atom.GetIdx() + new_to_ori_idx_map[new_idx] = ori_idx + ori_to_new_idx_map[ori_idx] = new_idx + + base_perms = np.vectorize(new_to_ori_idx_map.get)(base_perms) + perms = np.zeros(shape=(base_perms.shape[0], len(ori_idx_w_h))) + for i in range(len(ori_idx_w_h)): + if i in ori_to_new_idx_map: + perms[:, i] = base_perms[:, ori_to_new_idx_map[i]] + else: + # The position of the H atom will not be exchanged. + perms[:, i] = i + return perms + + +def get_substructure_perms( + mol: Chem.Mol, + CheckStereochem: bool = True, + SymmetrizeConjugatedTerminal: bool = True, + MaxMatches: int = 512, + KeepProtonation: bool = False, +) -> np.ndarray: + kwargs = { + "CheckStereochem": CheckStereochem, + "SymmetrizeConjugatedTerminal": SymmetrizeConjugatedTerminal, + "MaxMatches": MaxMatches, + } + + if KeepProtonation: + perms = _get_substructure_perms(mol, Neutralize=False, **kwargs) + else: + # Have to deuplicate permutations across the two protonation states + perms = np.unique( + np.row_stack( + ( + _get_substructure_perms(mol, Neutralize=False, **kwargs), + _get_substructure_perms(mol, Neutralize=True, **kwargs), + ) + ), + axis=0, + ) + + nperm = len(perms) + if nperm > MaxMatches: + perms = perms[np.random.choice(range(nperm), MaxMatches, replace=False)] + return perms + + +def test(): + testcases = [ + "C1=CC=CC=C1", + "CC(=O)OC1=CC=CC=C1C(=O)O", + "C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C", + "CN1C=NC2=C1C(=O)N(C(=O)N2C)C", + ] + for smiles in testcases: + print(smiles) + molecule = Chem.MolFromSmiles(smiles) + perms = get_substructure_perms(molecule) + print(perms.shape) + print(perms.T) + + +if __name__ == "__main__": + test() diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/tokenizer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/tokenizer.py new file mode 100644 index 0000000000000000000000000000000000000000..ad4cf98c3edca46a021fd34338e89f6cca510469 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/tokenizer.py @@ -0,0 +1,196 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import biotite.structure as struc +import numpy as np +from biotite.structure import AtomArray + +from protenix.data.constants import ELEMS, STD_RESIDUES + + +class Token(object): + """ + Used to store information related to Tokens. + + Example: + >>> token = Token(1) + >>> token.value + 1 + >>> token.atom_indices = [1, 2, 3] + """ + + def __init__(self, value, **kwargs): + self.value = value + self._annot = {} + for name, annotation in kwargs.items(): + self._annot[name] = annotation + + def __getattr__(self, attr): + if attr in super().__getattribute__("_annot"): + return self._annot[attr] + else: + raise AttributeError( + f"'{type(self).__name__}' object has no attribute '{attr}'" + ) + + def __repr__(self): + annot_lst = [] + for k, v in self._annot.items(): + annot_lst.append(f"{k}={v}") + return f'Token({self.value}, {",".join(annot_lst)})' + + def __setattr__(self, attr, value): + if attr == "_annot": + super().__setattr__(attr, value) + elif attr == "value": + super().__setattr__(attr, value) + else: + self._annot[attr] = value + + +class TokenArray(object): + """ + A group of Token objects used for batch operations. + """ + + def __init__(self, tokens: list[Token]): + self.tokens = tokens + + def __repr__(self): + repr_str = "TokenArray(\n" + for token in self.tokens: + repr_str += f"\t{token}\n" + repr_str += ")" + return repr_str + + def __len__(self): + return len(self.tokens) + + def __iter__(self): + for token in self.tokens: + yield token + + def __getitem__(self, index): + if isinstance(index, int): + return self.tokens[index] + else: + return TokenArray([self.tokens[i] for i in index]) + + def get_annotation(self, category): + return [token._annot[category] for token in self.tokens] + + def set_annotation(self, category, values): + assert len(values) == len( + self.tokens + ), "Length of values must match the number of tokens" + for token, value in zip(self.tokens, values): + token._annot[category] = value + + def get_values(self): + return [token.value for token in self.tokens] + + +class AtomArrayTokenizer(object): + """ + Tokenize an AtomArray object into a list of Token object. + """ + + def __init__(self, atom_array: AtomArray): + self.atom_array = atom_array + + def tokenize(self) -> list[Token]: + """ + Ref: AlphaFold3 SI Chapter 2.6 + Tokenize an AtomArray object into a list of Token object. + + Returns: + list : a list of Token object. + """ + tokens = [] + total_atom_num = 0 + for res in struc.residue_iter(self.atom_array): + atom_num = len(res) + first_atom = res[0] + res_name = first_atom.res_name + mol_type = first_atom.mol_type + res_token = STD_RESIDUES.get(res_name, None) + if res_token is not None and mol_type != "ligand": + # for std residues + token = Token(res_token) + atom_indices = [ + i for i in range(total_atom_num, total_atom_num + atom_num) + ] + atom_names = [self.atom_array[i].atom_name for i in atom_indices] + token.atom_indices = atom_indices + token.atom_names = atom_names + tokens.append(token) + total_atom_num += atom_num + else: + # for ligand and non-std residues + for atom in res: + atom_elem = atom.element + atom_token = ELEMS.get(atom_elem, None) + if atom_token is None: + raise ValueError(f"Unknown atom element: {atom_elem}") + token = Token(atom_token) + token.atom_indices = [total_atom_num] + token.atom_names = [ + self.atom_array[token.atom_indices[0]].atom_name + ] + tokens.append(token) + total_atom_num += 1 + + assert total_atom_num == len(self.atom_array) + return tokens + + def _set_token_annotations(self, token_array: TokenArray) -> TokenArray: + """ + Set annotations for the token_array. + + The annotations include: + - centre_atom_index: the atom indices of the token in the atom array + + Args: + token_array (TokenArray): TokenArray object created by tokenize bioassembly AtomArray. + + Returns: + TokenArray: TokenArray object with annotations. + """ + centre_atom_indices = np.where(self.atom_array.centre_atom_mask == 1)[0] + token_array.set_annotation("centre_atom_index", centre_atom_indices) + assert len(token_array) == len(centre_atom_indices) + return token_array + + def get_token_array(self) -> TokenArray: + """ + Get TokenArray object with annotations (atom_indices, centre_atom_index). + + Returns: + TokenArray: The TokenArray object with annotations. + TokenArray( + Token(1, atom_indices=[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10],centre_atom_index=2, + atom_names=['N', 'CA', 'C', 'O', 'CB', 'CG', 'CD', 'NE', 'CZ', 'NH1', 'NH2']) + Token(15, atom_indices=[11, 12, 13, 14, 15, 16],centre_atom_index=13, + atom_names=['N', 'CA', 'C', 'O', 'CB', 'OG']) + Token(15, atom_indices=[17, 18, 19, 20, 21, 22],centre_atom_index=19, + atom_names=['N', 'CA', 'C', 'O', 'CB', 'OG']) + ) + it satisfy the following format + Token($token_index, atom_indices=[global_atom_indexs], + centre_atom_index=global_atom_indexs,atom_names=[names]) + """ + tokens = self.tokenize() + token_array = TokenArray(tokens=tokens) + token_array = self._set_token_annotations(token_array=token_array) + return token_array diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..61d1c8e574785b63b0ec86f88ee57c24ee222040 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/data/utils.py @@ -0,0 +1,675 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import copy +import os +import re +from collections import defaultdict +from typing import Mapping, Sequence + +import biotite.structure as struc +import numpy as np +import torch +from biotite.structure import AtomArray +from biotite.structure.io import pdbx +from biotite.structure.io.pdb import PDBFile + +from protenix.data.constants import DNA_STD_RESIDUES, PRO_STD_RESIDUES, RNA_STD_RESIDUES + + +def remove_numbers(s: str) -> str: + """ + Remove numbers from a string. + + Args: + s (str): input string + + Returns: + str: a string with numbers removed. + """ + return re.sub(r"\d+", "", s) + + +def int_to_letters(n: int) -> str: + """ + Convert int to letters. + Useful for converting chain index to label_asym_id. + + Args: + n (int): int number + Returns: + str: letters. e.g. 1 -> A, 2 -> B, 27 -> AA, 28 -> AB + """ + result = "" + while n > 0: + n, remainder = divmod(n - 1, 26) + result = chr(65 + remainder) + result + return result + + +def get_starts_by( + atom_array: AtomArray, by_annot: str, add_exclusive_stop=False +) -> np.ndarray: + """get start indices by given annotation in an AtomArray + + Args: + atom_array (AtomArray): Biotite AtomArray + by_annot (str): annotation to group by, eg: 'chain_id', 'res_id', 'res_name' + add_exclusive_stop (bool, optional): add exclusive stop (len(atom_array)). Defaults to False. + + Returns: + np.ndarray: start indices of each group, shape = (n,), eg: [0, 10, 20, 30, 40] + """ + annot = getattr(atom_array, by_annot) + # If annotation change, a new start + annot_change_mask = annot[1:] != annot[:-1] + + # Convert mask to indices + # Add 1, to shift the indices from the end of a residue + # to the start of a new residue + starts = np.where(annot_change_mask)[0] + 1 + + # The first start is not included yet -> Insert '[0]' + if add_exclusive_stop: + return np.concatenate(([0], starts, [atom_array.array_length()])) + else: + return np.concatenate(([0], starts)) + + +def get_ligand_polymer_bond_mask( + atom_array: AtomArray, lig_include_ions=False +) -> np.ndarray: + """ + Ref AlphaFold3 SI Chapter 3.7.1. + Get bonds between the bonded ligand and its parent chain. + + Args: + atom_array (AtomArray): biotite atom array object. + lig_include_ions (bool): whether to include ions in the ligand. + + Returns: + np.ndarray: bond records between the bonded ligand and its parent chain. + e.g. np.array([[atom1, atom2, bond_order]...]) + """ + if not lig_include_ions: + # bonded ligand exclude ions + unique_chain_id, counts = np.unique( + atom_array.label_asym_id, return_counts=True + ) + chain_id_to_count_map = dict(zip(unique_chain_id, counts)) + ions_mask = np.array( + [ + chain_id_to_count_map[label_asym_id] == 1 + for label_asym_id in atom_array.label_asym_id + ] + ) + + lig_mask = (atom_array.mol_type == "ligand") & ~ions_mask + else: + lig_mask = atom_array.mol_type == "ligand" + + # identify polymer by mol_type (protein, rna, dna, ligand) + polymer_mask = np.isin(atom_array.mol_type, ["protein", "rna", "dna"]) + + idx_i = atom_array.bonds._bonds[:, 0] + idx_j = atom_array.bonds._bonds[:, 1] + + lig_polymer_bond_indices = np.where( + (lig_mask[idx_i] & polymer_mask[idx_j]) + | (lig_mask[idx_j] & polymer_mask[idx_i]) + )[0] + if lig_polymer_bond_indices.size == 0: + # no ligand-polymer bonds + lig_polymer_bonds = np.empty((0, 3)).astype(int) + else: + lig_polymer_bonds = atom_array.bonds._bonds[ + lig_polymer_bond_indices + ] # np.array([[atom1, atom2, bond_order]...]) + return lig_polymer_bonds + + +def get_clean_data(atom_array: AtomArray) -> AtomArray: + """ + Removes unresolved atoms from the AtomArray. + + Args: + atom_array (AtomArray): The input AtomArray containing atoms. + + Returns: + AtomArray: A new AtomArray with unresolved atoms removed. + """ + atom_array_wo_unresol = atom_array.copy() + atom_array_wo_unresol = atom_array[atom_array.is_resolved] + return atom_array_wo_unresol + + +def save_atoms_to_cif( + output_cif_file: str, + atom_array: AtomArray, + entity_poly_type: dict[str, str], + pdb_id: str, +) -> None: + """ + Save atom array data to a CIF file. + + Args: + output_cif_file (str): The output path for saving the atom array in CIF format. + atom_array (AtomArray): The atom array to be saved. + entity_poly_type: The entity poly type information. + pdb_id: The PDB ID for the entry. + """ + cifwriter = CIFWriter(atom_array, entity_poly_type) + cifwriter.save_to_cif( + output_path=output_cif_file, + entry_id=pdb_id, + include_bonds=False, + ) + + +def save_structure_cif( + atom_array: AtomArray, + pred_coordinate: torch.Tensor, + output_fpath: str, + entity_poly_type: dict[str, str], + pdb_id: str, +): + """ + Save the predicted structure to a CIF file. + + Args: + atom_array (AtomArray): The original AtomArray containing the structure. + pred_coordinate (torch.Tensor): The predicted coordinates for the structure. + output_fpath (str): The output file path for saving the CIF file. + entity_poly_type (dict[str, str]): The entity poly type information. + pdb_id (str): The PDB ID for the entry. + """ + pred_atom_array = copy.deepcopy(atom_array) + pred_pose = pred_coordinate.cpu().numpy() + pred_atom_array.coord = pred_pose + save_atoms_to_cif( + output_fpath, + pred_atom_array, + entity_poly_type, + pdb_id, + ) + # save pred coordinates wo unresolved atoms + if hasattr(atom_array, "is_resolved"): + pred_atom_array_wo_unresol = get_clean_data(pred_atom_array) + save_atoms_to_cif( + output_fpath.replace(".cif", "_wounresol.cif"), + pred_atom_array_wo_unresol, + entity_poly_type, + pdb_id, + ) + + +class CIFWriter: + """ + Write AtomArray to cif. + """ + + def __init__(self, atom_array: AtomArray, entity_poly_type: dict[str, str] = None): + """ + Args: + atom_array (AtomArray): Biotite AtomArray object. + entity_poly_type (dict[str, str], optional): A dict of label_entity_id to entity_poly_type. Defaults to None. + If None, "the entity_poly" and "entity_poly_seq" will not be written to the cif. + """ + self.atom_array = atom_array + self.entity_poly_type = entity_poly_type + + def _get_entity_poly_and_entity_poly_seq_block(self): + entity_poly = defaultdict(list) + for entity_id, entity_type in self.entity_poly_type.items(): + label_asym_ids = np.unique( + self.atom_array.label_asym_id[ + self.atom_array.label_entity_id == entity_id + ] + ) + label_asym_ids_str = ",".join(label_asym_ids) + + if label_asym_ids_str == "": + # The entity not in current atom_array + continue + + entity_poly["entity_id"].append(entity_id) + entity_poly["pdbx_strand_id"].append(label_asym_ids_str) + entity_poly["type"].append(entity_type) + + entity_poly_seq = defaultdict(list) + for entity_id, label_asym_ids_str in zip( + entity_poly["entity_id"], entity_poly["pdbx_strand_id"] + ): + first_label_asym_id = label_asym_ids_str.split(",")[0] + first_asym_chain = self.atom_array[ + self.atom_array.label_asym_id == first_label_asym_id + ] + chain_starts = struc.get_chain_starts( + first_asym_chain, add_exclusive_stop=True + ) + asym_chain = first_asym_chain[ + chain_starts[0] : chain_starts[1] + ] # ensure the asym chain is a single chain + + res_starts = struc.get_residue_starts(asym_chain, add_exclusive_stop=False) + asym_chain_entity_id = asym_chain[res_starts].label_entity_id.tolist() + asym_chain_hetero = [ + "n" if not i else "y" for i in asym_chain[res_starts].hetero + ] + asym_chain_res_name = asym_chain[res_starts].res_name.tolist() + asym_chain_res_id = asym_chain[res_starts].res_id.tolist() + + entity_poly_seq["entity_id"].extend(asym_chain_entity_id) + entity_poly_seq["hetero"].extend(asym_chain_hetero) + entity_poly_seq["mon_id"].extend(asym_chain_res_name) + entity_poly_seq["num"].extend(asym_chain_res_id) + + block_dict = { + "entity_poly": pdbx.CIFCategory(entity_poly), + "entity_poly_seq": pdbx.CIFCategory(entity_poly_seq), + } + return block_dict + + def save_to_cif( + self, output_path: str, entry_id: str = None, include_bonds: bool = False + ): + """ + Save AtomArray to cif. + + Args: + output_path (str): Output path of cif file. + entry_id (str, optional): The value of "_entry.id" in cif. Defaults to None. + If None, the entry_id will be the basename of output_path (without ".cif" extension). + include_bonds (bool, optional): Whether to include bonds in the cif. Defaults to False. + If set to True and `array` has associated ``bonds`` , the + intra-residue bonds will be written into the ``chem_comp_bond`` + category. + Inter-residue bonds will be written into the ``struct_conn`` + independent of this parameter. + + """ + if entry_id is None: + entry_id = os.path.basename(output_path).replace(".cif", "") + + block_dict = {"entry": pdbx.CIFCategory({"id": entry_id})} + if self.entity_poly_type: + block_dict.update(self._get_entity_poly_and_entity_poly_seq_block()) + + block = pdbx.CIFBlock(block_dict) + cif = pdbx.CIFFile( + { + os.path.basename(output_path).replace(".cif", "") + + "_predicted_by_protenix": block + } + ) + pdbx.set_structure(cif, self.atom_array, include_bonds=include_bonds) + block = cif.block + atom_site = block.get("atom_site") + atom_site["label_entity_id"] = self.atom_array.label_entity_id + cif.write(output_path) + + +def make_dummy_feature( + features_dict: Mapping[str, torch.Tensor], + dummy_feats: Sequence = ["msa"], +) -> dict[str, torch.Tensor]: + num_token = features_dict["token_index"].shape[0] + num_atom = features_dict["atom_to_token_idx"].shape[0] + num_msa = 1 + num_templ = 4 + num_pockets = 30 + feat_shape, _ = get_data_shape_dict( + num_token=num_token, + num_atom=num_atom, + num_msa=num_msa, + num_templ=num_templ, + num_pocket=num_pockets, + ) + for feat_name in dummy_feats: + if feat_name not in ["msa", "template"]: + cur_feat_shape = feat_shape[feat_name] + features_dict[feat_name] = torch.zeros(cur_feat_shape) + if "msa" in dummy_feats: + # features_dict["msa"] = features_dict["restype"].unsqueeze(0) + features_dict["msa"] = torch.nonzero(features_dict["restype"])[:, 1].unsqueeze( + 0 + ) + assert features_dict["msa"].shape == feat_shape["msa"] + features_dict["has_deletion"] = torch.zeros(feat_shape["has_deletion"]) + features_dict["deletion_value"] = torch.zeros(feat_shape["deletion_value"]) + features_dict["profile"] = features_dict["restype"] + assert features_dict["profile"].shape == feat_shape["profile"] + features_dict["deletion_mean"] = torch.zeros(feat_shape["deletion_mean"]) + for key in [ + "prot_pair_num_alignments", + "prot_unpair_num_alignments", + "rna_pair_num_alignments", + "rna_unpair_num_alignments", + ]: + features_dict[key] = torch.tensor(0, dtype=torch.int32) + + if "template" in dummy_feats: + features_dict["template_restype"] = ( + torch.ones(feat_shape["template_restype"]) * 31 + ) # gap + features_dict["template_all_atom_mask"] = torch.zeros( + feat_shape["template_all_atom_mask"] + ) + features_dict["template_all_atom_positions"] = torch.zeros( + feat_shape["template_all_atom_positions"] + ) + return features_dict + + +def data_type_transform( + feat_or_label_dict: Mapping[str, torch.Tensor] +) -> tuple[dict[str, torch.Tensor], dict[str, torch.Tensor], AtomArray]: + for key, value in feat_or_label_dict.items(): + if key in IntDataList: + feat_or_label_dict[key] = value.to(torch.long) + + return feat_or_label_dict + + +# List of "index" or "type" data +# Their data type should be int +IntDataList = [ + "residue_index", + "token_index", + "asym_id", + "entity_id", + "sym_id", + "ref_space_uid", + "template_restype", + "atom_to_token_idx", + "atom_to_tokatom_idx", + "frame_atom_index", + "msa", + "entity_mol_id", + "mol_id", + "mol_atom_index", +] + + +# shape of the data +def get_data_shape_dict(num_token, num_atom, num_msa, num_templ, num_pocket): + """ + Generate a dictionary containing the shapes of all data. + + Args: + num_token (int): Number of tokens. + num_atom (int): Number of atoms. + num_msa (int): Number of MSA sequences. + num_templ (int): Number of templates. + num_pocket (int): Number of pockets to the same interested ligand. + + Returns: + dict: A dictionary containing the shapes of all data. + """ + # Features in AlphaFold3 SI Table5 + feat = { + # Token features + "residue_index": (num_token,), + "token_index": (num_token,), + "asym_id": (num_token,), + "entity_id": (num_token,), + "sym_id": (num_token,), + "restype": (num_token, 32), + # chain permutation features + "entity_mol_id": (num_atom,), + "mol_id": (num_atom,), + "mol_atom_index": (num_atom,), + # Reference features + "ref_pos": (num_atom, 3), + "ref_mask": (num_atom,), + "ref_element": (num_atom, 128), # note: 128 elem in the paper + "ref_charge": (num_atom,), + "ref_atom_name_chars": (num_atom, 4, 64), + "ref_space_uid": (num_atom,), + # Msa features + # "msa": (num_msa, num_token, 32), + "msa": (num_msa, num_token), + "has_deletion": (num_msa, num_token), + "deletion_value": (num_msa, num_token), + "profile": (num_token, 32), + "deletion_mean": (num_token,), + # Template features + "template_restype": (num_templ, num_token), + "template_all_atom_mask": (num_templ, num_token, 37), + "template_all_atom_positions": (num_templ, num_token, 37, 3), + "template_pseudo_beta_mask": (num_templ, num_token), + "template_backbone_frame_mask": (num_templ, num_token), + "template_distogram": (num_templ, num_token, num_token, 39), + "template_unit_vector": (num_templ, num_token, num_token, 3), + # Bond features + "token_bonds": (num_token, num_token), + } + + # Extra features needed + extra_feat = { + # Input features + "atom_to_token_idx": (num_atom,), # after crop + "atom_to_tokatom_idx": (num_atom,), # after crop + "pae_rep_atom_mask": (num_atom,), # same as "pae_rep_atom_mask" in label_dict + "is_distillation": (1,), + } + + # Label + label = { + "coordinate": (num_atom, 3), + "coordinate_mask": (num_atom,), + # "centre_atom_mask": (num_atom,), + # "centre_centre_distance": (num_token, num_token), + # "centre_centre_distance_mask": (num_token, num_token), + "distogram_rep_atom_mask": (num_atom,), + "pae_rep_atom_mask": (num_atom,), + "plddt_m_rep_atom_mask": (num_atom,), + "modified_res_mask": (num_atom,), + "bond_mask": (num_atom, num_atom), + "is_protein": (num_atom,), # Atom level, not token level + "is_rna": (num_atom,), + "is_dna": (num_atom,), + "is_ligand": (num_atom,), + "has_frame": (num_token,), # move to input_feature_dict? + "frame_atom_index": (num_token, 3), # atom index after crop + "resolution": (1,), + # Metrics + "interested_ligand_mask": ( + num_pocket, + num_atom, + ), + "pocket_mask": ( + num_pocket, + num_atom, + ), + } + + # Merged + all_feat = {**feat, **extra_feat} + return all_feat, label + + +def get_lig_lig_bonds( + atom_array: AtomArray, lig_include_ions: bool = False +) -> np.ndarray: + """ + Get all inter-ligand bonds in order to create "token_bonds". + + Args: + atom_array (AtomArray): biotite AtomArray object with "mol_type" attribute. + lig_include_ions (bool, optional): . Defaults to False. + + Returns: + np.ndarray: inter-ligand bonds, e.g. np.array([[atom1, atom2, bond_order]...]) + """ + if not lig_include_ions: + # bonded ligand exclude ions + unique_chain_id, counts = np.unique( + atom_array.label_asym_id, return_counts=True + ) + chain_id_to_count_map = dict(zip(unique_chain_id, counts)) + ions_mask = np.array( + [ + chain_id_to_count_map[label_asym_id] == 1 + for label_asym_id in atom_array.label_asym_id + ] + ) + + lig_mask = (atom_array.mol_type == "ligand") & ~ions_mask + else: + lig_mask = atom_array.mol_type == "ligand" + + chain_res_id = np.vstack((atom_array.label_asym_id, atom_array.res_id)).T + idx_i = atom_array.bonds._bonds[:, 0] + idx_j = atom_array.bonds._bonds[:, 1] + + ligand_ligand_bond_indices = np.where( + (lig_mask[idx_i] & lig_mask[idx_j]) + & np.any(chain_res_id[idx_i] != chain_res_id[idx_j], axis=1) + )[0] + + if ligand_ligand_bond_indices.size == 0: + # no ligand-polymer bonds + lig_polymer_bonds = np.empty((0, 3)).astype(int) + else: + lig_polymer_bonds = atom_array.bonds._bonds[ligand_ligand_bond_indices] + return lig_polymer_bonds + + +def pdb_to_cif(input_fname: str, output_fname: str, entry_id: str = None): + """ + Convert PDB to CIF. + + Args: + input_fname (str): input PDB file name + output_fname (str): output CIF file name + entry_id (str, optional): entry id. Defaults to None. + """ + pdbfile = PDBFile.read(input_fname) + atom_array = pdbfile.get_structure(model=1, include_bonds=True, altloc="first") + + seq_to_entity_id = {} + cnt = 0 + chain_starts = struc.get_chain_starts(atom_array, add_exclusive_stop=True) + + # split chains by hetero + new_chain_starts = [] + for c_start, c_stop in zip(chain_starts[:-1], chain_starts[1:]): + new_chain_starts.append(c_start) + chain_start_hetero = atom_array.hetero[c_start] + hetero_diff = np.where(atom_array.hetero[c_start:c_stop] != chain_start_hetero) + if hetero_diff[0].shape[0] > 0: + new_chain_start = c_start + hetero_diff[0][0] + new_chain_starts.append(new_chain_start) + + new_chain_starts += [chain_starts[-1]] + + # # split HETATM chains by res id + new_chain_starts2 = [] + for c_start, c_stop in zip(new_chain_starts[:-1], new_chain_starts[1:]): + new_chain_starts2.append(c_start) + res_id_diff = np.diff(atom_array.res_id[c_start:c_stop]) + uncont_res_starts = np.where(res_id_diff >= 1) + + if uncont_res_starts[0].shape[0] > 0: + for res_start_atom_idx in uncont_res_starts[0]: + new_chain_start = c_start + res_start_atom_idx + 1 + # atom_array.hetero is True if "HETATM" + if ( + atom_array.hetero[new_chain_start] + and atom_array.hetero[new_chain_start - 1] + ): + new_chain_starts2.append(new_chain_start) + + chain_starts = new_chain_starts2 + [chain_starts[-1]] + + label_entity_id = np.zeros(len(atom_array), dtype=np.int32) + atom_index = np.arange(len(atom_array), dtype=np.int32) + res_id = copy.deepcopy(atom_array.res_id) + + chain_id = copy.deepcopy(atom_array.chain_id) + chain_count = 0 + for c_start, c_stop in zip(chain_starts[:-1], chain_starts[1:]): + chain_count += 1 + new_chain_id = int_to_letters(chain_count) + chain_id[c_start:c_stop] = new_chain_id + + chain_array = atom_array[c_start:c_stop] + residue_starts = struc.get_residue_starts(chain_array, add_exclusive_stop=True) + resname_seq = [name for name in chain_array[residue_starts[:-1]].res_name] + resname_str = "_".join(resname_seq) + if ( + all([name in DNA_STD_RESIDUES for name in resname_seq]) + and resname_str in seq_to_entity_id + ): + resname_seq = resname_seq[::-1] + resname_str = "_".join(resname_seq) + atom_index[c_start:c_stop] = atom_index[c_start:c_stop][::-1] + + if resname_str not in seq_to_entity_id: + cnt += 1 + seq_to_entity_id[resname_str] = cnt + label_entity_id[c_start:c_stop] = seq_to_entity_id[resname_str] + + res_cnt = 1 + for res_start, res_stop in zip(residue_starts[:-1], residue_starts[1:]): + res_id[c_start:c_stop][res_start:res_stop] = res_cnt + res_cnt += 1 + + atom_array = atom_array[atom_index] + + # add label entity id + atom_array.set_annotation("label_entity_id", label_entity_id) + entity_poly_type = {} + for seq, entity_id in seq_to_entity_id.items(): + resname_seq = seq.split("_") + + count = defaultdict(int) + for name in resname_seq: + if name in PRO_STD_RESIDUES: + count["prot"] += 1 + elif name in DNA_STD_RESIDUES: + count["dna"] += 1 + elif name in RNA_STD_RESIDUES: + count["rna"] += 1 + else: + count["other"] += 1 + + if count["prot"] >= 2 and count["dna"] == 0 and count["rna"] == 0: + entity_poly_type[entity_id] = "polypeptide(L)" + elif count["dna"] >= 2 and count["rna"] == 0 and count["prot"] == 0: + entity_poly_type[entity_id] = "polydeoxyribonucleotide" + elif count["rna"] >= 2 and count["dna"] == 0 and count["prot"] == 0: + entity_poly_type[entity_id] = "polyribonucleotide" + else: + # other entity type: ignoring + continue + + # add label atom id + atom_array.set_annotation("label_atom_id", atom_array.atom_name) + + # add label asym id + atom_array.chain_id = chain_id # reset chain_id + atom_array.set_annotation("label_asym_id", atom_array.chain_id) + + # add label seq id + atom_array.res_id = res_id # reset res_id + atom_array.set_annotation("label_seq_id", atom_array.res_id) + + w = CIFWriter(atom_array=atom_array, entity_poly_type=entity_poly_type) + w.save_to_cif( + output_fname, + entry_id=entry_id or os.path.basename(output_fname), + include_bonds=True, + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/clash.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/clash.py new file mode 100644 index 0000000000000000000000000000000000000000..fb998790621e0dad62d1141ad307b2b35866150e --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/clash.py @@ -0,0 +1,272 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import logging +from typing import Optional + +import torch +import torch.nn as nn + +from protenix.data.constants import rdkit_vdws + +RDKIT_VDWS = torch.tensor(rdkit_vdws) +ID2TYPE = {0: "UNK", 1: "lig", 2: "prot", 3: "dna", 4: "rna"} + + +def get_vdw_radii(elements_one_hot): + """get vdw radius for each atom according to their elements""" + element_order = elements_one_hot.argmax(dim=1) + return RDKIT_VDWS.to(element_order.device)[element_order] + + +class Clash(nn.Module): + def __init__( + self, + af3_clash_threshold=1.1, + vdw_clash_threshold=0.75, + compute_af3_clash=True, + compute_vdw_clash=True, + ): + super().__init__() + self.af3_clash_threshold = af3_clash_threshold + self.vdw_clash_threshold = vdw_clash_threshold + self.compute_af3_clash = compute_af3_clash + self.compute_vdw_clash = compute_vdw_clash + + def forward( + self, + pred_coordinate, + asym_id, + atom_to_token_idx, + is_ligand, + is_protein, + is_dna, + is_rna, + mol_id: Optional[torch.Tensor] = None, + elements_one_hot: Optional[torch.Tensor] = None, + ): + chain_info = self.get_chain_info( + asym_id=asym_id, + atom_to_token_idx=atom_to_token_idx, + is_ligand=is_ligand, + is_protein=is_protein, + is_dna=is_dna, + is_rna=is_rna, + mol_id=mol_id, + elements_one_hot=elements_one_hot, + ) + return self._check_clash_per_chain_pairs( + pred_coordinate=pred_coordinate, **chain_info + ) + + def get_chain_info( + self, + asym_id, + atom_to_token_idx, + is_ligand, + is_protein, + is_dna, + is_rna, + mol_id: Optional[torch.Tensor] = None, + elements_one_hot: Optional[torch.Tensor] = None, + ): + # Get chain info + asym_id = asym_id.long() + asym_id_to_asym_mask = { + aid.item(): asym_id == aid for aid in torch.unique(asym_id) + } + N_chains = len(asym_id_to_asym_mask) + # Make sure it is from 0 to N_chain-1 + assert N_chains == asym_id.max() + 1 + + # Check and compute chain_types + chain_types = [] + mol_id_to_asym_ids, asym_id_to_mol_id = {}, {} + atom_type = (1 * is_ligand + 2 * is_protein + 3 * is_dna + 4 * is_rna).long() + if self.compute_vdw_clash: + assert mol_id is not None + assert elements_one_hot is not None + + for aid in range(N_chains): + atom_chain_mask = asym_id_to_asym_mask[aid][atom_to_token_idx] + atom_type_i = atom_type[atom_chain_mask] + assert len(atom_type_i.unique()) == 1 + if atom_type_i[0].item() == 0: + logging.warning( + "Unknown asym_id type: not in ligand / protein / dna / rna" + ) + chain_types.append(ID2TYPE[atom_type_i[0].item()]) + if self.compute_vdw_clash: + # Check if all atoms in a chain are from the same molecule + mol_id_i = mol_id[atom_chain_mask].unique().item() + mol_id_to_asym_ids.setdefault(mol_id_i, []).append(aid) + asym_id_to_mol_id[aid] = mol_id_i + + chain_info = { + "N_chains": N_chains, + "atom_to_token_idx": atom_to_token_idx, + "asym_id_to_asym_mask": asym_id_to_asym_mask, + "atom_type": atom_type, + "mol_id": mol_id, + "elements_one_hot": elements_one_hot, + "chain_types": chain_types, + } + + if self.compute_vdw_clash: + chain_info.update({"asym_id_to_mol_id": asym_id_to_mol_id}) + + return chain_info + + def get_chain_pair_violations( + self, + pred_coordinate, + violation_type, + chain_1_mask, + chain_2_mask, + elements_one_hot: Optional[torch.Tensor] = None, + ): + chain_1_coords = pred_coordinate[chain_1_mask, :] + chain_2_coords = pred_coordinate[chain_2_mask, :] + pred_dist = torch.cdist(chain_1_coords, chain_2_coords) + if violation_type == "af3": + clash_per_atom_pair = ( + pred_dist < self.af3_clash_threshold + ) # [ N_atom_chain_1, N_atom_chain_2] + clashed_col, clashed_row = torch.where(clash_per_atom_pair) + clash_atom_pairs = torch.stack((clashed_col, clashed_row), dim=-1) + else: + assert elements_one_hot is not None + vdw_radii_i, vdw_radii_j = get_vdw_radii( + elements_one_hot[chain_1_mask, :] + ), get_vdw_radii(elements_one_hot[chain_2_mask, :]) + vdw_sum_pair = ( + vdw_radii_i[:, None] + vdw_radii_j[None, :] + ) # [N_atom_chain_1, N_atom_chain_2] + relative_vdw_distance = pred_dist / vdw_sum_pair + clash_per_atom_pair = ( + relative_vdw_distance < self.vdw_clash_threshold + ) # [N_atom_chain_1, N_atom_chain_2] + clashed_col, clashed_row = torch.where(clash_per_atom_pair) + clash_rel_dist = relative_vdw_distance[clashed_col, clashed_row] + clashed_global_col = torch.where(chain_1_mask)[0][clashed_col] + clashed_global_row = torch.where(chain_2_mask)[0][clashed_row] + clash_atom_pairs = torch.stack( + (clashed_global_col, clashed_global_row, clash_rel_dist), dim=-1 + ) + return clash_atom_pairs + + def _check_clash_per_chain_pairs( + self, + pred_coordinate, + atom_to_token_idx, + N_chains, + atom_type, + chain_types, + elements_one_hot, + asym_id_to_asym_mask, + mol_id: Optional[torch.Tensor] = None, + asym_id_to_mol_id: Optional[torch.Tensor] = None, + ): + device = pred_coordinate.device + N_sample = pred_coordinate.shape[0] + + # initialize results + if self.compute_af3_clash: + has_af3_clash_flag = torch.zeros( + N_sample, N_chains, N_chains, device=device, dtype=torch.bool + ) + af3_clash_details = torch.zeros( + N_sample, N_chains, N_chains, 2, device=device, dtype=torch.bool + ) + if self.compute_vdw_clash: + has_vdw_clash_flag = torch.zeros( + N_sample, N_chains, N_chains, device=device, dtype=torch.bool + ) + vdw_clash_details = {} + + skipped_pairs = [] + for sample_id in range(N_sample): + for i in range(N_chains): + if chain_types[i] == "UNK": + continue + atom_chain_mask_i = asym_id_to_asym_mask[i][atom_to_token_idx] + N_chain_i = torch.sum(atom_chain_mask_i).item() + for j in range(i + 1, N_chains): + if chain_types[j] == "UNK": + continue + chain_pair_type = set([chain_types[i], chain_types[j]]) + # Skip potential bonded ligand to polymers + skip_bonded_ligand = False + if ( + self.compute_vdw_clash + and "lig" in chain_pair_type + and len(chain_pair_type) > 1 + and asym_id_to_mol_id[i] == asym_id_to_mol_id[j] + ): + common_mol_id = asym_id_to_mol_id[i] + logging.warning( + f"mol_id {common_mol_id} may contain bonded ligand to polymers" + ) + skip_bonded_ligand = True + skipped_pairs.append((i, j)) + atom_chain_mask_j = asym_id_to_asym_mask[j][atom_to_token_idx] + N_chain_j = torch.sum(atom_chain_mask_j).item() + if self.compute_vdw_clash and not skip_bonded_ligand: + vdw_clash_pairs = self.get_chain_pair_violations( + pred_coordinate=pred_coordinate[sample_id, :, :], + violation_type="vdw", + chain_1_mask=atom_chain_mask_i, + chain_2_mask=atom_chain_mask_j, + elements_one_hot=elements_one_hot, + ) + if vdw_clash_pairs.shape[0] > 0: + vdw_clash_details[(sample_id, i, j)] = vdw_clash_pairs + has_vdw_clash_flag[sample_id, i, j] = True + has_vdw_clash_flag[sample_id, j, i] = True + if ( + chain_types[i] == "lig" or chain_types[j] == "lig" + ): # AF3 clash only consider polymer chains + continue + if self.compute_af3_clash: + af3_clash_pairs = self.get_chain_pair_violations( + pred_coordinate=pred_coordinate[sample_id, :, :], + violation_type="af3", + chain_1_mask=atom_chain_mask_i, + chain_2_mask=atom_chain_mask_j, + ) + total_clash = af3_clash_pairs.shape[0] + relative_clash = total_clash / min(N_chain_i, N_chain_j) + af3_clash_details[sample_id, i, j, 0] = total_clash + af3_clash_details[sample_id, i, j, 1] = relative_clash + has_af3_clash_flag[sample_id, i, j] = ( + total_clash > 100 or relative_clash > 0.5 + ) + af3_clash_details[sample_id, j, i, :] = af3_clash_details[ + sample_id, i, j, : + ] + has_af3_clash_flag[sample_id, j, i] = has_af3_clash_flag[ + sample_id, i, j + ] + return { + "summary": { + "af3_clash": has_af3_clash_flag if self.compute_af3_clash else None, + "vdw_clash": has_vdw_clash_flag if self.compute_vdw_clash else None, + "chain_types": chain_types, + "skipped_pairs": skipped_pairs, + }, + "details": { + "af3_clash": af3_clash_details if self.compute_af3_clash else None, + "vdw_clash": vdw_clash_details if self.compute_vdw_clash else None, + }, + } diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/lddt_metrics.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/lddt_metrics.py new file mode 100644 index 0000000000000000000000000000000000000000..fea0d8e3e6ac0a01a80a7ea36df02b5596121f01 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/lddt_metrics.py @@ -0,0 +1,277 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Optional + +import torch +import torch.nn as nn + +from protenix.model import sample_confidence + + +def get_complex_level_rankers(scores, keys): + assert all([k in ["plddt", "gpde", "ranking_score"] for k in keys]) + rankers = {} + for key in keys: + if key == "gpde": + descending = False + else: + descending = True + ranking = scores[key].argsort(dim=0, descending=descending) + rankers[f"{key}.rank1"] = lambda x, rank1_idx=ranking[0].item(): x[ + ..., rank1_idx + ] + return rankers + + +def add_diff_metrics(scores, ranker_keys): + diff_metrics = { + "diff/best_worst": scores["best"] - scores["worst"], + "diff/best_random": scores["best"] - scores["random"], + "diff/best_median": scores["best"] - scores["median"], + } + + for key in ranker_keys: + diff_metrics.update( + { + f"diff/best_{key}": scores["best"] - scores[f"{key}.rank1"], + f"diff/{key}_median": scores[f"{key}.rank1"] - scores["median"], + } + ) + scores.update(diff_metrics) + return scores + + +class LDDTMetrics(nn.Module): + """LDDT: evaluated on chains and interfaces""" + + def __init__(self, configs): + super(LDDTMetrics, self).__init__() + self.eps = configs.metrics.lddt.eps + self.configs = configs + self.chunk_size = self.configs.infer_setting.lddt_metrics_chunk_size + self.lddt_base = LDDT(eps=self.eps) + + self.complex_ranker_keys = configs.metrics.get( + "complex_ranker_keys", ["plddt", "gpde", "ranking_score"] + ) + + def compute_lddt(self, pred_dict: dict, label_dict: dict): + """compute complex-level and chain/interface-level lddt + + Args: + pred_dict (Dict): a dictionary containing + coordinate: [N_sample, N_atom, 3] + label_dict (Dict): a dictionary containing + coordinate: [N_sample, N_atom, 3] + lddt_mask: [N_atom, N_atom] + """ + + out = {} + + # Complex-level + lddt = self.lddt_base.forward( + pred_coordinate=pred_dict["coordinate"], + true_coordinate=label_dict["coordinate"], + lddt_mask=label_dict["lddt_mask"], + chunk_size=self.chunk_size, + ) # [N_sample] + out["complex"] = lddt + + return out + + def aggregate( + self, + vals, + dim: int = -1, + aggregators: dict = {}, + ): + N_sample = vals.size(dim) + median_index = N_sample // 2 + basic_sample_aggregators = { + "best": lambda x: x.max(dim=dim)[0], + "worst": lambda x: x.min(dim=dim)[0], + "random": lambda x: x.select(dim=dim, index=0), + "mean": lambda x: x.mean(dim=dim), + "median": lambda x: x.sort(dim=dim, descending=True)[0].select( + dim=dim, index=median_index + ), + } + sample_aggregators = {**basic_sample_aggregators, **aggregators} + + return { + agg_name: agg_func(vals) + for agg_name, agg_func in sample_aggregators.items() + } + + def aggregate_lddt(self, lddt_dict, per_sample_summary_confidence): + + # Merge summary_confidence results + confidence_scores = sample_confidence.merge_per_sample_confidence_scores( + per_sample_summary_confidence + ) + + # Complex-level LDDT + complex_level_ranker = get_complex_level_rankers( + confidence_scores, self.complex_ranker_keys + ) + + complex_lddt = self.aggregate( + lddt_dict["complex"], aggregators=complex_level_ranker + ) + complex_lddt = add_diff_metrics(complex_lddt, self.complex_ranker_keys) + # Log metrics + complex_lddt = { + f"lddt/complex/{name}": value for name, value in complex_lddt.items() + } + return complex_lddt, {} + + +class LDDT(nn.Module): + """LDDT base metrics""" + + def __init__(self, eps: float = 1e-10): + super(LDDT, self).__init__() + self.eps = eps + + def _chunk_base_forward(self, pred_distance, true_distance) -> torch.Tensor: + distance_error_l1 = torch.abs( + pred_distance - true_distance + ) # [N_sample, N_pair_sparse] + thresholds = [0.5, 1, 2, 4] + sparse_pair_lddt = ( + torch.stack([distance_error_l1 < t for t in thresholds], dim=-1) + .to(dtype=distance_error_l1.dtype) + .mean(dim=-1) + ) # [N_sample, N_pair_sparse] + del distance_error_l1 + # Compute mean + if sparse_pair_lddt.numel() == 0: # corespand to all zero in dense mask + sparse_pair_lddt = torch.zeros_like(sparse_pair_lddt) + lddt = torch.mean(sparse_pair_lddt, dim=-1) + return lddt + + def _chunk_forward( + self, pred_distance, true_distance, chunk_size: Optional[int] = None + ) -> torch.Tensor: + if chunk_size is None: + return self._chunk_base_forward(pred_distance, true_distance) + else: + lddt = [] + N_sample = pred_distance.shape[-2] + no_chunks = N_sample // chunk_size + (N_sample % chunk_size != 0) + for i in range(no_chunks): + lddt_i = self._chunk_base_forward( + pred_distance[ + ..., + i * chunk_size : (i + 1) * chunk_size, + :, + ], + true_distance, + ) + lddt.append(lddt_i) + lddt = torch.cat(lddt, dim=-1) # [N_sample] + return lddt + + def _calc_sparse_dist(self, pred_coordinate, true_coordinate, l_index, m_index): + pred_coords_l = pred_coordinate.index_select( + -2, l_index + ) # [N_sample, N_atom_sparse_l, 3] + pred_coords_m = pred_coordinate.index_select( + -2, m_index + ) # [N_sample, N_atom_sparse_m, 3] + true_coords_l = true_coordinate.index_select( + -2, l_index + ) # [N_atom_sparse_l, 3] + true_coords_m = true_coordinate.index_select( + -2, m_index + ) # [N_atom_sparse_m, 3] + + pred_distance_sparse_lm = torch.norm( + pred_coords_l - pred_coords_m, p=2, dim=-1 + ) # [N_sample, N_pair_sparse] + true_distance_sparse_lm = torch.norm( + true_coords_l - true_coords_m, p=2, dim=-1 + ) # [N_sample, N_pair_sparse] + return pred_distance_sparse_lm, true_distance_sparse_lm + + def forward( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + lddt_mask: torch.Tensor, + chunk_size: Optional[int] = None, + ) -> dict[str, torch.Tensor]: + """LDDT: evaluated on complex, chains and interfaces + sparse implementation, which largely reduce cuda memory when atom num reaches 10^4 + + + Args: + pred_coordinate (torch.Tensor): the pred coordinates + [N_sample, N_atom, 3] + true_coordinate (torch.Tensor): the ground truth atom coordinates + [N_atom, 3] + lddt_mask (torch.Tensor): + sparse version of [N_atom, N_atom] atompair mask based on bespoke radius of true distance + [N_nonzero_mask, 2] + + Returns: + Dict[str, torch.Tensor]: + "best": [N_eval] + "worst": [N_eval] + """ + lddt_indices = torch.nonzero(lddt_mask, as_tuple=True) + l_index = lddt_indices[0] + m_index = lddt_indices[1] + pred_distance_sparse_lm, true_distance_sparse_lm = self._calc_sparse_dist( + pred_coordinate, true_coordinate, l_index, m_index + ) + group_lddt = self._chunk_forward( + pred_distance_sparse_lm, true_distance_sparse_lm, chunk_size=chunk_size + ) # [N_sample] + return group_lddt + + @staticmethod + def compute_lddt_mask( + true_coordinate: torch.Tensor, + true_coordinate_mask: torch.Tensor, + is_nucleotide: torch.Tensor = None, + is_nucleotide_threshold: float = 30.0, + threshold: float = 15.0, + ): + # Distance mask + distance_mask = ( + true_coordinate_mask[..., None] * true_coordinate_mask[..., None, :] + ) + # Distances for all atom pairs + # Note: we convert to bf16 for saving cuda memory, if performance drops, do not convert it + distance = (torch.cdist(true_coordinate, true_coordinate) * distance_mask).to( + true_coordinate.dtype + ) # [..., N_atom, N_atom] + + # Local mask + c_lm = distance < threshold # [..., N_atom, N_atom] + if is_nucleotide is not None: + # Use a different radius for nucleotide + is_nucleotide_mask = is_nucleotide.bool()[..., None] + c_lm = (distance < is_nucleotide_threshold) * is_nucleotide_mask + c_lm * ( + ~is_nucleotide_mask + ) + + # Zero-out diagonals of c_lm and cast to float + c_lm = c_lm * ( + 1 - torch.eye(n=c_lm.size(-1), device=c_lm.device, dtype=distance.dtype) + ) + # Zero-out atom pairs without true coordinates + c_lm = c_lm * distance_mask # [..., N_atom, N_atom] + return c_lm diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/rmsd.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/rmsd.py new file mode 100644 index 0000000000000000000000000000000000000000..175aba1ff05ef8a44a91af8885bb17e5b4d65f47 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/metrics/rmsd.py @@ -0,0 +1,260 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Optional + +import torch + + +def rmsd( + pred_pose: torch.Tensor, + true_pose: torch.Tensor, + mask: torch.Tensor = None, + eps: float = 0.0, + reduce: bool = True, +): + """ + compute rmsd between two poses, with the same shape + Arguments: + pred_pose/true_pose: [...,N,3], two poses with the same shape + mask: [..., N], mask to indicate which atoms/pseudo_betas/etc to compute + eps: add a tolerance to avoid floating number issue + reduce: decide the return shape of rmsd; + Return: + rmsd: if reduce = true, return the mean of rmsd over batches; + else return a tensor containing each rmsd separately + """ + + # mask [..., N] + assert pred_pose.shape == true_pose.shape # [..., N, 3] + + if mask is None: + mask = torch.ones(true_pose.shape[:-1], device=true_pose.device) + + # [...] + err2 = (torch.square(pred_pose - true_pose).sum(dim=-1) * mask).sum( + dim=-1 + ) / mask.sum(dim=-1) + rmsd = err2.add(eps).sqrt() + if reduce: + rmsd = rmsd.mean() + return rmsd + + +def align_pred_to_true( + pred_pose: torch.Tensor, + true_pose: torch.Tensor, + atom_mask: Optional[torch.Tensor] = None, + weight: Optional[torch.Tensor] = None, + allowing_reflection: bool = False, +): + """Find optimal transformation, rotation (and reflection) of two poses. + Arguments: + pred_pose: [...,N,3] the pose to perform transformation on + true_pose: [...,N,3] the target pose to align pred_pose to + atom_mask: [..., N] a mask for atoms + weight: [..., N] a weight vector to be applied. + allow_reflection: whether to allow reflection when finding optimal alignment + return: + aligned_pose: [...,N,3] the transformed pose + rot: optimal rotation + translate: optimal translation + """ + if atom_mask is not None: + pred_pose = pred_pose * atom_mask.unsqueeze(-1) + true_pose = true_pose * atom_mask.unsqueeze(-1) + else: + atom_mask = torch.ones(*pred_pose.shape[:-1]).to(pred_pose.device) + + if weight is None: + weight = atom_mask + else: + weight = weight * atom_mask + + weighted_n_atoms = torch.sum(weight, dim=-1, keepdim=True).unsqueeze(-1) + pred_pose_centroid = ( + torch.sum(pred_pose * weight.unsqueeze(-1), dim=-2, keepdim=True) + / weighted_n_atoms + ) + pred_pose_centered = pred_pose - pred_pose_centroid + true_pose_centroid = ( + torch.sum(true_pose * weight.unsqueeze(-1), dim=-2, keepdim=True) + / weighted_n_atoms + ) + true_pose_centered = true_pose - true_pose_centroid + H_mat = torch.matmul( + (pred_pose_centered * weight.unsqueeze(-1)).transpose(-2, -1), + true_pose_centered * atom_mask.unsqueeze(-1), + ) + u, s, v = torch.svd(H_mat) + u = u.transpose(-1, -2) + + if not allowing_reflection: + + det = torch.linalg.det(torch.matmul(v, u)) + + diagonal = torch.stack( + [torch.ones_like(det), torch.ones_like(det), det], dim=-1 + ) + rot = torch.matmul( + torch.diag_embed(diagonal).to(u.device), + u, + ) + rot = torch.matmul(v, rot) + else: + rot = torch.matmul(v, u) + translate = true_pose_centroid - torch.matmul( + pred_pose_centroid, rot.transpose(-1, -2) + ) + + pred_pose_translated = ( + torch.matmul(pred_pose_centered, rot.transpose(-1, -2)) + true_pose_centroid + ) + + return pred_pose_translated, rot, translate + + +def partially_aligned_rmsd( + pred_pose: torch.Tensor, + true_pose: torch.Tensor, + align_mask: torch.Tensor, + atom_mask: torch.Tensor, + weight: Optional[torch.Tensor] = None, + eps: float = 0.0, + reduce: bool = True, + allowing_reflection: bool = False, +): + """RMSD when aligning parts of the complex coordinate, does NOT take permutation symmetricity into consideration + Arguments: + pred_pose: native predicted pose, [..., N,3] + true_pose: ground truth pose, [..., N, 3] + align_mask: a mask representing which coordinates to align [..., N] + atom_mask: a mask representing which coordinates to compute loss [..., N] + weight: a weight tensor assining weights in alignment for each atom [..., N] + eps: add a tolerance to avoid floating number issue in sqrt + reduce: decide the return shape of rmsd; + allowing_reflection: whether to allow reflection when finding optimal alignment + return: + aligned_part_rmsd: the rmsd of part being align_masked + unaligned_part_rmsd: the rmsd of unaligned part + transformed_pred_pose: + rot: optimal rotation + trans: optimal translation + """ + _, rot, translate = align_pred_to_true( + pred_pose, + true_pose, + atom_mask=atom_mask * align_mask, + weight=weight, + allowing_reflection=allowing_reflection, + ) + transformed_pose = torch.matmul(pred_pose, rot.transpose(-1, -2)) + translate + err_atom = torch.square(transformed_pose - true_pose).sum(dim=-1) * atom_mask + aligned_mask, unaligned_mask = atom_mask * align_mask.float(), atom_mask * ( + 1 - align_mask.float() + ) + aligned_part_err_square = (err_atom * aligned_mask).sum(dim=-1) / aligned_mask.sum( + dim=-1 + ) + unaligned_part_err_square = (err_atom * unaligned_mask).sum( + dim=-1 + ) / unaligned_mask.sum(dim=-1) + aligned_part_rmsd = aligned_part_err_square.add(eps).sqrt() + unaligned_part_rmsd = unaligned_part_err_square.add(eps).sqrt() + if reduce: + aligned_part_rmsd = aligned_part_rmsd.mean() + unaligned_part_rmsd = unaligned_part_rmsd.mean() + return aligned_part_rmsd, unaligned_part_rmsd, transformed_pose, rot, translate + + +def self_aligned_rmsd( + pred_pose: torch.Tensor, + true_pose: torch.Tensor, + atom_mask: torch.Tensor, + eps: float = 0.0, + reduce: bool = True, + allowing_reflection: bool = False, +): + """RMSD when aligning one molecule with ground truth and compute rmsd. + Arguments: + pred_pose: native predicted pose, [..., N,3] + true_pose: ground truth pose, [..., N, 3] + atom_mask: a mask representing which coordinates to compute loss [..., N] + eps: add a tolerance to avoid floating number issue in sqrt + reduce: decide the return shape of rmsd; + allowing_reflection: whether to allow reflection when finding optimal alignment + return: + aligned_rmsd: the rmsd of part being align_masked + transformed_pred_pose: the aligned pose + rot: optimal rotation matrix + trans: optimal translation + """ + aligned_rmsd, _, transformed_pred_pose, rot, trans = partially_aligned_rmsd( + pred_pose=pred_pose, + true_pose=true_pose, + align_mask=atom_mask, + atom_mask=atom_mask, + eps=eps, + reduce=reduce, + allowing_reflection=allowing_reflection, + ) + return aligned_rmsd, transformed_pred_pose, rot, trans + + +def weighted_rigid_align( + x: torch.Tensor, + x_target: torch.Tensor, + atom_weight: torch.Tensor, + stop_gradient: bool = True, +) -> tuple[torch.Tensor]: + """Implements Algorithm 28 in AF3. Wrap `align_pred_to_true`. + + Args: + x (torch.Tensor): input coordinates, it will be moved to match x_target. + [..., N_atom, 3] + x_target (torch.Tensor): target coordinates for the input to match. + [..., N_atom, 3] + atom_weight (torch.Tensor): weights for each atom. + [..., N_atom] or [N_atom] + stop_gradient (bool): whether to detach the output. If true, will run it with no_grad() ctx. + + Returns: + x_aligned (torch.Tensor): rotated, translated x which should be closer to x_target. + [..., N_atom, 3] + """ + + if len(atom_weight.shape) == len(x.shape) - 1: + assert atom_weight.shape[:-1] == x.shape[:-2] + else: + assert len(atom_weight.shape) == 1 and atom_weight.shape[-1] == x.shape[-2] + + if stop_gradient: + with torch.no_grad(): + x_aligned, rot, trans = align_pred_to_true( + pred_pose=x, + true_pose=x_target, + atom_mask=None, + weight=atom_weight, + allowing_reflection=False, + ) + return x_aligned.detach() + else: + x_aligned, rot, trans = align_pred_to_true( + pred_pose=x, + true_pose=x_target, + atom_mask=None, + weight=atom_weight, + allowing_reflection=False, + ) + return x_aligned diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/generator.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/generator.py new file mode 100644 index 0000000000000000000000000000000000000000..76d9d8e54ba9433a209cf7a7cbd2fe4ec6451c1c --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/generator.py @@ -0,0 +1,332 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Any, Callable, Optional + +import torch + +from protenix.model.utils import centre_random_augmentation + + +class TrainingNoiseSampler: + """ + Sample the noise-level of of training samples + """ + + def __init__( + self, + p_mean: float = -1.2, + p_std: float = 1.5, + sigma_data: float = 16.0, # NOTE: in EDM, this is 1.0 + ) -> None: + """Sampler for training noise-level + + Args: + p_mean (float, optional): gaussian mean. Defaults to -1.2. + p_std (float, optional): gaussian std. Defaults to 1.5. + sigma_data (float, optional): scale. Defaults to 16.0, but this is 1.0 in EDM. + """ + self.sigma_data = sigma_data + self.p_mean = p_mean + self.p_std = p_std + print(f"train scheduler {self.sigma_data}") + + def __call__( + self, size: torch.Size, device: torch.device = torch.device("cpu") + ) -> torch.Tensor: + """Sampling + + Args: + size (torch.Size): the target size + device (torch.device, optional): target device. Defaults to torch.device("cpu"). + + Returns: + torch.Tensor: sampled noise-level + """ + rnd_normal = torch.randn(size=size, device=device) + noise_level = (rnd_normal * self.p_std + self.p_mean).exp() * self.sigma_data + return noise_level + + +class InferenceNoiseScheduler: + """ + Scheduler for noise-level (time steps) + """ + + def __init__( + self, + s_max: float = 160.0, + s_min: float = 4e-4, + rho: float = 7, + sigma_data: float = 16.0, # NOTE: in EDM, this is 1.0 + ) -> None: + """Scheduler parameters + + Args: + s_max (float, optional): maximal noise level. Defaults to 160.0. + s_min (float, optional): minimal noise level. Defaults to 4e-4. + rho (float, optional): the exponent numerical part. Defaults to 7. + sigma_data (float, optional): scale. Defaults to 16.0, but this is 1.0 in EDM. + """ + self.sigma_data = sigma_data + self.s_max = s_max + self.s_min = s_min + self.rho = rho + print(f"inference scheduler {self.sigma_data}") + + def __call__( + self, + N_step: int = 200, + device: torch.device = torch.device("cpu"), + dtype: torch.dtype = torch.float32, + ) -> torch.Tensor: + """Schedule the noise-level (time steps). No sampling is performed. + + Args: + N_step (int, optional): number of time steps. Defaults to 200. + device (torch.device, optional): target device. Defaults to torch.device("cpu"). + dtype (torch.dtype, optional): target dtype. Defaults to torch.float32. + + Returns: + torch.Tensor: noise-level (time_steps) + [N_step+1] + """ + step_size = 1 / N_step + step_indices = torch.arange(N_step + 1, device=device, dtype=dtype) + t_step_list = ( + self.sigma_data + * ( + self.s_max ** (1 / self.rho) + + step_indices + * step_size + * (self.s_min ** (1 / self.rho) - self.s_max ** (1 / self.rho)) + ) + ** self.rho + ) + # replace the last time step by 0 + t_step_list[..., -1] = 0 # t_N = 0 + + return t_step_list + + +def sample_diffusion( + denoise_net: Callable, + input_feature_dict: dict[str, Any], + s_inputs: torch.Tensor, + s_trunk: torch.Tensor, + z_trunk: torch.Tensor, + noise_schedule: torch.Tensor, + N_sample: int = 1, + gamma0: float = 0.8, + gamma_min: float = 1.0, + noise_scale_lambda: float = 1.003, + step_scale_eta: float = 1.5, + diffusion_chunk_size: Optional[int] = None, + inplace_safe: bool = False, + attn_chunk_size: Optional[int] = None, +) -> torch.Tensor: + """Implements Algorithm 18 in AF3. + It performances denoising steps from time 0 to time T. + The time steps (=noise levels) are given by noise_schedule. + + Args: + denoise_net (Callable): the network that performs the denoising step. + input_feature_dict (dict[str, Any]): input meta feature dict + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_tokens, c_s_inputs] + s_trunk (torch.Tensor): single feature embedding from PairFormer (Alg17) + [..., N_tokens, c_s] + z_trunk (torch.Tensor): pair feature embedding from PairFormer (Alg17) + [..., N_tokens, N_tokens, c_z] + noise_schedule (torch.Tensor): noise-level schedule (which is also the time steps) since sigma=t. + [N_iterations] + N_sample (int): number of generated samples + gamma0 (float): params in Alg.18. + gamma_min (float): params in Alg.18. + noise_scale_lambda (float): params in Alg.18. + step_scale_eta (float): params in Alg.18. + diffusion_chunk_size (Optional[int]): Chunk size for diffusion operation. Defaults to None. + inplace_safe (bool): Whether to use inplace operations safely. Defaults to False. + attn_chunk_size (Optional[int]): Chunk size for attention operation. Defaults to None. + + Returns: + torch.Tensor: the denoised coordinates of x in inference stage + [..., N_sample, N_atom, 3] + """ + N_atom = input_feature_dict["atom_to_token_idx"].size(-1) + batch_shape = s_inputs.shape[:-2] + device = s_inputs.device + dtype = s_inputs.dtype + + def _chunk_sample_diffusion(chunk_n_sample, inplace_safe): + # init noise + # [..., N_sample, N_atom, 3] + x_l = noise_schedule[0] * torch.randn( + size=(*batch_shape, chunk_n_sample, N_atom, 3), device=device, dtype=dtype + ) # NOTE: set seed in distributed training + + for _, (c_tau_last, c_tau) in enumerate( + zip(noise_schedule[:-1], noise_schedule[1:]) + ): + # [..., N_sample, N_atom, 3] + x_l = ( + centre_random_augmentation(x_input_coords=x_l, N_sample=1) + .squeeze(dim=-3) + .to(dtype) + ) + + # Denoise with a predictor-corrector sampler + # 1. Add noise to move x_{c_tau_last} to x_{t_hat} + gamma = float(gamma0) if c_tau > gamma_min else 0 + t_hat = c_tau_last * (gamma + 1) + + delta_noise_level = torch.sqrt(t_hat**2 - c_tau_last**2) + x_noisy = x_l + noise_scale_lambda * delta_noise_level * torch.randn( + size=x_l.shape, device=device, dtype=dtype + ) + + # 2. Denoise from x_{t_hat} to x_{c_tau} + # Euler step only + t_hat = ( + t_hat.reshape((1,) * (len(batch_shape) + 1)) + .expand(*batch_shape, chunk_n_sample) + .to(dtype) + ) + + x_denoised = denoise_net( + x_noisy=x_noisy, + t_hat_noise_level=t_hat, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s_trunk, + z_trunk=z_trunk, + chunk_size=attn_chunk_size, + inplace_safe=inplace_safe, + ) + + delta = (x_noisy - x_denoised) / t_hat[ + ..., None, None + ] # Line 9 of AF3 uses 'x_l_hat' instead, which we believe is a typo. + dt = c_tau - t_hat + x_l = x_noisy + step_scale_eta * dt[..., None, None] * delta + + return x_l + + if diffusion_chunk_size is None: + x_l = _chunk_sample_diffusion(N_sample, inplace_safe=inplace_safe) + else: + x_l = [] + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + for i in range(no_chunks): + chunk_n_sample = ( + diffusion_chunk_size + if i < no_chunks - 1 + else N_sample - i * diffusion_chunk_size + ) + chunk_x_l = _chunk_sample_diffusion( + chunk_n_sample, inplace_safe=inplace_safe + ) + x_l.append(chunk_x_l) + x_l = torch.cat(x_l, -3) # [..., N_sample, N_atom, 3] + return x_l + + +def sample_diffusion_training( + noise_sampler: TrainingNoiseSampler, + denoise_net: Callable, + label_dict: dict[str, Any], + input_feature_dict: dict[str, Any], + s_inputs: torch.Tensor, + s_trunk: torch.Tensor, + z_trunk: torch.Tensor, + N_sample: int = 1, + diffusion_chunk_size: Optional[int] = None, +) -> tuple[torch.Tensor, ...]: + """Implements diffusion training as described in AF3 Appendix at page 23. + It performances denoising steps from time 0 to time T. + The time steps (=noise levels) are given by noise_schedule. + + Args: + denoise_net (Callable): the network that performs the denoising step. + label_dict (dict, optional) : a dictionary containing the followings. + "coordinate": the ground-truth coordinates + [..., N_atom, 3] + "coordinate_mask": whether true coordinates exist. + [..., N_atom] + input_feature_dict (dict[str, Any]): input meta feature dict + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_tokens, c_s_inputs] + s_trunk (torch.Tensor): single feature embedding from PairFormer (Alg17) + [..., N_tokens, c_s] + z_trunk (torch.Tensor): pair feature embedding from PairFormer (Alg17) + [..., N_tokens, N_tokens, c_z] + N_sample (int): number of training samples + Returns: + torch.Tensor: the denoised coordinates of x in inference stage + [..., N_sample, N_atom, 3] + """ + batch_size_shape = label_dict["coordinate"].shape[:-2] + device = label_dict["coordinate"].device + dtype = label_dict["coordinate"].dtype + # Areate N_sample versions of the input structure by randomly rotating and translating + x_gt_augment = centre_random_augmentation( + x_input_coords=label_dict["coordinate"], + N_sample=N_sample, + mask=label_dict["coordinate_mask"], + ).to( + dtype + ) # [..., N_sample, N_atom, 3] + + # Add independent noise to each structure + # sigma: independent noise-level [..., N_sample] + sigma = noise_sampler(size=(*batch_size_shape, N_sample), device=device).to(dtype) + # noise: [..., N_sample, N_atom, 3] + noise = torch.randn_like(x_gt_augment, dtype=dtype) * sigma[..., None, None] + + # Get denoising outputs [..., N_sample, N_atom, 3] + if diffusion_chunk_size is None: + x_denoised = denoise_net( + x_noisy=x_gt_augment + noise, + t_hat_noise_level=sigma, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s_trunk, + z_trunk=z_trunk, + ) + else: + x_denoised = [] + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + for i in range(no_chunks): + x_noisy_i = (x_gt_augment + noise)[ + ..., i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, :, : + ] + t_hat_noise_level_i = sigma[ + ..., i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size + ] + x_denoised_i = denoise_net( + x_noisy=x_noisy_i, + t_hat_noise_level=t_hat_noise_level_i, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s_trunk, + z_trunk=z_trunk, + ) + x_denoised.append(x_denoised_i) + x_denoised = torch.cat(x_denoised, dim=-3) + + return x_gt_augment, x_denoised, sigma diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..377756a92b6059b172ab3ac1a04b9bf231a7b564 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/__init__.py @@ -0,0 +1,16 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Copyright 2021- HPC-AI Technology Inc. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http:#www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +from .layer_norm import FusedLayerNorm diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/compat.h b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/compat.h new file mode 100644 index 0000000000000000000000000000000000000000..66f0cf736826a5088e5e0b0897b0cbcc38d7c5b9 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/compat.h @@ -0,0 +1,24 @@ +// modified from https://github.com/NVIDIA/apex/blob/master/csrc/compat.h +// Copyright 2021- HPC-AI Technology Inc. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. + +#ifndef TORCH_CHECK +#define TORCH_CHECK AT_CHECK +#endif + +#ifdef VERSION_GE_1_3 +#define DATA_PTR data_ptr +#else +#define DATA_PTR data +#endif \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/layer_norm_cuda.cpp b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/layer_norm_cuda.cpp new file mode 100644 index 0000000000000000000000000000000000000000..656091c54ce599761d226724bbdd65b9c7abd1b0 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/layer_norm_cuda.cpp @@ -0,0 +1,138 @@ +// Copyright 2021- HPC-AI Technology Inc. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and + +#include +#include + +#include +#include + +#include "compat.h" + +void compute_n1_n2(at::Tensor input, at::IntArrayRef normalized_shape, int& n1, int& n2) { + int idiff = input.ndimension() - normalized_shape.size(); + n2 = 1; + for (int i = 0; i < (int)normalized_shape.size(); ++i) { + assert(input.sizes()[i + idiff] == normalized_shape[i]); + n2 *= normalized_shape[i]; + } + n1 = 1; + for (int i = 0; i < idiff; ++i) { + n1 *= input.sizes()[i]; + } +} + +void check_args(at::IntArrayRef normalized_shape, at::Tensor gamma, at::Tensor beta) { + TORCH_CHECK(!gamma.defined() || gamma.sizes().equals(normalized_shape)); + TORCH_CHECK(!beta.defined() || beta.sizes().equals(normalized_shape)); +} + +void check_args(at::Tensor input, at::IntArrayRef normalized_shape, int& n1, int& n2) { + int64_t normalized_ndim = normalized_shape.size(); + + if (normalized_ndim < 1) { + std::stringstream ss; + ss << "Expected normalized_shape to be at least 1-dimensional, i.e., " + << "containing at least one element, but got normalized_shape=" << normalized_shape; + throw std::runtime_error(ss.str()); + } + + auto input_shape = input.sizes(); + auto input_ndim = input.dim(); + + if (input_ndim < normalized_ndim || + !input_shape.slice(input_ndim - normalized_ndim).equals(normalized_shape)) { + std::stringstream ss; + ss << "Given normalized_shape=" << normalized_shape << ", expected input with shape [*"; + for (auto size : normalized_shape) { + ss << ", " << size; + } + ss << "], but got input of size" << input_shape; + throw std::runtime_error(ss.str()); + } + + compute_n1_n2(input, normalized_shape, n1, n2); +} + +void check_args(at::Tensor input, at::IntArrayRef normalized_shape, at::Tensor gamma, + at::Tensor beta, int& n1, int& n2) { + check_args(input, normalized_shape, n1, n2); + check_args(normalized_shape, gamma, beta); +} + +void cuda_layer_norm(at::Tensor* output, at::Tensor* mean, at::Tensor* invvar, at::Tensor* input, + int n1, int n2, at::IntArrayRef normalized_shape, at::Tensor* gamma, + at::Tensor* beta, double epsilon); + +#define CHECK_CUDA(x) TORCH_CHECK(x.is_cuda(), #x " must be a CUDA tensor") +#define CHECK_CONTIGUOUS(x) TORCH_CHECK(x.is_contiguous(), #x " must be contiguous") +#define CHECK_INPUT(x) \ + CHECK_CUDA(x); \ + CHECK_CONTIGUOUS(x) + +std::vector layer_norm_affine(at::Tensor input, at::IntArrayRef normalized_shape, + at::Tensor gamma, at::Tensor beta, double epsilon) { + CHECK_INPUT(input); + CHECK_INPUT(gamma); + CHECK_INPUT(beta); + int n1, n2; + check_args(input, normalized_shape, gamma, beta, n1, n2); + + const at::cuda::OptionalCUDAGuard device_guard(device_of(input)); + + at::Tensor output = at::empty_like(input, gamma.options().dtype(gamma.scalar_type())); + at::Tensor mean = at::empty({n1}, input.options().dtype(at::ScalarType::Float)); + at::Tensor invvar = at::empty_like(mean); + + cuda_layer_norm(&output, &mean, &invvar, &input, n1, n2, normalized_shape, &gamma, &beta, + epsilon); + + return {output, mean, invvar}; +} + +void cuda_layer_norm_gradient(at::Tensor* dout, at::Tensor* mean, at::Tensor* invvar, + at::Tensor* input, int n1, int n2, at::IntArrayRef normalized_shape, + at::Tensor* gamma, at::Tensor* beta, double epsilon, + at::Tensor* grad_input, at::Tensor* grad_gamma, + at::Tensor* grad_beta); + +std::vector layer_norm_gradient_affine(at::Tensor dout, at::Tensor mean, + at::Tensor invvar, at::Tensor input, + at::IntArrayRef normalized_shape, + at::Tensor gamma, at::Tensor beta, + double epsilon) { + CHECK_INPUT(dout); + CHECK_INPUT(mean); + CHECK_INPUT(invvar); + CHECK_INPUT(input); + CHECK_INPUT(gamma); + CHECK_INPUT(beta); + int n1, n2; + check_args(input, normalized_shape, gamma, beta, n1, n2); + + const at::cuda::OptionalCUDAGuard device_guard(device_of(input)); + + at::Tensor grad_input = at::empty_like(input); + at::Tensor grad_gamma = at::empty_like(gamma); + at::Tensor grad_beta = at::empty_like(beta); + + cuda_layer_norm_gradient(&dout, &mean, &invvar, &input, n1, n2, normalized_shape, &gamma, &beta, + epsilon, &grad_input, &grad_gamma, &grad_beta); + + return {grad_input, grad_gamma, grad_beta}; +} + +PYBIND11_MODULE(TORCH_EXTENSION_NAME, m) { + m.def("forward_affine", &layer_norm_affine, "LayerNorm forward (CUDA)"); + m.def("backward_affine", &layer_norm_gradient_affine, "LayerNorm backward (CUDA)"); +} \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/layer_norm_cuda_kernel.cu b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/layer_norm_cuda_kernel.cu new file mode 100644 index 0000000000000000000000000000000000000000..04d34de0c0fff733ac94e802e72c884a66f3f849 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/layer_norm_cuda_kernel.cu @@ -0,0 +1,409 @@ +// Copyright 2024 ByteDance and/or its affiliates. +// Copyright 2020 The OneFlow Authors. +// Copyright 2021- HPC-AI Technology Inc. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. +#include +#include +#include +#include +#include + +#include + +#include "ATen/ATen.h" +#include "ATen/AccumulateType.h" +#include "ATen/cuda/CUDAContext.h" +#include "compat.h" +#include "type_shim.h" + +#define CHECK_CUDA(x) TORCH_CHECK(x.is_cuda(), #x " must be a CUDA tensor") +#define CHECK_CONTIGUOUS(x) TORCH_CHECK(x.is_contiguous(), #x " must be contiguous") +#define CHECK_INPUT(x) \ + CHECK_CUDA(x); \ + CHECK_CONTIGUOUS(x) + +#define WarpNum 8 +#define WarpSize 32 +#define BlockSzie WarpNum*WarpSize + +inline __device__ void WelfordOnline(float val, float* mean, float* m2, float* count) { + *count += 1; + float delta1 = val - *mean; + *mean += delta1 / (*count); + float delta2 = val - *mean; + *m2 += delta1 * delta2; +} + +inline __device__ void WelfordOnline(float b_mean, float b_m2, float b_count, float* mean, + float* m2, float* count) { + if (b_count == 0) { + return; + } + float new_count = *count + b_count; + float nb_n = b_count / new_count; + float delta = b_mean - *mean; + *mean += delta * nb_n; + *m2 += b_m2 + delta * delta * (*count) * nb_n; + *count = new_count; +} + +__inline__ __device__ void WelfordWarpAllReduce(float thread_mean, float thread_m2, + float thread_count, float* mean, float* m2, + float* count) { + *mean = thread_mean; + *m2 = thread_m2; + *count = thread_count; + for (int mask = 1; mask < 32; mask *= 2) { + float b_mean = __shfl_down_sync(0xffffffff, *mean, mask); + float b_m2 = __shfl_down_sync(0xffffffff, *m2, mask); + float b_count = __shfl_down_sync(0xffffffff, *count, mask); + WelfordOnline(b_mean, b_m2, b_count, mean, m2, count); + } + + *mean = __shfl_sync(0xffffffff, *mean, 0, 32); + *m2 = __shfl_sync(0xffffffff, *m2, 0, 32); + *count = __shfl_sync(0xffffffff, *count, 0, 32); +} + +extern __shared__ float shared_data[]; +template +__global__ void LayerNormForward(T* input, T* output, T* gamma, T* beta, float* mean, + float* invvar, int rows, int cols, double epsilon) { + int warp_id = threadIdx.x / WarpSize; + int lane_id = threadIdx.x % WarpSize; + int row_offset = blockIdx.x * WarpNum + warp_id; + + float* shared_data_warp = shared_data + warp_id*cols; + + if (row_offset < rows) { + T* row_input = input + (long long)(row_offset) * (long long)(cols); // Starting point for input data + T* row_output = output + (long long)(row_offset) * (long long)(cols); // Starting point for output data + + float thread_mean = 0.f; + float thread_m2 = 0.f; + float thread_count = 0.f; + + float warp_mean; + float warp_m2; + float warp_count; + // load data to shared memory +#pragma unroll + for(int idx = lane_id; idx < cols; idx += WarpSize) { + shared_data_warp[idx] = static_cast(row_input[idx]); + WelfordOnline(shared_data_warp[idx], &thread_mean, &thread_m2, &thread_count); + } + + WelfordWarpAllReduce(thread_mean, thread_m2, thread_count, &warp_mean, &warp_m2, + &warp_count); + + float row_mean = warp_mean; + float row_variance = max(warp_m2 / warp_count, 0.f); + float row_inv_var = rsqrt(row_variance + epsilon); + if (lane_id == 0) { + mean[row_offset] = row_mean; + invvar[row_offset] = row_inv_var; + } + +#pragma unroll + for(int idx = lane_id; idx < cols; idx += WarpSize) { + row_output[idx] = static_cast((shared_data_warp[idx] - row_mean) * row_inv_var) * gamma[idx] + beta[idx]; + } + } +} + +void cuda_layer_norm(at::Tensor* output, at::Tensor* mean, at::Tensor* invvar, at::Tensor* input, + int rows, int cols, at::IntArrayRef normalized_shape, at::Tensor* gamma, + at::Tensor* beta, double epsilon) { + int grid = (rows + WarpNum - 1) / WarpNum; // each warp process one line + dim3 block(BlockSzie); + // add shared memory size + int shared_meory_size = WarpNum*sizeof(float)*cols; + if (output->dtype() == torch::kFloat32) { + LayerNormForward<<>>( + (float*)input->data_ptr(), (float*)output->data_ptr(), (float*)gamma->data_ptr(), + (float*)beta->data_ptr(), (float*)mean->data_ptr(), (float*)invvar->data_ptr(), rows, + cols, epsilon); + } else if (output->dtype() == torch::kFloat16) { + LayerNormForward<<>>( + (at::Half*)input->data_ptr(), (at::Half*)output->data_ptr(), + (at::Half*)gamma->data_ptr(), (at::Half*)beta->data_ptr(), (float*)mean->data_ptr(), + (float*)invvar->data_ptr(), rows, cols, epsilon); + } else if (output->dtype() == torch::kBFloat16) { + LayerNormForward<<>>( + (at::BFloat16*)input->data_ptr(), (at::BFloat16*)output->data_ptr(), + (at::BFloat16*)gamma->data_ptr(), (at::BFloat16*)beta->data_ptr(), + (float*)mean->data_ptr(), (float*)invvar->data_ptr(), rows, cols, epsilon); + } +} + +template +struct SharedMemory; + +template <> +struct SharedMemory { + __device__ float* getPointer() { + extern __shared__ float s_float[]; + return s_float; + } +}; + +template +__inline__ __device__ T WarpReduce(T val) { + for (int mask = 16; mask > 0; mask /= 2) { val += __shfl_xor_sync(0xffffffff, val, mask); } + return val; +} + +constexpr int tile_size = 32; +constexpr int num_per_block = 4; +constexpr int block_dim_x = 32; +constexpr int block_dim_y = 32 / num_per_block; + +template +__global__ void LayerNormParamGradStep1(int rows, int cols, const V* __restrict__ dy, + const T* __restrict__ x, const U* __restrict__ mean, + const U* __restrict__ inv_var, + U* __restrict__ tmp_gamma_diff, U* __restrict__ tmp_beta_diff) { + __shared__ U dgamma[32][33]; + __shared__ U dbeta[32][33]; + U dgamma_sum[num_per_block]; + U dbeta_sum[num_per_block]; +#pragma unroll + for (int index = 0; index < num_per_block; ++index) { + dgamma_sum[index] = 0; + dbeta_sum[index] = 0; + } + const int col_id = blockIdx.x * blockDim.x + threadIdx.x; + if (col_id < cols) { + for (int i = blockIdx.y * tile_size + threadIdx.y; i < rows; i += tile_size * gridDim.y) { +#pragma unroll + for (int index = 0; index < num_per_block; ++index) { + int row_id = i + index * blockDim.y; + if (row_id < rows) { + int offset = row_id * cols + col_id; + const U dy_val = static_cast(dy[offset]); + const U x_val = static_cast(x[offset]); + const U mean_val = mean[row_id]; + const U inv_var_val = inv_var[row_id]; + dgamma_sum[index] += dy_val * (x_val - mean_val) * inv_var_val; + dbeta_sum[index] += dy_val; + } + } + } + } +#pragma unroll + for (int index = 0; index < num_per_block; ++index) { + dgamma[index * blockDim.y + threadIdx.y][threadIdx.x] = dgamma_sum[index]; + dbeta[index * blockDim.y + threadIdx.y][threadIdx.x] = dbeta_sum[index]; + } + __syncthreads(); +#pragma unroll + for (int index = 0; index < num_per_block; ++index) { + const int col_id = blockIdx.x * blockDim.x + threadIdx.y + index * blockDim.y; + if (col_id < cols) { + U gamma_sum = dgamma[threadIdx.x][threadIdx.y + index * blockDim.y]; + U beta_sum = dbeta[threadIdx.x][threadIdx.y + index * blockDim.y]; + U global_dgamma = WarpReduce(gamma_sum); + U global_dbeta = WarpReduce(beta_sum); + if (threadIdx.x == 0) { + const int offset = blockIdx.y * cols + col_id; + tmp_gamma_diff[offset] = global_dgamma; + tmp_beta_diff[offset] = global_dbeta; + } + } + } +} + +template +__global__ void LayerNormParamGradStep2(const U* part_grad_gamma, const U* part_grad_beta, + const int part_size, const int n1, const int n2, + V* grad_gamma, V* grad_beta) { + // sum partial gradients for gamma and beta + SharedMemory shared; + U* buf = shared.getPointer(); + int i2 = blockIdx.x * blockDim.x + threadIdx.x; + if (i2 < n2) { + // each warp does sequential reductions until reduced part_size is num_warps + // int num_warp_reductions = part_size / blockDim.y; + U sum_gamma = U(0); + U sum_beta = U(0); + const U* part_grad_gamma_ptr = part_grad_gamma + i2; + const U* part_grad_beta_ptr = part_grad_beta + i2; + for (int row_idx = threadIdx.y; row_idx < part_size; row_idx += blockDim.y) { + sum_gamma += part_grad_gamma_ptr[row_idx * n2]; + sum_beta += part_grad_beta_ptr[row_idx * n2]; + } + // inter-warp reductions + const int nbsize3 = blockDim.x * blockDim.y / 2; + for (int offset = blockDim.y / 2; offset >= 1; offset /= 2) { + // top half write to shared memory + if (threadIdx.y >= offset && threadIdx.y < 2 * offset) { + const int write_idx = (threadIdx.y - offset) * blockDim.x + threadIdx.x; + buf[write_idx] = sum_gamma; + buf[write_idx + nbsize3] = sum_beta; + } + __syncthreads(); + // bottom half sums + if (threadIdx.y < offset) { + const int read_idx = threadIdx.y * blockDim.x + threadIdx.x; + sum_gamma += buf[read_idx]; + sum_beta += buf[read_idx + nbsize3]; + } + __syncthreads(); + } + // write out fully summed gradients + if (threadIdx.y == 0) { + grad_gamma[i2] = sum_gamma; + grad_beta[i2] = sum_beta; + } + } +} + +template +__global__ void LayerNormInputGrad(const V* __restrict__ dout, const T* __restrict__ input, + const int rows, const int cols, const U* __restrict__ mean, + const U* __restrict__ invvar, U epsilon, const V* gamma, + T* grad_input) { + int WarpPerBlock = blockDim.x / WarpSize; + int thread_idx = threadIdx.x; + int warp_idx = thread_idx / WarpSize; + int lane_idx = thread_idx % WarpSize; + + float* shared_dout = shared_data + warp_idx*cols; + float* shared_input = shared_data + WarpPerBlock*cols + warp_idx*cols; + float* shared_gamma = shared_data + 2*WarpPerBlock*cols; + int row_stride = gridDim.x*WarpPerBlock; + for(int row = blockIdx.x*WarpPerBlock+warp_idx; row < rows; row += row_stride) { + U mean_r = mean[row]; + U invvar_r = invvar[row]; + // load dout, input and gamma + long long data_offset = (long long)(row) * cols; + const V* dout_r = dout + data_offset; + const T* input_r = input + data_offset; + T* grad_input_r = grad_input + data_offset; +#pragma unroll + for(int col = lane_idx; col < cols; col += WarpSize) { + shared_dout[col] = float(dout_r[col]); + shared_input[col] = float(input_r[col]); + } + if(warp_idx == 0) { +#pragma unroll + for(int col = lane_idx; col < cols; col += WarpSize) { + shared_gamma[col] = float(gamma[col]); + } + } + __syncthreads(); + + float gamma_dout = 0.0; + float gamma_dout_input_mean = 0.0; + // reduction, gamma*dout and gamma*dout*(input-mean) +#pragma unroll + for(int col = lane_idx; col < cols; col += WarpSize) { + float temp = shared_gamma[col] * shared_dout[col]; + gamma_dout += temp; + gamma_dout_input_mean += temp * (shared_input[col] - mean_r); + } + float global_gamma_dout = WarpReduce(gamma_dout); + float global_gamma_dout_input_mean = WarpReduce(gamma_dout_input_mean); + + float part3_temp_value = global_gamma_dout_input_mean * invvar_r * invvar_r * invvar_r / cols; + float part2 = global_gamma_dout * invvar_r / cols; +#pragma unroll + for(int col = lane_idx; col < cols; col += WarpSize) { + float part1 = shared_gamma[col] * shared_dout[col] * invvar_r; + float part3 = (shared_input[col] - mean_r) * part3_temp_value; + grad_input_r[col] = part1 - part2 - part3; + } + } +} + +template +int GetGirdDimY(const int64_t num_instances, const int64_t norm_size) { + const int grid_dim_x = (norm_size + tile_size - 1) / tile_size; + const int max_grid_dim_y = (num_instances + tile_size - 1) / tile_size; + const int block_size = block_dim_x * block_dim_y; + int max_active_blocks = 0; + cudaOccupancyMaxActiveBlocksPerMultiprocessor( + &max_active_blocks, LayerNormParamGradStep1, block_size, 0); + int waves = 1; + int dev; + cudaGetDevice(&dev); + int sm_count; + cudaDeviceGetAttribute(&sm_count, cudaDevAttrMultiProcessorCount, dev); + int num_blocks = max_active_blocks * sm_count * waves; + int grid_dim_y = std::min(max_grid_dim_y, static_cast(num_blocks / grid_dim_x)); + return std::max(grid_dim_y, 1); +} + +template +void HostLayerNormGradient(const V* dout, const U* mean, const U* invvar, at::Tensor* input, int n1, + int n2, const V* gamma, const V* beta, double epsilon, T* grad_input, + V* grad_gamma, V* grad_beta) { + auto stream = at::cuda::getCurrentCUDAStream().stream(); + + if (gamma != NULL && beta != NULL) { + // compute grad_gamma(j) and grad_beta(j) + const int part_size = GetGirdDimY(n1, n2); + const int grid_dim_x = (n2 + tile_size - 1) / tile_size; + const int grid_dim_y = part_size; + + at::Tensor part_grad_gamma = at::empty({part_size, n2}, input->options().dtype(at::ScalarType::Float)); + at::Tensor part_grad_beta = at::empty_like(part_grad_gamma); + LayerNormParamGradStep1<<>>( + n1, n2, dout, input->DATA_PTR(), mean, invvar, part_grad_gamma.DATA_PTR(), part_grad_beta.DATA_PTR() + ); + + const dim3 threads3(32, 8, 1); + const dim3 blocks3((n2 + 32 - 1) / 32, 1, 1); + const int nshared3 = threads3.x * threads3.y * sizeof(U); + LayerNormParamGradStep2<<>>( + part_grad_gamma.DATA_PTR(), part_grad_beta.DATA_PTR(), part_size, n1, n2, + grad_gamma, grad_beta); + } + + const uint64_t maxGridY = at::cuda::getCurrentDeviceProperties()->maxGridSize[1]; + #define BlockDim 128 + int WarpNumPerBlock = BlockDim / WarpSize; + const dim3 threads1(BlockDim); + int nshared = sizeof(float)*n2*(WarpNumPerBlock*2 + 1); + + int max_active_blocks = 0; + cudaOccupancyMaxActiveBlocksPerMultiprocessor( + &max_active_blocks, LayerNormInputGrad, BlockDim, nshared); + int dev; + cudaGetDevice(&dev); + int sm_count; + cudaDeviceGetAttribute(&sm_count, cudaDevAttrMultiProcessorCount, dev); + + const dim3 blocks1(std::min((uint64_t)((n1 + WarpNumPerBlock - 1)/WarpNumPerBlock), (uint64_t)(max_active_blocks * sm_count))); + LayerNormInputGrad<<>>(dout, input->DATA_PTR(), n1, n2, mean, invvar, U(epsilon), gamma, grad_input); +} + +void cuda_layer_norm_gradient(at::Tensor* dout, at::Tensor* mean, at::Tensor* invvar, + at::Tensor* input, int n1, int n2, at::IntArrayRef normalized_shape, + at::Tensor* gamma, at::Tensor* beta, double epsilon, + at::Tensor* grad_input, at::Tensor* grad_gamma, + at::Tensor* grad_beta) { + using namespace at; + DISPATCH_FLOAT_HALF_AND_BFLOAT_INOUT_TYPES( + input->scalar_type(), gamma->scalar_type(), "cuda_layer_norm_gradient_kernel", + HostLayerNormGradient(dout->DATA_PTR(), mean->DATA_PTR(), + invvar->DATA_PTR(), input, n1, n2, + // TMJ pass NULL argument for gamma, beta, grad_gamma and grad_beta + // if gamma Tensor is NULL on input. + gamma != NULL ? gamma->DATA_PTR() : NULL, + gamma != NULL ? beta->DATA_PTR() : NULL, epsilon, + grad_input->DATA_PTR(), + gamma != NULL ? grad_gamma->DATA_PTR() : NULL, + gamma != NULL ? grad_beta->DATA_PTR() : NULL);) +} \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/type_shim.h b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/type_shim.h new file mode 100644 index 0000000000000000000000000000000000000000..c5a8b8c867b4b77636f6b5acde50f51c2cde61be --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/kernel/type_shim.h @@ -0,0 +1,246 @@ +// modified from https://github.com/NVIDIA/apex +// Copyright 2021- HPC-AI Technology Inc. +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. + +#include + +#include "compat.h" + +#define DISPATCH_HALF_AND_BFLOAT(TYPE, NAME, ...) \ + switch (TYPE) { \ + case at::ScalarType::Half: { \ + using scalar_t = at::Half; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::BFloat16: { \ + using scalar_t = at::BFloat16; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPE), "'"); \ + } + +#define DISPATCH_FLOAT_HALF_AND_BFLOAT_INOUT_TYPES(TYPEIN, TYPEOUT, NAME, ...) \ + switch (TYPEIN) { \ + case at::ScalarType::Float: { \ + using scalar_t_in = float; \ + switch (TYPEOUT) { \ + case at::ScalarType::Float: { \ + using scalar_t_out = float; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Half: { \ + using scalar_t_out = at::Half; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::BFloat16: { \ + using scalar_t_out = at::BFloat16; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPEOUT), "'"); \ + } \ + break; \ + } \ + case at::ScalarType::Half: { \ + using scalar_t_in = at::Half; \ + using scalar_t_out = at::Half; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::BFloat16: { \ + using scalar_t_in = at::BFloat16; \ + using scalar_t_out = at::BFloat16; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPEIN), "'"); \ + } + +// Forward/backward compatiblity hack around +// https://github.com/pytorch/pytorch/commit/3aeb78079bcd68282fe9117088e138b77318e288 +// pending more future-proof guidance from upstream. +// struct TypeShim +// { +// const at::Type& payload; +// TypeShim(const at::Type& type) : payload(type) {} +// // Enable trivial conversion to a const at::Type& for pre-3aeb78 +// operator const at::Type&(){ return payload; }; +// // Enable dispatch switch statements to take *this directly for post-3aeb78 +// //operator at::ScalarType(){ return payload.; }; +// }; + +#define DISPATCH_FLOAT_AND_HALF(TYPE, LEVEL, NAME, ...) \ + switch (TYPE) { \ + case at::ScalarType::Float: { \ + using scalar_t_##LEVEL = float; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Half: { \ + using scalar_t_##LEVEL = at::Half; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPE), "'"); \ + } + +#define DISPATCH_FLOAT_HALF_AND_BYTE(TYPE, LEVEL, NAME, ...) \ + switch (TYPE) { \ + case at::ScalarType::Float: { \ + using scalar_t_##LEVEL = float; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Half: { \ + using scalar_t_##LEVEL = at::Half; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Byte: { \ + using scalar_t_##LEVEL = uint8_t; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPE), "'"); \ + } + +#define DISPATCH_DOUBLE_FLOAT_AND_HALF(TYPE, LEVEL, NAME, ...) \ + switch (TYPE) { \ + case at::ScalarType::Double: { \ + using scalar_t_##LEVEL = double; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Float: { \ + using scalar_t_##LEVEL = float; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Half: { \ + using scalar_t_##LEVEL = at::Half; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPE), "'"); \ + } + +#define DISPATCH_DOUBLE_AND_FLOAT(TYPE, LEVEL, NAME, ...) \ + switch (TYPE) { \ + case at::ScalarType::Double: { \ + using scalar_t_##LEVEL = double; \ + __VA_ARGS__; \ + break; \ + } \ + case at::ScalarType::Float: { \ + using scalar_t_##LEVEL = float; \ + __VA_ARGS__; \ + break; \ + } \ + default: \ + AT_ERROR(#NAME, " not implemented for '", toString(TYPE), "'"); \ + } + +template +__device__ __forceinline__ T +reduce_block_into_lanes(T *x, T val, int lanes = 1, + bool share_result = false) // lanes is intended to be <= 32. +{ + int tid = threadIdx.x + threadIdx.y * blockDim.x; + int blockSize = blockDim.x * blockDim.y; // blockSize is intended to be a multiple of 32. + + if (blockSize >= 64) { + x[tid] = val; + __syncthreads(); + } + +#pragma unroll + for (int i = (blockSize >> 1); i >= 64; i >>= 1) { + if (tid < i) x[tid] = x[tid] + x[tid + i]; + __syncthreads(); + } + + T final; + + if (tid < 32) { + if (blockSize >= 64) + final = x[tid] + x[tid + 32]; + else + final = val; + // __SYNCWARP(); + +#pragma unroll + for (int i = 16; i >= lanes; i >>= 1) + final = final + __shfl_down_sync(0xffffffff, final, i); + } + + if (share_result) { + if (tid < lanes) x[tid] = final; // EpilogueOp + // Make sure the smem result is visible to all warps. + __syncthreads(); + } + + return final; +} + +template +__device__ __forceinline__ T +reduce_block_into_lanes_max_op(T *x, T val, int lanes = 1, + bool share_result = false) // lanes is intended to be <= 32. +{ + int tid = threadIdx.x + threadIdx.y * blockDim.x; + int blockSize = blockDim.x * blockDim.y; // blockSize is intended to be a multiple of 32. + + if (blockSize >= 64) { + x[tid] = val; + __syncthreads(); + } + +#pragma unroll + for (int i = (blockSize >> 1); i >= 64; i >>= 1) { + if (tid < i) x[tid] = fmaxf(fabsf(x[tid]), fabsf(x[tid + i])); + __syncthreads(); + } + + T final; + + if (tid < 32) { + if (blockSize >= 64) + final = fmaxf(fabsf(x[tid]), fabsf(x[tid + 32])); + else + final = val; + // __SYNCWARP(); + +#pragma unroll + for (int i = 16; i >= lanes; i >>= 1) + final = fmaxf(fabsf(final), fabsf(__shfl_down_sync(0xffffffff, final, i))); + } + + if (share_result) { + if (tid < lanes) x[tid] = final; // EpilogueOp + // Make sure the smem result is visible to all warps. + __syncthreads(); + } + + return final; +} \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/layer_norm.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/layer_norm.py new file mode 100644 index 0000000000000000000000000000000000000000..cc992fa2b17ccadf4944297cd155cb8c8e8396b4 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/layer_norm.py @@ -0,0 +1,134 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Copyright 2021- HPC-AI Technology Inc. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http:#www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import importlib +import numbers +import os +import sys +import time + +import torch +from torch.nn.parameter import Parameter + +sys.path.append(os.path.dirname(__file__)) + +try: + fastfold_layer_norm_cuda = importlib.import_module("fastfold_layer_norm_cuda") +except ImportError: + from protenix.model.layer_norm.torch_ext_compile import compile + + current_dir = os.path.dirname(__file__) + fastfold_layer_norm_cuda = compile( + name="fastfold_layer_norm_cuda", + sources=[ + os.path.join(f"{current_dir}/kernel", file) + for file in ["layer_norm_cuda.cpp", "layer_norm_cuda_kernel.cu"] + ], + extra_include_paths=[f"{current_dir}/kernel"], + build_directory=current_dir, + ) + + +class FusedLayerNormAffineFunction(torch.autograd.Function): + + @staticmethod + def forward(ctx, input, weight, bias, normalized_shape, eps): + d = input.dtype + if d is torch.bfloat16: + with torch.cuda.amp.autocast(enabled=False): + ctx.normalized_shape = normalized_shape + ctx.eps = eps + input_ = input.contiguous() + weight_ = weight.contiguous().to(dtype=d) + bias_ = bias.contiguous().to(dtype=d) + output, mean, invvar = fastfold_layer_norm_cuda.forward_affine( + input_, ctx.normalized_shape, weight_, bias_, ctx.eps + ) + ctx.save_for_backward(input_, weight_, bias_, mean, invvar) + else: + ctx.normalized_shape = normalized_shape + ctx.eps = eps + input_ = input.contiguous() + weight_ = weight.contiguous() + bias_ = bias.contiguous() + output, mean, invvar = fastfold_layer_norm_cuda.forward_affine( + input_, ctx.normalized_shape, weight_, bias_, ctx.eps + ) + ctx.save_for_backward(input_, weight_, bias_, mean, invvar) + + return output + + @staticmethod + def backward(ctx, grad_output): + d = grad_output.dtype + if d is torch.bfloat16: + with torch.cuda.amp.autocast(enabled=False): + input_, weight_, bias_, mean, invvar = ctx.saved_tensors + grad_input = grad_weight = grad_bias = None + grad_input, grad_weight, grad_bias = ( + fastfold_layer_norm_cuda.backward_affine( + grad_output.contiguous(), + mean, + invvar, + input_, + ctx.normalized_shape, + weight_.to(dtype=d), + bias_.to(dtype=d), + ctx.eps, + ) + ) + else: + input_, weight_, bias_, mean, invvar = ctx.saved_tensors + grad_input = grad_weight = grad_bias = None + grad_input, grad_weight, grad_bias = ( + fastfold_layer_norm_cuda.backward_affine( + grad_output.contiguous(), + mean, + invvar, + input_, + ctx.normalized_shape, + weight_, + bias_, + ctx.eps, + ) + ) + + return grad_input, grad_weight, grad_bias, None, None + + +class FusedLayerNorm(torch.nn.Module): + + def __init__(self, normalized_shape, eps=1e-5): + super(FusedLayerNorm, self).__init__() + + if isinstance(normalized_shape, numbers.Integral): + normalized_shape = (normalized_shape,) + self.normalized_shape = torch.Size(normalized_shape) + self.eps = eps + self.weight = Parameter(torch.ones(*normalized_shape)) + self.bias = Parameter(torch.ones(*normalized_shape)) + self.reset_parameters() + + def reset_parameters(self): + torch.nn.init.ones_(self.weight) + torch.nn.init.zeros_(self.bias) + + def forward(self, input): + return self.kernel_forward(input) + + def kernel_forward(self, input): + return FusedLayerNormAffineFunction.apply( + input, self.weight, self.bias, self.normalized_shape, self.eps + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/torch_ext_compile.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/torch_ext_compile.py new file mode 100644 index 0000000000000000000000000000000000000000..7d14272a86d2a7e7a6509b934b9f938cdc06452c --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/layer_norm/torch_ext_compile.py @@ -0,0 +1,55 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os + +from torch.utils.cpp_extension import load + + +def compile(name, sources, extra_include_paths, build_directory): + os.environ["TORCH_CUDA_ARCH_LIST"] = "7.0;8.0" + return load( + name=name, + sources=sources, + extra_include_paths=extra_include_paths, + extra_cflags=[ + "-O3", + "-DVERSION_GE_1_1", + "-DVERSION_GE_1_3", + "-DVERSION_GE_1_5", + ], + extra_cuda_cflags=[ + "-O3", + "--use_fast_math", + "-DVERSION_GE_1_1", + "-DVERSION_GE_1_3", + "-DVERSION_GE_1_5", + "-std=c++17", + "-maxrregcount=50", + "-U__CUDA_NO_HALF_OPERATORS__", + "-U__CUDA_NO_HALF_CONVERSIONS__", + "--expt-relaxed-constexpr", + "--expt-extended-lambda", + "-gencode", + "arch=compute_70,code=sm_70", + "-gencode", + "arch=compute_80,code=sm_80", + "-gencode", + "arch=compute_86,code=sm_86", + "-gencode", + "arch=compute_90,code=sm_90", + ], + verbose=True, + build_directory=build_directory, + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/loss.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/loss.py new file mode 100644 index 0000000000000000000000000000000000000000..3471d5b087e96f48a27144d8cb644d9576e0e69f --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/loss.py @@ -0,0 +1,1812 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import logging +from typing import Any, Optional, Union + +import torch +import torch.nn as nn +import torch.nn.functional as F + +from protenix.metrics.rmsd import weighted_rigid_align +from protenix.model.modules.frames import ( + expressCoordinatesInFrame, + gather_frame_atom_by_indices, +) +from protenix.model.utils import expand_at_dim +from protenix.openfold_local.utils.checkpointing import get_checkpoint_fn +from protenix.utils.torch_utils import cdist + + +def loss_reduction(loss: torch.Tensor, method: str = "mean") -> torch.Tensor: + """reduction wrapper + + Args: + loss (torch.Tensor): loss + [...] + method (str, optional): reduction method. Defaults to "mean". + + Returns: + torch.Tensor: reduced loss + [] or [...] + """ + + if method is None: + return loss + assert method in ["mean", "sum", "add", "max", "min"] + if method == "add": + method = "sum" + return getattr(torch, method)(loss) + + +class SmoothLDDTLoss(nn.Module): + """ + Implements Algorithm 27 [SmoothLDDTLoss] in AF3 + """ + + def __init__( + self, + eps: float = 1e-10, + reduction: str = "mean", + ) -> None: + """SmoothLDDTLoss + + Args: + eps (float, optional): avoid nan. Defaults to 1e-10. + reduction (str, optional): reduction method for the batch dims. Defaults to mean. + """ + super(SmoothLDDTLoss, self).__init__() + self.eps = eps + self.reduction = reduction + + def _chunk_forward(self, pred_distance, true_distance, c_lm=None): + dist_diff = torch.abs(pred_distance - true_distance) + # For save cuda memory we use inplace op + dist_diff_epsilon = 0 + for threshold in [0.5, 1, 2, 4]: + dist_diff_epsilon += 0.25 * torch.sigmoid(threshold - dist_diff) + + # Compute mean + if c_lm is not None: + lddt = torch.sum(c_lm * dist_diff_epsilon, dim=(-1, -2)) / ( + torch.sum(c_lm, dim=(-1, -2)) + self.eps + ) # [..., N_sample] + else: + # It's for sparse forward mode + lddt = torch.mean(dist_diff_epsilon, dim=-1) + return lddt + + def forward( + self, + pred_distance: torch.Tensor, + true_distance: torch.Tensor, + distance_mask: torch.Tensor, + lddt_mask: torch.Tensor, + diffusion_chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """SmoothLDDTLoss + + Args: + pred_distance (torch.Tensor): the diffusion denoised atom-atom distance + [..., N_sample, N_atom, N_atom] + true_distance (torch.Tensor): the ground truth coordinates + [..., N_atom, N_atom] + distance_mask (torch.Tensor): whether true coordinates exist. + [N_atom, N_atom] + lddt_mask (torch.Tensor, optional): whether true distance is within radius (30A for nuc and 15A for others) + [N_atom, N_atom] + diffusion_chunk_size (Optional[int]): Chunk size over the N_sample dimension. Defaults to None. + + Returns: + torch.Tensor: the smooth lddt loss + [...] if reduction is None else [] + """ + c_lm = lddt_mask.bool().unsqueeze(dim=-3).detach() # [..., 1, N_atom, N_atom] + # Compute distance error + # [..., N_sample , N_atom, N_atom] + if diffusion_chunk_size is None: + lddt = self._chunk_forward( + pred_distance=pred_distance, true_distance=true_distance, c_lm=c_lm + ) + else: + # Default use checkpoint for saving memory + checkpoint_fn = get_checkpoint_fn() + lddt = [] + N_sample = pred_distance.shape[-3] + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + for i in range(no_chunks): + lddt_i = checkpoint_fn( + self._chunk_forward, + pred_distance[ + ..., + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, + :, + :, + ], + true_distance, + c_lm, + ) + lddt.append(lddt_i) + lddt = torch.cat(lddt, dim=-1) + + lddt = lddt.mean(dim=-1) # [...] + return 1 - loss_reduction(lddt, method=self.reduction) + + def sparse_forward( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + lddt_mask: torch.Tensor, + diffusion_chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """SmoothLDDTLoss sparse implementation + + Args: + pred_coordinate (torch.Tensor): the diffusion denoised atom coordinates + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): the ground truth atom coordinates + [..., N_atom, 3] + lddt_mask (torch.Tensor, optional): whether true distance is within radius (30A for nuc and 15A for others) + [N_atom, N_atom] + diffusion_chunk_size (Optional[int]): Chunk size over the N_sample dimension. Defaults to None. + + Returns: + torch.Tensor: the smooth lddt loss + [...] if reduction is None else [] + """ + lddt_indices = torch.nonzero(lddt_mask, as_tuple=True) + true_coords_l = true_coordinate.index_select(-2, lddt_indices[0]) + true_coords_m = true_coordinate.index_select(-2, lddt_indices[1]) + true_distance_sparse_lm = torch.norm(true_coords_l - true_coords_m, p=2, dim=-1) + if diffusion_chunk_size is None: + pred_coords_l = pred_coordinate.index_select(-2, lddt_indices[0]) + pred_coords_m = pred_coordinate.index_select(-2, lddt_indices[1]) + # \delta x_{lm} and \delta x_{lm}^{GT} in the Algorithm 27 + pred_distance_sparse_lm = torch.norm( + pred_coords_l - pred_coords_m, p=2, dim=-1 + ) + lddt = self._chunk_forward( + pred_distance_sparse_lm, true_distance_sparse_lm, c_lm=None + ) + else: + checkpoint_fn = get_checkpoint_fn() + lddt = [] + N_sample = pred_coordinate.shape[-3] + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + for i in range(no_chunks): + pred_coords_i_l = pred_coordinate[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, :, : + ].index_select(-2, lddt_indices[0]) + pred_coords_i_m = pred_coordinate[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, :, : + ].index_select(-2, lddt_indices[1]) + + # \delta x_{lm} and \delta x_{lm}^{GT} in the Algorithm 27 + pred_distance_sparse_i_lm = torch.norm( + pred_coords_i_l - pred_coords_i_m, p=2, dim=-1 + ) + lddt_i = checkpoint_fn( + self._chunk_forward, + pred_distance_sparse_i_lm, + true_distance_sparse_lm, + ) + lddt.append(lddt_i) + lddt = torch.cat(lddt, dim=-1) + + lddt = lddt.mean(dim=-1) # [...] + return 1 - loss_reduction(lddt, method=self.reduction) + + def dense_forward( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + lddt_mask: torch.Tensor, + diffusion_chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """SmoothLDDTLoss sparse implementation + + Args: + pred_coordinate (torch.Tensor): the diffusion denoised atom coordinates + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): the ground truth atom coordinates + [..., N_atom, 3] + lddt_mask (torch.Tensor, optional): whether true distance is within radius (30A for nuc and 15A for others) + [N_atom, N_atom] + diffusion_chunk_size (Optional[int]): Chunk size over the N_sample dimension. Defaults to None. + + Returns: + torch.Tensor: the smooth lddt loss + [...] if reduction is None else [] + """ + c_lm = lddt_mask.bool().unsqueeze(dim=-3).detach() # [..., 1, N_atom, N_atom] + # Compute distance error + # [..., N_sample , N_atom, N_atom] + true_distance = torch.cdist(true_coordinate, true_coordinate) + if diffusion_chunk_size is None: + pred_distance = torch.cdist(pred_coordinate, pred_coordinate) + lddt = self._chunk_forward( + pred_distance=pred_distance, true_distance=true_distance, c_lm=c_lm + ) + else: + checkpoint_fn = get_checkpoint_fn() + lddt = [] + N_sample = pred_coordinate.shape[-3] + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + for i in range(no_chunks): + pred_distance_i = torch.cdist( + pred_coordinate[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, + :, + :, + ], + pred_coordinate[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, + :, + :, + ], + ) + lddt_i = checkpoint_fn( + self._chunk_forward, + pred_distance_i, + true_distance, + c_lm, + ) + lddt.append(lddt_i) + lddt = torch.cat(lddt, dim=-1) + + lddt = lddt.mean(dim=-1) # [...] + return 1 - loss_reduction(lddt, method=self.reduction) + + +class BondLoss(nn.Module): + """ + Implements Formula 5 [BondLoss] in AF3 + """ + + def __init__(self, eps: float = 1e-6, reduction: str = "mean") -> None: + """BondLoss + + Args: + eps (float, optional): avoid nan. Defaults to 1e-6. + reduction (str, optional): reduction method for the batch dims. Defaults to mean. + """ + super(BondLoss, self).__init__() + self.eps = eps + self.reduction = reduction + + def _chunk_forward(self, pred_distance, true_distance, bond_mask): + # Distance squared error + # [..., N_sample , N_atom, N_atom] + dist_squared_err = (pred_distance - true_distance.unsqueeze(dim=-3)) ** 2 + bond_loss = torch.sum(dist_squared_err * bond_mask, dim=(-1, -2)) / torch.sum( + bond_mask + self.eps, dim=(-1, -2) + ) # [..., N_sample] + return bond_loss + + def forward( + self, + pred_distance: torch.Tensor, + true_distance: torch.Tensor, + distance_mask: torch.Tensor, + bond_mask: torch.Tensor, + per_sample_scale: torch.Tensor = None, + diffusion_chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """BondLoss + + Args: + pred_distance (torch.Tensor): the diffusion denoised atom-atom distance + [..., N_sample, N_atom, N_atom] + true_distance (torch.Tensor): the ground truth coordinates + [..., N_atom, N_atom] + distance_mask (torch.Tensor): whether true coordinates exist. + [N_atom, N_atom] or [..., N_atom, N_atom] + bond_mask (torch.Tensor): bonds considered in this loss + [N_atom, N_atom] or [..., N_atom, N_atom] + per_sample_scale (torch.Tensor, optional): whether to scale the loss by the per-sample noise-level. + [..., N_sample] + diffusion_chunk_size (Optional[int]): Chunk size over the N_sample dimension. Defaults to None. + + Returns: + torch.Tensor: the bond loss + [...] if reduction is None else [] + """ + + bond_mask = (bond_mask * distance_mask).unsqueeze( + dim=-3 + ) # [1, N_atom, N_atom] or [..., 1, N_atom, N_atom] + # Bond Loss + if diffusion_chunk_size is None: + bond_loss = self._chunk_forward( + pred_distance=pred_distance, + true_distance=true_distance, + bond_mask=bond_mask, + ) + else: + checkpoint_fn = get_checkpoint_fn() + bond_loss = [] + N_sample = pred_distance.shape[-3] + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + for i in range(no_chunks): + bond_loss_i = checkpoint_fn( + self._chunk_forward, + pred_distance[ + ..., + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, + :, + :, + ], + true_distance, + bond_mask, + ) + bond_loss.append(bond_loss_i) + bond_loss = torch.cat(bond_loss, dim=-1) + if per_sample_scale is not None: + bond_loss = bond_loss * per_sample_scale + + bond_loss = bond_loss.mean(dim=-1) # [...] + return loss_reduction(bond_loss, method=self.reduction) + + def sparse_forward( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + distance_mask: torch.Tensor, + bond_mask: torch.Tensor, + per_sample_scale: torch.Tensor = None, + ) -> torch.Tensor: + """BondLoss sparse implementation + + Args: + pred_coordinate (torch.Tensor): the diffusion denoised atom coordinates + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): the ground truth atom coordinates + [..., N_atom, 3] + distance_mask (torch.Tensor): whether true coordinates exist. + [N_atom, N_atom] or [..., N_atom, N_atom] + bond_mask (torch.Tensor): bonds considered in this loss + [N_atom, N_atom] or [..., N_atom, N_atom] + per_sample_scale (torch.Tensor, optional): whether to scale the loss by the per-sample noise-level. + [..., N_sample] + Returns: + torch.Tensor: the bond loss + [...] if reduction is None else [] + """ + + bond_mask = bond_mask * distance_mask + bond_indices = torch.nonzero(bond_mask, as_tuple=True) + pred_coords_i = pred_coordinate.index_select(-2, bond_indices[0]) + pred_coords_j = pred_coordinate.index_select(-2, bond_indices[1]) + true_coords_i = true_coordinate.index_select(-2, bond_indices[0]) + true_coords_j = true_coordinate.index_select(-2, bond_indices[1]) + + pred_distance_sparse = torch.norm(pred_coords_i - pred_coords_j, p=2, dim=-1) + true_distance_sparse = torch.norm(true_coords_i - true_coords_j, p=2, dim=-1) + dist_squared_err_sparse = (pred_distance_sparse - true_distance_sparse) ** 2 + # Protecting special data that has size: tensor([], size=(x, 0), grad_fn=) + if dist_squared_err_sparse.numel() == 0: + return torch.tensor( + 0.0, device=dist_squared_err_sparse.device, requires_grad=True + ) + bond_loss = torch.mean(dist_squared_err_sparse, dim=-1) # [..., N_sample] + if per_sample_scale is not None: + bond_loss = bond_loss * per_sample_scale + + bond_loss = bond_loss.mean(dim=-1) # [...] + return bond_loss + + +def compute_lddt_mask( + true_distance: torch.Tensor, + distance_mask: torch.Tensor, + is_nucleotide: torch.Tensor, + is_nucleotide_threshold: float = 30.0, + is_not_nucleotide_threshold: float = 15.0, +) -> torch.Tensor: + """calculate the atom pair mask with the bespoke radius + + Args: + true_distance (torch.Tensor): the ground truth coordinates + [..., N_atom, N_atom] + distance_mask (torch.Tensor): whether true coordinates exist. + [..., N_atom, N_atom] or [N_atom, N_atom] + is_nucleotide (torch.Tensor): Indicator for nucleotide atoms. + [..., N_atom] or [N_atom] + is_nucleotide_threshold (float): Threshold distance for nucleotide atoms. Defaults to 30.0. + is_not_nucleotide_threshold (float): Threshold distance for non-nucleotide atoms. Defaults to 15.0. + + Returns: + c_lm (torch.Tenson): the atom pair mask c_lm, not symmetric + [..., N_atom, N_atom] + """ + # Restrict to bespoke inclusion radius + is_nucleotide_mask = is_nucleotide.bool() + c_lm = (true_distance < is_nucleotide_threshold) * is_nucleotide_mask[..., None] + ( + true_distance < is_not_nucleotide_threshold + ) * ( + ~is_nucleotide_mask[..., None] + ) # [..., N_atom, N_atom] + + # Zero-out diagonals of c_lm and cast to float + c_lm = c_lm * ( + 1 - torch.eye(n=c_lm.size(-1), device=c_lm.device, dtype=true_distance.dtype) + ) + # Zero-out atom pairs without true coordinates + # Note: the sparsity of c_lm is ~10% in 5000 atom-pairs, + # and becomes more sparse as the number of atoms increases, + # change to sparse implementation can reduce cuda memory + c_lm = c_lm * distance_mask # [..., N_atom, N_atom] + return c_lm + + +def softmax_cross_entropy(logits: torch.Tensor, labels: torch.Tensor) -> torch.Tensor: + """Softmax cross entropy + + Args: + logits (torch.Tensor): classification logits + [..., num_class] + labels (torch.Tensor): classification labels (value = probability) + [..., num_class] + + Returns: + torch.Tensor: softmax cross entropy + [...] + """ + loss = -1 * torch.sum( + labels * F.log_softmax(logits, dim=-1), + dim=-1, + ) + return loss + + +class DistogramLoss(nn.Module): + """ + Implements DistogramLoss in AF3 + """ + + def __init__( + self, + min_bin: float = 2.3125, + max_bin: float = 21.6875, + no_bins: int = 64, + eps: float = 1e-6, + reduction: str = "mean", + ) -> None: + """Distogram loss + This head and loss are identical to AlphaFold 2, where the pairwise token distances use the representative atom for each token: + Cβ for protein residues (Cα for glycine), + C4 for purines and C2 for pyrimidines. + All ligands already have a single atom per token. + + Args: + min_bin (float, optional): min boundary of bins. Defaults to 2.3125. + max_bin (float, optional): max boundary of bins. Defaults to 21.6875. + no_bins (int, optional): number of bins. Defaults to 64. + eps (float, optional): small number added to denominator. Defaults to 1e-6. + reduce (bool, optional): reduce dim. Defaults to True. + """ + super(DistogramLoss, self).__init__() + self.min_bin = min_bin + self.max_bin = max_bin + self.no_bins = no_bins + self.eps = eps + self.reduction = reduction + + def calculate_label( + self, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + rep_atom_mask: torch.Tensor, + ) -> tuple[torch.Tensor, torch.Tensor]: + """calculate the label as bins + + Args: + true_coordinate (torch.Tensor): true coordinates. + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist. + [N_atom] or [..., N_atom] + rep_atom_mask (torch.Tensor): representative atom mask + [N_atom] + + Returns: + true_bins (torch.Tensor): distance error assigned into bins (one-hot). + [..., N_token, N_token, no_bins] + pair_coordinate_mask (torch.Tensor): whether the coordinates of representative atom pairs exist. + [N_token, N_token] or [..., N_token, N_token] + """ + + boundaries = torch.linspace( + start=self.min_bin, + end=self.max_bin, + steps=self.no_bins - 1, + device=true_coordinate.device, + ) + + # Compute label: the true bins + # True distance + rep_atom_mask = rep_atom_mask.bool() + true_coordinate = true_coordinate[..., rep_atom_mask, :] # [..., N_token, 3] + gt_dist = cdist(true_coordinate, true_coordinate) # [..., N_token, N_token] + # Assign distance to bins + true_bins = torch.sum( + gt_dist.unsqueeze(dim=-1) > boundaries, dim=-1 + ) # range in [0, no_bins-1], shape = [..., N_token, N_token] + + # Mask + token_mask = coordinate_mask[..., rep_atom_mask] + pair_mask = token_mask[..., None] * token_mask[..., None, :] + + return F.one_hot(true_bins, self.no_bins), pair_mask + + def forward( + self, + logits: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + rep_atom_mask: torch.Tensor, + ) -> torch.Tensor: + """Distogram loss + + Args: + logits (torch.Tensor): logits. + [..., N_token, N_token, no_bins] + true_coordinate (torch.Tensor): true coordinates. + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist. + [N_atom] or [..., N_atom] + rep_atom_mask (torch.Tensor): representative atom mask. + [N_atom] + + Returns: + torch.Tensor: the return loss. + [...] if self.reduction is not None else [] + """ + + with torch.no_grad(): + true_bins, pair_mask = self.calculate_label( + true_coordinate=true_coordinate, + coordinate_mask=coordinate_mask, + rep_atom_mask=rep_atom_mask, + ) + + errors = softmax_cross_entropy( + logits=logits, + labels=true_bins, + ) # [..., N_token, N_token] + + denom = self.eps + torch.sum(pair_mask, dim=(-1, -2)) + loss = torch.sum(errors * pair_mask, dim=(-1, -2)) + loss = loss / denom + + return loss_reduction(loss, method=self.reduction) + + +class PDELoss(nn.Module): + """ + Implements Predicted distance loss in AF3 + """ + + def __init__( + self, + min_bin: float = 0, + max_bin: float = 32, + no_bins: int = 64, + eps: float = 1e-6, + reduction: str = "mean", + ) -> None: + """PDELoss + This loss are between representative token atoms i and j in the mini-rollout prediction + + Args: + min_bin (float, optional): min boundary of bins. Defaults to 0. + max_bin (float, optional): max boundary of bins. Defaults to 32. + no_bins (int, optional): number of bins. Defaults to 64. + eps (float, optional): small number added to denominator. Defaults to 1e-6. + reduction (str, optional): reduction method for the batch dims. Defaults to mean. + """ + super(PDELoss, self).__init__() + self.min_bin = min_bin + self.max_bin = max_bin + self.no_bins = no_bins + self.eps = eps + self.reduction = reduction + + def calculate_label( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + rep_atom_mask: torch.Tensor, + ) -> tuple[torch.Tensor, torch.Tensor]: + """calculate the label as bins + + Args: + pred_coordinate (torch.Tensor): predicted coordinates. + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): true coordinates. + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist. + [N_atom] or [..., N_atom] + rep_atom_mask (torch.Tensor): + [N_atom] + + Returns: + true_bins (torch.Tensor): distance error assigned into bins (one-hot). + [..., N_sample, N_token, N_token, no_bins] + pair_coordinate_mask (torch.Tensor): whether the coordinates of representative atom pairs exist. + [N_token, N_token] or [..., N_token, N_token] + """ + + boundaries = torch.linspace( + start=self.min_bin, + end=self.max_bin, + steps=self.no_bins + 1, + device=pred_coordinate.device, + ) + + # Compute label: the true bins + # True distance + rep_atom_mask = rep_atom_mask.bool() + true_coordinate = true_coordinate[..., rep_atom_mask, :] # [..., N_token, 3] + gt_dist = cdist(true_coordinate, true_coordinate) # [..., N_token, N_token] + # Predicted distance + pred_coordinate = pred_coordinate[..., rep_atom_mask, :] + pred_dist = cdist( + pred_coordinate, pred_coordinate + ) # [..., N_sample, N_token, N_token] + # Distance error + dist_error = torch.abs(pred_dist - gt_dist.unsqueeze(dim=-3)) + + # Assign distance error to bins + true_bins = torch.sum( + dist_error.unsqueeze(dim=-1) > boundaries, dim=-1 + ) # range in [1, no_bins + 1], shape = [..., N_sample, N_token, N_token] + true_bins = torch.clamp( + true_bins, min=1, max=self.no_bins + ) # just in case bin=0 occurs + + # Mask + token_mask = coordinate_mask[..., rep_atom_mask] + pair_mask = token_mask[..., None] * token_mask[..., None, :] + + return F.one_hot(true_bins - 1, self.no_bins).detach(), pair_mask.detach() + + def forward( + self, + logits: torch.Tensor, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + rep_atom_mask: torch.Tensor, + ) -> torch.Tensor: + """PDELoss + + Args: + logits (torch.Tensor): logits + [..., N_sample, N_token, N_token, no_bins] + pred_coordinate: (torch.Tensor): predict coordinates + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): true coordinates + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist + [N_atom] or [..., N_atom] + rep_atom_mask (torch.Tensor): representative atom mask for this loss + [N_atom] + + Returns: + torch.Tensor: the return loss + [...] if reduction is None else [] + """ + + with torch.no_grad(): + true_bins, pair_mask = self.calculate_label( + pred_coordinate=pred_coordinate, + true_coordinate=true_coordinate, + coordinate_mask=coordinate_mask, + rep_atom_mask=rep_atom_mask, + ) + + errors = softmax_cross_entropy( + logits=logits, + labels=true_bins, + ) # [..., N_sample, N_token, N_token] + + denom = self.eps + torch.sum(pair_mask, dim=(-1, -2)) # [...] + loss = errors * pair_mask.unsqueeze(dim=-3) # [..., N_sample, N_token, N_token] + loss = torch.sum(loss, dim=(-1, -2)) # [..., N_sample] + loss = loss / denom.unsqueeze(dim=-1) # [..., N_sample] + loss = loss.mean(dim=-1) # [...] + + return loss_reduction(loss, method=self.reduction) + + +# Algorithm 30 Compute alignment error +def compute_alignment_error_squared( + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + pred_frames: torch.Tensor, + true_frames: torch.Tensor, +) -> torch.Tensor: + """Implements Algorithm 30 Compute alignment error, but do not take the square root + + Args: + pred_coordinate (torch.Tensor): the predict coords [frame center] + [..., N_sample, N_token, 3] + true_coordinate (torch.Tensor): the ground truth coords [frame center] + [..., N_token, 3] + pred_frames (torch.Tensor): the predict frame + [..., N_sample, N_frame, 3, 3] + true_frames (torch.Tensor): the ground truth frame + [..., N_frame, 3, 3] + + Returns: + torch.Tensor: the computed alignment error + [..., N_sample, N_frame, N_token] + """ + x_transformed_pred = expressCoordinatesInFrame( + coordinate=pred_coordinate, frames=pred_frames + ) # [..., N_sample, N_frame, N_token, 3] + x_transformed_true = expressCoordinatesInFrame( + coordinate=true_coordinate, frames=true_frames + ) # [..., N_frame, N_token, 3] + squared_pae = torch.sum( + (x_transformed_pred - x_transformed_true.unsqueeze(dim=-4)) ** 2, dim=-1 + ) # [..., N_sample, N_frame, N_token] + return squared_pae + + +class PAELoss(nn.Module): + """ + Implements Predicted Aligned distance loss in AF3 + """ + + def __init__( + self, + min_bin: float = 0, + max_bin: float = 32, + no_bins: int = 64, + eps: float = 1e-6, + reduction: str = "mean", + ) -> None: + """PAELoss + This loss are between representative token atoms i and j in the mini-rollout prediction + + Args: + min_bin (float, optional): min boundary of bins. Defaults to 0. + max_bin (float, optional): max boundary of bins. Defaults to 32. + no_bins (int, optional): number of bins. Defaults to 64. + eps (float, optional): small number added to denominator. Defaults to 1e-6. + reduce (bool, optional): reduce dim. Defaults to True. + """ + super(PAELoss, self).__init__() + self.min_bin = min_bin + self.max_bin = max_bin + self.no_bins = no_bins + self.eps = eps + self.reduction = reduction + + def calculate_label( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + rep_atom_mask: torch.Tensor, + frame_atom_index: torch.Tensor, + has_frame: torch.Tensor, + ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor]: + """calculate true PAE (squared) and true bins + + Args: + pred_coordinate: (torch.Tensor): predict coordinates. + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): true coordinates. + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist + [N_atom] + rep_atom_mask (torch.Tensor): masks of the representative atom for each token. + [N_atom] + frame_atom_index (torch.Tensor): indices of frame atoms (three atoms per token(=per frame)). + [N_token, 3[three atom]] + has_frame (torch.Tensor): indicates whether token_i has a valid frame. + [N_token] + Returns: + squared_pae (torch.Tensor): pairwise alignment error squared + [..., N_sample, N_frame, N_token] where N_token = rep_atom_mask.sum() + true_bins (torch.Tensor): the true bins + [..., N_sample, N_frame, N_token, no_bins] + frame_token_pair_mask (torch.Tensor): whether frame_i token_j both have true coordinates. + [N_frame, N_token] + """ + + coordinate_mask = coordinate_mask.bool() + rep_atom_mask = rep_atom_mask.bool() + has_frame = has_frame.bool() + + # NOTE: to support frame_atom_index with batch_dims, need to expand its dims before constructing frames. + assert len(frame_atom_index.shape) == 2 + + # Take valid frames: N_token -> N_frame + frame_atom_index = frame_atom_index[has_frame, :] # [N_frame, 3[three atom]] + + # Get predicted frames and true frames + pred_frames = gather_frame_atom_by_indices( + coordinate=pred_coordinate, frame_atom_index=frame_atom_index, dim=-2 + ) # [..., N_sample, N_frame, 3[three atom], 3[coordinates]] + true_frames = gather_frame_atom_by_indices( + coordinate=true_coordinate, frame_atom_index=frame_atom_index, dim=-2 + ) # [..., N_frame, 3[three atom], 3[coordinates]] + + # Get pair_mask for computing the loss + true_frame_coord_mask = gather_frame_atom_by_indices( + coordinate=coordinate_mask, frame_atom_index=frame_atom_index, dim=-1 + ) # [N_frame, 3[three atom]] + true_frame_coord_mask = ( + true_frame_coord_mask.sum(dim=-1) >= 3 + ) # [N_frame] whether all atoms in the frame has coordinates + token_mask = coordinate_mask[rep_atom_mask] # [N_token] + frame_token_pair_mask = ( + true_frame_coord_mask[..., None] * token_mask[..., None, :] + ) # [N_frame, N_token] + + squared_pae = ( + compute_alignment_error_squared( + pred_coordinate=pred_coordinate[..., rep_atom_mask, :], + true_coordinate=true_coordinate[..., rep_atom_mask, :], + pred_frames=pred_frames, + true_frames=true_frames, + ) + * frame_token_pair_mask + ) # [..., N_sample, N_frame, N_token] + + # Compute true bins + boundaries = torch.linspace( + start=self.min_bin, + end=self.max_bin, + steps=self.no_bins + 1, + device=pred_coordinate.device, + ) + boundaries = boundaries**2 + + true_bins = torch.sum( + squared_pae.unsqueeze(dim=-1) > boundaries, dim=-1 + ) # range [1, no_bins + 1] + true_bins = torch.where( + frame_token_pair_mask, + true_bins, + torch.ones_like(true_bins) * self.no_bins, + ) + true_bins = torch.clamp( + true_bins, min=1, max=self.no_bins + ) # just in case bin=0 occurs + + return ( + squared_pae.detach(), + F.one_hot(true_bins - 1, self.no_bins).detach(), + frame_token_pair_mask.detach(), + ) + + def forward( + self, + logits: torch.Tensor, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + frame_atom_index: torch.Tensor, + rep_atom_mask: torch.Tensor, + has_frame: torch.Tensor, + ) -> torch.Tensor: + """PAELoss + + Args: + logits (torch.Tensor): logits + [..., N_sample, N_token, N_token, no_bins] + pred_coordinate: (torch.Tensor): predict coordinates + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): true coordinates + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist + [N_atom] + rep_atom_mask (torch.Tensor): masks of the representative atom for each token. + [N_atom] + frame_atom_index (torch.Tensor): indices of frame atoms (three atoms per token(=per frame)). + [N_token, 3[three atom]] + has_frame (torch.Tensor): indicates whether token_i has a valid frame. + [N_token] + Returns: + torch.Tensor: the return loss + [] if reduce + [..., n] else + """ + + has_frame = has_frame.bool() + rep_atom_mask = rep_atom_mask.bool() + assert len(has_frame.shape) == 1 + assert len(frame_atom_index.shape) == 2 + + with torch.no_grad(): + # true_bins: [..., N_sample, N_frame, N_token, no_bins] + # pair_mask: [N_frame, N_token] + _, true_bins, pair_mask = self.calculate_label( + pred_coordinate=pred_coordinate, + true_coordinate=true_coordinate, + frame_atom_index=frame_atom_index, + rep_atom_mask=rep_atom_mask, + coordinate_mask=coordinate_mask, + has_frame=has_frame, + ) + + loss = softmax_cross_entropy( + logits=logits[ + ..., has_frame, :, : + ], # [..., N_sample, N_frame, N_token, no_bins] + labels=true_bins, + ) # [..., N_sample, N_frame, N_token] + + denom = self.eps + torch.sum(pair_mask, dim=(-1, -2)) # [] + loss = loss * pair_mask.unsqueeze(dim=-3) # [..., N_sample, N_token, N_token] + loss = torch.sum(loss, dim=(-1, -2)) # [..., N_sample] + loss = loss / denom.unsqueeze(dim=-1) # [..., N_sample] + loss = loss.mean(dim=-1) # [...] + + return loss_reduction(loss, self.reduction) + + +class ExperimentallyResolvedLoss(nn.Module): + def __init__( + self, + eps: float = 1e-6, + reduction: str = "mean", + ) -> None: + """ + Args: + eps (float, optional): avoid nan. Defaults to 1e-6. + """ + super(ExperimentallyResolvedLoss, self).__init__() + self.eps = eps + self.reduction = reduction + + def forward( + self, + logits: torch.Tensor, + coordinate_mask: torch.Tensor, + atom_mask: torch.Tensor = None, + ) -> torch.Tensor: + """ + Args: + logits (torch.Tensor): logits + [..., N_sample, N_atom, no_bins:=2] + coordinate_mask (torch.Tensor): whether true coordinates exist + [..., N_atom] | [N_atom] + atom_mask (torch.Tensor, optional): whether to conside the atom in the loss + [..., N_atom] + Returns: + torch.Tensor: the experimentally resolved loss + """ + is_resolved = F.one_hot( + coordinate_mask.long(), 2 + ) # [..., N_atom, 2] or [N_atom, 2] + errors = softmax_cross_entropy( + logits=logits, labels=is_resolved.unsqueeze(dim=-3) + ) # [..., N_sample, N_atom] + if atom_mask is None: + loss = errors.mean(dim=-1) # [..., N_sample] + else: + loss = torch.sum( + errors * atom_mask[..., None, :], dim=-1 + ) # [..., N_sample] + loss = loss / ( + self.eps + torch.sum(atom_mask[..., None, :], dim=-1) + ) # [..., N_sample] + + loss = loss.mean(dim=-1) # [...] + return loss_reduction(loss, method=self.reduction) + + +class MSELoss(nn.Module): + """ + Implements Formula 2-4 [MSELoss] in AF3 + """ + + def __init__( + self, + weight_mse: float = 1 / 3, + weight_dna: float = 5.0, + weight_rna=5.0, + weight_ligand=10.0, + eps=1e-6, + reduction: str = "mean", + ) -> None: + super(MSELoss, self).__init__() + self.weight_mse = weight_mse + self.weight_dna = weight_dna + self.weight_rna = weight_rna + self.weight_ligand = weight_ligand + self.eps = eps + self.reduction = reduction + + def weighted_rigid_align( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + is_dna: torch.Tensor, + is_rna: torch.Tensor, + is_ligand: torch.Tensor, + ) -> tuple[torch.Tensor, torch.Tensor]: + """compute weighted rigid alignment results + + Args: + pred_coordinate (torch.Tensor): the denoised coordinates from diffusion module + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): the ground truth coordinates + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist + [N_atom] or [..., N_atom] + is_dna / is_rna / is_ligand (torch.Tensor): mol type mask + [N_atom] or [..., N_atom] + + Returns: + true_coordinate_aligned (torch.Tensor): aligned coordinates for each sample + [..., N_sample, N_atom, 3] + weight (torch.Tensor): weights for each atom + [N_atom] or [..., N_sample, N_atom] + """ + N_sample = pred_coordinate.size(-3) + weight = ( + 1 + + self.weight_dna * is_dna + + self.weight_rna * is_rna + + self.weight_ligand * is_ligand + ) # [N_atom] or [..., N_atom] + + # Apply coordinate_mask + weight = weight * coordinate_mask # [N_atom] or [..., N_atom] + true_coordinate = true_coordinate * coordinate_mask.unsqueeze(dim=-1) + pred_coordinate = pred_coordinate * coordinate_mask[..., None, :, None] + + # Reshape to add "N_sample" dimension + true_coordinate = expand_at_dim( + true_coordinate, dim=-3, n=N_sample + ) # [..., N_sample, N_atom, 3] + if len(weight.shape) > 1: + weight = expand_at_dim( + weight, dim=-2, n=N_sample + ) # [..., N_sample, N_atom] + + # Align GT coords to predicted coords + d = pred_coordinate.dtype + # Some ops in weighted_rigid_align do not support BFloat16 training + with torch.cuda.amp.autocast(enabled=False): + true_coordinate_aligned = weighted_rigid_align( + x=true_coordinate.to(torch.float32), # [..., N_sample, N_atom, 3] + x_target=pred_coordinate.to( + torch.float32 + ), # [..., N_sample, N_atom, 3] + atom_weight=weight.to( + torch.float32 + ), # [N_atom] or [..., N_sample, N_atom] + stop_gradient=True, + ) # [..., N_sample, N_atom, 3] + true_coordinate_aligned = true_coordinate_aligned.to(d) + + return (true_coordinate_aligned.detach(), weight.detach()) + + def forward( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + is_dna: torch.Tensor, + is_rna: torch.Tensor, + is_ligand: torch.Tensor, + per_sample_scale: torch.Tensor = None, + ) -> torch.Tensor: + """MSELoss + + Args: + pred_coordinate (torch.Tensor): the denoised coordinates from diffusion module. + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): the ground truth coordinates. + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist. + [N_atom] or [..., N_atom] + is_dna / is_rna / is_ligand (torch.Tensor): mol type mask. + [N_atom] or [..., N_atom] + per_sample_scale (torch.Tensor, optional): whether to scale the loss by the per-sample noise-level. + [..., N_sample] + + Returns: + torch.Tensor: the weighted mse loss. + [...] is self.reduction is None else [] + """ + # True_coordinate_aligned: [..., N_sample, N_atom, 3] + # Weight: [N_atom] or [..., N_sample, N_atom] + with torch.no_grad(): + true_coordinate_aligned, weight = self.weighted_rigid_align( + pred_coordinate=pred_coordinate, + true_coordinate=true_coordinate, + coordinate_mask=coordinate_mask, + is_dna=is_dna, + is_rna=is_rna, + is_ligand=is_ligand, + ) + + # Calculate MSE loss + per_atom_se = ((pred_coordinate - true_coordinate_aligned) ** 2).sum( + dim=-1 + ) # [..., N_sample, N_atom] + per_sample_weighted_mse = (weight * per_atom_se).sum(dim=-1) / ( + coordinate_mask.sum(dim=-1, keepdim=True) + self.eps + ) # [..., N_sample] + + if per_sample_scale is not None: + per_sample_weighted_mse = per_sample_weighted_mse * per_sample_scale + + weighted_align_mse_loss = self.weight_mse * (per_sample_weighted_mse).mean( + dim=-1 + ) # [...] + + loss = loss_reduction(weighted_align_mse_loss, method=self.reduction) + + return loss + + +class PLDDTLoss(nn.Module): + """ + Implements PLDDT Loss in AF3, different from the paper description. + Main changes: + 1. use difference of distance instead of predicted distance when calculating plddt + 2. normalize each plddt score within 0-1 + """ + + def __init__( + self, + min_bin: float = 0, + max_bin: float = 1, + no_bins: int = 50, + is_nucleotide_threshold: float = 30.0, + is_not_nucleotide_threshold: float = 15.0, + eps: float = 1e-6, + normalize: bool = True, + reduction: str = "mean", + ) -> None: + """PLDDT loss + This loss are between atoms l and m (has some filters) in the mini-rollout prediction + + Args: + min_bin (float, optional): min boundary of bins. Defaults to 0. + max_bin (float, optional): max boundary of bins. Defaults to 1. + no_bins (int, optional): number of bins. Defaults to 50. + is_nucleotide_threshold (float, optional): threshold for nucleotide atoms. Defaults 30.0. + is_not_nucleotide_threshold (float, optional): threshold for non-nucleotide atoms. Defaults 15.0 + eps (float, optional): small number added to denominator. Defaults to 1e-6. + reduction (str, optional): reduction method for the batch dims. Defaults to mean. + """ + super(PLDDTLoss, self).__init__() + self.normalize = normalize + self.min_bin = min_bin + self.max_bin = max_bin + self.no_bins = no_bins + self.eps = eps + self.reduction = reduction + self.is_nucleotide_threshold = is_nucleotide_threshold + self.is_not_nucleotide_threshold = is_not_nucleotide_threshold + + def calculate_label( + self, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + is_nucleotide: torch.Tensor, + is_polymer: torch.Tensor, + rep_atom_mask: torch.Tensor, + ) -> torch.Tensor: + """calculate the lddt as described in Sec 4.3.1. + + Args: + pred_coordinate (torch.Tensor): + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): + [..., N_atom] + is_nucleotide (torch.Tensor): + [N_atom] or [..., N_atom] + is_polymer (torch.Tensor): + [N_atom] + rep_atom_mask (torch.Tensor): + [N_atom] + + Returns: + torch.Tensor: per-atom lddt + [..., N_sample, N_atom] + """ + + N_atom = true_coordinate.size(-2) + atom_m_mask = (rep_atom_mask * is_polymer).bool() # [N_atom] + # Distance: d_lm + pred_d_lm = torch.cdist( + pred_coordinate, pred_coordinate[..., atom_m_mask, :] + ) # [..., N_sample, N_atom, N_atom(m)] + true_d_lm = torch.cdist( + true_coordinate, true_coordinate[..., atom_m_mask, :] + ) # [..., N_atom, N_atom(m)] + delta_d_lm = torch.abs( + pred_d_lm - true_d_lm.unsqueeze(dim=-3) + ) # [..., N_sample, N_atom, N_atom(m)] + + # Pair-wise lddt + thresholds = [0.5, 1, 2, 4] + lddt_lm = ( + torch.stack([delta_d_lm < t for t in thresholds], dim=-1) + .to(dtype=delta_d_lm.dtype) + .mean(dim=-1) + ) # [..., N_sample, N_atom, N_atom(m)] + + # Select atoms that are within certain threshold to l in ground truth + # Restrict to bespoke inclusion radius + is_nucleotide = is_nucleotide[ + ..., atom_m_mask + ].bool() # [N_atom(m)] or [..., N_atom(m)] + locality_mask = ( + true_d_lm < self.is_nucleotide_threshold + ) * is_nucleotide.unsqueeze(dim=-2) + ( + true_d_lm < self.is_not_nucleotide_threshold + ) * ( + ~is_nucleotide.unsqueeze(dim=-2) + ) # [..., N_atom, N_atom(m)] + + # Remove self-distance computation + diagonal_mask = ((1 - torch.eye(n=N_atom)).bool().to(true_d_lm.device))[ + ..., atom_m_mask + ] # [N_atom, N_atom(m)] + + pair_mask = (locality_mask * diagonal_mask).unsqueeze( + dim=-3 + ) # [..., 1, N_atom, N_atom(m)] + + per_atom_lddt = torch.sum( + lddt_lm * pair_mask, dim=-1, keepdim=True + ) # [..., N_sample, N_atom, 1] + if self.normalize: + per_atom_lddt = per_atom_lddt / ( + torch.sum(pair_mask.to(dtype=per_atom_lddt.dtype), dim=-1, keepdim=True) + + self.eps + ) + # Distribute into bins + boundaries = torch.linspace( + start=self.min_bin, + end=self.max_bin, + steps=self.no_bins + 1, + device=true_coordinate.device, + ) # [N_bins] + + true_bins = torch.sum( + per_atom_lddt > boundaries, dim=-1 + ) # [..., N_sample, N_atom], range in [1, no_bins] + true_bins = torch.clamp( + true_bins, min=1, max=self.no_bins + ) # just in case bin=0/no_bins+1 occurs + true_bins = F.one_hot( + true_bins - 1, self.no_bins + ) # [..., N_sample, N_atom, N_bins] + + return true_bins + + def forward( + self, + logits: torch.Tensor, + pred_coordinate: torch.Tensor, + true_coordinate: torch.Tensor, + coordinate_mask: torch.Tensor, + is_nucleotide: torch.Tensor, + is_polymer: torch.Tensor, + rep_atom_mask: torch.Tensor, + ) -> torch.Tensor: + """PLDDT loss + + Args: + logits (torch.Tensor): logits + [..., N_sample, N_atom, no_bins:=50] + pred_coordinate (torch.Tensor): predicted coordinates + [..., N_sample, N_atom, 3] + true_coordinate (torch.Tensor): true coordinates + [..., N_atom, 3] + coordinate_mask (torch.Tensor): whether true coordinates exist + [N_atom] + is_nucleotide (torch.Tensor): "is_rna" or "is_dna" + [N_atom] + is_polymer (torch.Tensor): not "is_ligand" + [N_atom] + rep_atom_mask (torch.Tensor): representative atom of each token + [N_atom] + + Returns: + torch.Tensor: the return loss + [...] if self.reduction is None else [] + """ + assert ( + is_nucleotide.shape + == is_polymer.shape + == rep_atom_mask.shape + == coordinate_mask.shape + == coordinate_mask.view(-1).shape + ) + + coordinate_mask = coordinate_mask.bool() + rep_atom_mask = rep_atom_mask.bool() + is_nucleotide = is_nucleotide.bool() + is_polymer = is_polymer.bool() + + with torch.no_grad(): + true_bins = self.calculate_label( + pred_coordinate=pred_coordinate[..., coordinate_mask, :], + true_coordinate=true_coordinate[..., coordinate_mask, :], + is_nucleotide=is_nucleotide[coordinate_mask], + is_polymer=is_polymer[coordinate_mask], + rep_atom_mask=rep_atom_mask[coordinate_mask], + ).detach() # [..., N_sample, N_atom_with_coords, N_bins] + + plddt_loss = softmax_cross_entropy( + logits=logits[..., coordinate_mask, :], + labels=true_bins, + ) # [..., N_sample, N_atom_with_coords] + + # Average over atoms + plddt_loss = plddt_loss.mean(dim=-1) # [..., N_sample] + + # Average over samples + plddt_loss = plddt_loss.mean(dim=-1) # [...] + + return loss_reduction(plddt_loss, method=self.reduction) + + +class ProtenixLoss(nn.Module): + """Aggregation of the various losses""" + + def __init__(self, configs) -> None: + super(ProtenixLoss, self).__init__() + self.configs = configs + + self.alpha_confidence = self.configs.loss.weight.alpha_confidence + self.alpha_pae = self.configs.loss.weight.alpha_pae + self.alpha_except_pae = self.configs.loss.weight.alpha_except_pae + self.alpha_diffusion = self.configs.loss.weight.alpha_diffusion + self.alpha_distogram = self.configs.loss.weight.alpha_distogram + self.alpha_bond = self.configs.loss.weight.alpha_bond + self.weight_smooth_lddt = self.configs.loss.weight.smooth_lddt + + self.lddt_radius = { + "is_nucleotide_threshold": 30.0, + "is_not_nucleotide_threshold": 15.0, + } + + self.loss_weight = { + # confidence + "plddt_loss": self.alpha_confidence * self.alpha_except_pae, + "pde_loss": self.alpha_confidence * self.alpha_except_pae, + "resolved_loss": self.alpha_confidence * self.alpha_except_pae, + "pae_loss": self.alpha_confidence * self.alpha_pae, + # diffusion + "mse_loss": self.alpha_diffusion, + "bond_loss": self.alpha_diffusion * self.alpha_bond, + "smooth_lddt_loss": self.alpha_diffusion + * self.weight_smooth_lddt, # Different from AF3 appendix eq(6), where smooth_lddt has no weight + # distogram + "distogram_loss": self.alpha_distogram, + } + + # Loss + self.plddt_loss = PLDDTLoss(**configs.loss.plddt, **self.lddt_radius) + self.pde_loss = PDELoss(**configs.loss.pde) + self.resolved_loss = ExperimentallyResolvedLoss(**configs.loss.resolved) + self.pae_loss = PAELoss(**configs.loss.pae) + self.mse_loss = MSELoss(**configs.loss.diffusion.mse) + self.bond_loss = BondLoss(**configs.loss.diffusion.bond) + self.smooth_lddt_loss = SmoothLDDTLoss(**configs.loss.diffusion.smooth_lddt) + self.distogram_loss = DistogramLoss(**configs.loss.distogram) + + def calculate_label( + self, + feat_dict: dict[str, Any], + label_dict: dict[str, Any], + ) -> dict[str, Any]: + """calculate true distance, and atom pair mask + + Args: + feat_dict (dict): Feature dictionary containing additional features. + label_dict (dict): Label dictionary containing ground truth data. + + Returns: + label_dict (dict): with the following updates: + distance (torch.Tensor): true atom-atom distance. + [..., N_atom, N_atom] + distance_mask (torch.Tensor): atom-atom mask indicating whether true distance exists. + [..., N_atom, N_atom] + """ + # Distance mask + distance_mask = ( + label_dict["coordinate_mask"][..., None] + * label_dict["coordinate_mask"][..., None, :] + ) + # Distances for all atom pairs + # Note: we convert to bf16 for saving cuda memory, if performance drops, do not convert it + distance = ( + cdist(label_dict["coordinate"], label_dict["coordinate"]) * distance_mask + ).to( + label_dict["coordinate"].dtype + ) # [..., N_atom, N_atom] + + lddt_mask = compute_lddt_mask( + true_distance=distance, + distance_mask=distance_mask, + is_nucleotide=feat_dict["is_rna"].bool() + feat_dict["is_dna"].bool(), + **self.lddt_radius, + ) + + label_dict["lddt_mask"] = lddt_mask + label_dict["distance_mask"] = distance_mask + if not self.configs.loss_metrics_sparse_enable: + label_dict["distance"] = distance + del distance, distance_mask, lddt_mask + return label_dict + + def calculate_prediction( + self, + pred_dict: dict[str, torch.Tensor], + ) -> dict[str, torch.Tensor]: + """get more predictions used for calculating difference losses + + Args: + pred_dict (dict[str, torch.Tensor]): raw prediction dict given by the model + + Returns: + dict[str, torch.Tensor]: updated predictions + """ + if not self.configs.loss_metrics_sparse_enable: + pred_dict["distance"] = torch.cdist( + pred_dict["coordinate"], pred_dict["coordinate"] + ).to( + pred_dict["coordinate"].dtype + ) # [..., N_atom, N_atom] + return pred_dict + + def aggregate_losses( + self, loss_fns: dict, has_valid_resolution: Optional[torch.Tensor] = None + ) -> tuple[torch.Tensor, dict]: + """ + Aggregates multiple loss functions and their respective metrics. + + Args: + loss_fns (dict): Dictionary of loss functions to be aggregated. + has_valid_resolution (Optional[torch.Tensor]): Tensor indicating valid resolutions. Defaults to None. + + Returns: + tuple[torch.Tensor, dict]: + - cum_loss (torch.Tensor): Cumulative loss. + - all_metrics (dict): Dictionary containing all metrics. + """ + cum_loss = 0.0 + all_metrics = {} + for loss_name, loss_fn in loss_fns.items(): + weight = self.loss_weight[loss_name] + loss_outputs = loss_fn() + if isinstance(loss_outputs, tuple): + loss, metrics = loss_outputs + else: + assert isinstance(loss_outputs, torch.Tensor) + loss, metrics = loss_outputs, {} + + all_metrics.update( + {f"{loss_name}/{key}": val for key, val in metrics.items()} + ) + if torch.isnan(loss) or torch.isinf(loss): + logging.warning(f"{loss_name} loss is NaN. Skipping...") + if ( + (has_valid_resolution is not None) + and (has_valid_resolution.sum() == 0) + and ( + loss_name in ["plddt_loss", "pde_loss", "resolved_loss", "pae_loss"] + ) + ): + loss = 0.0 * loss + else: + all_metrics[loss_name] = loss.detach().clone() + all_metrics[f"weighted_{loss_name}"] = weight * loss.detach().clone() + + cum_loss = cum_loss + weight * loss + all_metrics["loss"] = cum_loss.detach().clone() + + return cum_loss, all_metrics + + def calculate_losses( + self, + feat_dict: dict[str, Any], + pred_dict: dict[str, torch.Tensor], + label_dict: dict[str, Any], + mode: str = "train", + ) -> tuple[torch.Tensor, dict[str, torch.Tensor]]: + """ + Calculate the cumulative loss and aggregated metrics for the given predictions and labels. + + Args: + feat_dict (dict[str, Any]): Feature dictionary containing additional features. + pred_dict (dict[str, torch.Tensor]): Prediction dictionary containing model outputs. + label_dict (dict[str, Any]): Label dictionary containing ground truth data. + mode (str): Mode of operation ('train', 'eval', 'inference'). Defaults to 'train'. + + Returns: + tuple[torch.Tensor, dict[str, torch.Tensor]]: + - cum_loss (torch.Tensor): Cumulative loss. + - metrics (dict[str, torch.Tensor]): Dictionary containing aggregated metrics. + """ + assert mode in ["train", "eval", "inference"] + if mode == "train": + # Confidence Loss: use mini-rollout coordinates + confidence_coordinate = "coordinate_mini" + if not self.configs.train_confidence_only: + # Scale diffusion loss with noise-level + diffusion_per_sample_scale = ( + pred_dict["noise_level"] ** 2 + self.configs.sigma_data**2 + ) / (self.configs.sigma_data * pred_dict["noise_level"]) ** 2 + + else: + # Confidence Loss: use diffusion coordinates + confidence_coordinate = "coordinate" + # No scale is required + diffusion_per_sample_scale = None + + if self.configs.train_confidence_only and mode == "train": + # Skip Diffusion Loss and distogram loss + loss_fns = {} + else: + # Diffusion Loss: SmoothLDDTLoss / BondLoss / MSELoss + loss_fns = {} + if self.configs.loss.diffusion_lddt_loss_dense: + loss_fns.update( + { + "smooth_lddt_loss": lambda: self.smooth_lddt_loss.dense_forward( + pred_coordinate=pred_dict["coordinate"], + true_coordinate=label_dict["coordinate"], + lddt_mask=label_dict["lddt_mask"], + diffusion_chunk_size=self.configs.loss.diffusion_lddt_chunk_size, + ) # it's faster is not OOM + } + ) + elif self.configs.loss.diffusion_sparse_loss_enable: + loss_fns.update( + { + "smooth_lddt_loss": lambda: self.smooth_lddt_loss.sparse_forward( + pred_coordinate=pred_dict["coordinate"], + true_coordinate=label_dict["coordinate"], + lddt_mask=label_dict["lddt_mask"], + diffusion_chunk_size=self.configs.loss.diffusion_lddt_chunk_size, + ) + } + ) + else: + loss_fns.update( + { + "smooth_lddt_loss": lambda: self.smooth_lddt_loss( + pred_distance=pred_dict["distance"], + true_distance=label_dict["distance"], + distance_mask=label_dict["distance_mask"], + lddt_mask=label_dict["lddt_mask"], + diffusion_chunk_size=self.configs.loss.diffusion_lddt_chunk_size, + ) + } + ) + loss_fns.update( + { + "bond_loss": lambda: ( + self.bond_loss.sparse_forward( + pred_coordinate=pred_dict["coordinate"], + true_coordinate=label_dict["coordinate"], + distance_mask=label_dict["distance_mask"], + bond_mask=feat_dict["bond_mask"], + per_sample_scale=diffusion_per_sample_scale, + ) + if self.configs.loss.diffusion_sparse_loss_enable + else self.bond_loss( + pred_distance=pred_dict["distance"], + true_distance=label_dict["distance"], + distance_mask=label_dict["distance_mask"], + bond_mask=feat_dict["bond_mask"], + per_sample_scale=diffusion_per_sample_scale, + diffusion_chunk_size=self.configs.loss.diffusion_bond_chunk_size, + ) + ), + "mse_loss": lambda: self.mse_loss( + pred_coordinate=pred_dict["coordinate"], + true_coordinate=label_dict["coordinate"], + coordinate_mask=label_dict["coordinate_mask"], + is_rna=feat_dict["is_rna"], + is_dna=feat_dict["is_dna"], + is_ligand=feat_dict["is_ligand"], + per_sample_scale=diffusion_per_sample_scale, + ), + } + ) + # Distogram Loss + if "distogram" in pred_dict: + loss_fns.update( + { + "distogram_loss": lambda: self.distogram_loss( + logits=pred_dict["distogram"], + true_coordinate=label_dict["coordinate"], + coordinate_mask=label_dict["coordinate_mask"], + rep_atom_mask=feat_dict["distogram_rep_atom_mask"], + ) + } + ) + + # Confidence Loss: + # Only when resoluton is in [min_resolution, max_resolution] the confidence loss is considered + # NOTE: here we assume batch_size == 1 + resolution = feat_dict["resolution"].item() + has_valid_resolution = (resolution >= self.configs.loss.resolution.min) & ( + resolution <= self.configs.loss.resolution.max + ) + + if has_valid_resolution: + has_valid_resolution = torch.tensor( + [1.0], + dtype=label_dict["coordinate"].dtype, + device=label_dict["coordinate"].device, + ) + else: + has_valid_resolution = torch.tensor( + [0.0], + dtype=label_dict["coordinate"].dtype, + device=label_dict["coordinate"].device, + ) + + if all(x in pred_dict for x in ["plddt", "pde", "pae", "resolved"]): + loss_fns.update( + { + "plddt_loss": lambda: self.plddt_loss( + logits=pred_dict["plddt"], + pred_coordinate=pred_dict[confidence_coordinate].detach(), + true_coordinate=label_dict["coordinate"], + coordinate_mask=label_dict["coordinate_mask"], + rep_atom_mask=feat_dict["plddt_m_rep_atom_mask"], + is_nucleotide=feat_dict["is_rna"] + feat_dict["is_dna"], + is_polymer=1 - feat_dict["is_ligand"], + ), + "pde_loss": lambda: self.pde_loss( + logits=pred_dict["pde"], + pred_coordinate=pred_dict[confidence_coordinate].detach(), + true_coordinate=label_dict["coordinate"], + coordinate_mask=label_dict["coordinate_mask"], + rep_atom_mask=feat_dict["distogram_rep_atom_mask"], + ), + "resolved_loss": lambda: self.resolved_loss( + logits=pred_dict["resolved"], + coordinate_mask=label_dict["coordinate_mask"], + ), + "pae_loss": lambda: self.pae_loss( + logits=pred_dict["pae"], + pred_coordinate=pred_dict[confidence_coordinate].detach(), + true_coordinate=label_dict["coordinate"], + coordinate_mask=label_dict["coordinate_mask"], + frame_atom_index=feat_dict["frame_atom_index"], + rep_atom_mask=feat_dict["pae_rep_atom_mask"], + has_frame=feat_dict["has_frame"], + ), + } + ) + + cum_loss, metrics = self.aggregate_losses(loss_fns, has_valid_resolution) + return cum_loss, metrics + + def forward( + self, + feat_dict: dict[str, Any], + pred_dict: dict[str, torch.Tensor], + label_dict: dict[str, Any], + mode: str = "train", + ) -> tuple[torch.Tensor, dict[str, torch.Tensor]]: + """ + Forward pass for calculating the cumulative loss and aggregated metrics. + + Args: + feat_dict (dict[str, Any]): Feature dictionary containing additional features. + pred_dict (dict[str, torch.Tensor]): Prediction dictionary containing model outputs. + label_dict (dict[str, Any]): Label dictionary containing ground truth data. + mode (str): Mode of operation ('train', 'eval', 'inference'). Defaults to 'train'. + + Returns: + tuple[torch.Tensor, dict[str, torch.Tensor]]: + - cum_loss (torch.Tensor): Cumulative loss. + - losses (dict[str, torch.Tensor]): Dictionary containing aggregated metrics. + """ + diffusion_chunk_size = self.configs.loss.diffusion_chunk_size_outer + assert mode in ["train", "eval", "inference"] + # Pre-computations + with torch.no_grad(): + label_dict = self.calculate_label(feat_dict, label_dict) + + pred_dict = self.calculate_prediction(pred_dict) + + if diffusion_chunk_size <= 0: + # Calculate losses + cum_loss, losses = self.calculate_losses( + feat_dict=feat_dict, + pred_dict=pred_dict, + label_dict=label_dict, + mode=mode, + ) + else: + if "coordinate" in pred_dict: + N_sample = pred_dict["coordinate"].shape[-3] + elif self.configs.train_confidence_only: + N_sample = pred_dict["coordinate_mini"].shape[-3] + else: + raise KeyError("Missing key: coordinate (in pred_dict).") + no_chunks = N_sample // diffusion_chunk_size + ( + N_sample % diffusion_chunk_size != 0 + ) + cum_loss = 0.0 + losses = {} + for i in range(no_chunks): + cur_sample_num = min( + diffusion_chunk_size, N_sample - i * diffusion_chunk_size + ) + pred_dict_i = {} + for key, value in pred_dict.items(): + if key in ["coordinate"] and mode == "train": + pred_dict_i[key] = value[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, + :, + :, + ] + elif ( + key in ["coordinate", "plddt", "pae", "pde", "resolved"] + and mode != "train" + ): + pred_dict_i[key] = value[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size, + :, + :, + ] + elif key == "noise_level": + pred_dict_i[key] = value[ + i * diffusion_chunk_size : (i + 1) * diffusion_chunk_size + ] + else: + pred_dict_i[key] = value + pred_dict_i = self.calculate_prediction(pred_dict_i) + cum_loss_i, losses_i = self.calculate_losses( + feat_dict=feat_dict, + pred_dict=pred_dict_i, + label_dict=label_dict, + mode=mode, + ) + cum_loss += cum_loss_i * cur_sample_num + # Aggregate metrics + for key, value in losses_i.items(): + if key in losses: + losses[key] += value * cur_sample_num + else: + losses[key] = value * cur_sample_num + cum_loss /= N_sample + for key in losses.keys(): + losses[key] /= N_sample + + return cum_loss, losses diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/confidence.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/confidence.py new file mode 100644 index 0000000000000000000000000000000000000000..9e241f5ba42b75ef4ed30c26cc75eca0336b8319 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/confidence.py @@ -0,0 +1,321 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Optional, Union + +import torch +import torch.nn as nn + +from protenix.model.modules.pairformer import PairformerStack +from protenix.model.modules.primitives import LinearNoBias +from protenix.model.utils import broadcast_token_to_atom, one_hot +from protenix.openfold_local.model.primitives import LayerNorm +from protenix.utils.torch_utils import cdist + + +class ConfidenceHead(nn.Module): + """ + Implements Algorithm 31 in AF3 + """ + + def __init__( + self, + n_blocks: int = 4, + c_s: int = 384, + c_z: int = 128, + c_s_inputs: int = 449, + b_pae: int = 64, + b_pde: int = 64, + b_plddt: int = 50, + b_resolved: int = 2, + max_atoms_per_token: int = 20, + pairformer_dropout: float = 0.0, + blocks_per_ckpt: Optional[int] = None, + distance_bin_start: float = 3.25, + distance_bin_end: float = 52.0, + distance_bin_step: float = 1.25, + stop_gradient: bool = True, + ) -> None: + """ + Args: + n_blocks (int, optional): number of blocks for ConfidenceHead. Defaults to 4. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_s_inputs (int, optional): hidden dim [for single embedding from InputFeatureEmbedder]. Defaults to 449. + b_pae (int, optional): the bin number for pae. Defaults to 64. + b_pde (int, optional): the bin numer for pde. Defaults to 64. + b_plddt (int, optional): the bin number for plddt. Defaults to 50. + b_resolved (int, optional): the bin number for resolved. Defaults to 2. + max_atoms_per_token (int, optional): max atoms in a token. Defaults to 20. + pairformer_dropout (float, optional): dropout ratio for Pairformer. Defaults to 0.0. + blocks_per_ckpt: number of Pairformer blocks in each activation checkpoint + distance_bin_start (float, optional): Start of the distance bin range. Defaults to 3.375. + distance_bin_end (float, optional): End of the distance bin range. Defaults to 21.375. + distance_bin_step (float, optional): Step size for the distance bins. Defaults to 1.25. + stop_gradient (bool, optional): Whether to stop gradient propagation. Defaults to True. + """ + super(ConfidenceHead, self).__init__() + self.n_blocks = n_blocks + self.c_s = c_s + self.c_z = c_z + self.c_s_inputs = c_s_inputs + self.b_pae = b_pae + self.b_pde = b_pde + self.b_plddt = b_plddt + self.b_resolved = b_resolved + self.max_atoms_per_token = max_atoms_per_token + self.stop_gradient = stop_gradient + self.linear_no_bias_s1 = LinearNoBias( + in_features=self.c_s_inputs, out_features=self.c_z + ) + self.linear_no_bias_s2 = LinearNoBias( + in_features=self.c_s_inputs, out_features=self.c_z + ) + lower_bins = torch.arange( + distance_bin_start, distance_bin_end, distance_bin_step + ) + upper_bins = torch.cat([lower_bins[1:], torch.tensor([1e6])]) + + self.lower_bins = nn.Parameter(lower_bins, requires_grad=False) + self.upper_bins = nn.Parameter(upper_bins, requires_grad=False) + self.num_bins = len(lower_bins) # + 1 + + self.linear_no_bias_d = LinearNoBias( + in_features=self.num_bins, out_features=self.c_z + ) + + self.pairformer_stack = PairformerStack( + c_z=self.c_z, + c_s=self.c_s, + n_blocks=n_blocks, + dropout=pairformer_dropout, + blocks_per_ckpt=blocks_per_ckpt, + ) + self.linear_no_bias_pae = LinearNoBias( + in_features=self.c_z, out_features=self.b_pae + ) + self.linear_no_bias_pde = LinearNoBias( + in_features=self.c_z, out_features=self.b_pde + ) + self.plddt_weight = nn.Parameter( + data=torch.empty(size=(self.max_atoms_per_token, self.c_s, self.b_plddt)) + ) + self.resolved_weight = nn.Parameter( + data=torch.empty(size=(self.max_atoms_per_token, self.c_s, self.b_resolved)) + ) + + self.linear_no_bias_s_inputs = LinearNoBias(self.c_s_inputs, self.c_s) + self.linear_no_bias_s_trunk = LinearNoBias(self.c_s, self.c_s) + self.layernorm_s_trunk = LayerNorm(self.c_s) + self.linear_no_bias_z_trunk = LinearNoBias(self.c_z, self.c_z) + self.layernorm_z_trunk = LayerNorm(self.c_z) + + self.layernorm_no_bias_z_cat = nn.LayerNorm(self.c_z * 2, bias=False) + self.layernorm_no_bias_s_cat = nn.LayerNorm(self.c_s * 2, bias=False) + self.linear_no_bias_z_cat = LinearNoBias(self.c_z * 2, self.c_z) + self.linear_no_bias_s_cat = LinearNoBias(self.c_s * 2, self.c_s) + + # Output layernorm + self.pae_ln = LayerNorm(self.c_z) + self.pde_ln = LayerNorm(self.c_z) + self.plddt_ln = LayerNorm(self.c_s) + self.resolved_ln = LayerNorm(self.c_s) + + with torch.no_grad(): + # Zero init for output layer (before softmax) to zero + nn.init.zeros_(self.linear_no_bias_pae.weight) + nn.init.zeros_(self.linear_no_bias_pde.weight) + nn.init.zeros_(self.plddt_weight) + nn.init.zeros_(self.resolved_weight) + + # Zero init for trunk embedding input layer + # nn.init.zeros_(self.linear_no_bias_s_trunk.weight) + # nn.init.zeros_(self.linear_no_bias_z_trunk.weight) + + def forward( + self, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + s_inputs: torch.Tensor, + s_trunk: torch.Tensor, + z_trunk: torch.Tensor, + pair_mask: torch.Tensor, + x_pred_coords: torch.Tensor, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: + """ + Args: + input_feature_dict: Dictionary containing input features. + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_tokens, c_s_inputs] + s_trunk (torch.Tensor): single feature embedding from PairFormer (Alg17) + [..., N_tokens, c_s] + z_trunk (torch.Tensor): pair feature embedding from PairFormer (Alg17) + [..., N_tokens, N_tokens, c_z] + pair_mask (torch.Tensor): pair mask + [..., N_token, N_token] + x_pred_coords (torch.Tensor): predicted coordinates + [..., N_sample, N_atoms, 3] + use_memory_efficient_kernel (bool, optional): Whether to use memory-efficient kernel. Defaults to False. + use_deepspeed_evo_attention (bool, optional): Whether to use DeepSpeed evolutionary attention. Defaults to False. + use_lma (bool, optional): Whether to use low-memory attention. Defaults to False. + inplace_safe (bool, optional): Whether to use inplace operations. Defaults to False. + chunk_size (Optional[int], optional): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: + - plddt_preds: Predicted pLDDT scores [..., N_sample, N_atom, plddt_bins]. + - pae_preds: Predicted PAE scores [..., N_sample, N_token, N_token, pae_bins]. + - pde_preds: Predicted PDE scores [..., N_sample, N_token, N_token, pde_bins]. + - resolved_preds: Predicted resolved scores [..., N_sample, N_atom, 2]. + """ + + if self.stop_gradient: + s_inputs = s_inputs.detach() + s_trunk = s_trunk.detach() + z_trunk = z_trunk.detach() + + s_trunk = self.linear_no_bias_s_trunk(self.layernorm_s_trunk(s_trunk)) + z_trunk = self.linear_no_bias_z_trunk(self.layernorm_z_trunk(z_trunk)) + + z_init = ( + self.linear_no_bias_s1(s_inputs)[..., None, :, :] + + self.linear_no_bias_s2(s_inputs)[..., None, :] + ) + s_init = self.linear_no_bias_s_inputs(s_inputs) + s_trunk = torch.cat([s_init, s_trunk], dim=-1) + z_trunk = torch.cat([z_init, z_trunk], dim=-1) + + s_trunk = self.linear_no_bias_s_cat(self.layernorm_no_bias_s_cat(s_trunk)) + z_trunk = self.linear_no_bias_z_cat(self.layernorm_no_bias_z_cat(z_trunk)) + + if not self.training: + del z_init + torch.cuda.empty_cache() + + x_rep_atom_mask = input_feature_dict[ + "distogram_rep_atom_mask" + ].bool() # [N_atom] + x_pred_rep_coords = x_pred_coords[..., x_rep_atom_mask, :] + N_sample = x_pred_rep_coords.size(-3) + + plddt_preds, pae_preds, pde_preds, resolved_preds = [], [], [], [] + for i in range(N_sample): + plddt_pred, pae_pred, pde_pred, resolved_pred = ( + self.memory_efficient_forward( + input_feature_dict=input_feature_dict, + s_trunk=s_trunk, + z_pair=z_trunk, + pair_mask=pair_mask, + x_pred_rep_coords=x_pred_rep_coords[..., i, :, :], + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + ) + if z_trunk.shape[-2] > 2000 and (not self.training): + # cpu offload pae_preds/pde_preds + pae_pred = pae_pred.cpu() + pde_pred = pde_pred.cpu() + torch.cuda.empty_cache() + plddt_preds.append(plddt_pred) + pae_preds.append(pae_pred) + pde_preds.append(pde_pred) + resolved_preds.append(resolved_pred) + plddt_preds = torch.stack( + plddt_preds, dim=-3 + ) # [..., N_sample, N_atom, plddt_bins] + # Pae_preds/pde_preds single tensor will occupy 11.6G[BF16]/23.2G[FP32] + pae_preds = torch.stack( + pae_preds, dim=-4 + ) # [..., N_sample, N_token, N_token, pae_bins] + pde_preds = torch.stack( + pde_preds, dim=-4 + ) # [..., N_sample, N_token, N_token, pde_bins] + resolved_preds = torch.stack( + resolved_preds, dim=-3 + ) # [..., N_sample, N_atom, 2] + return plddt_preds, pae_preds, pde_preds, resolved_preds + + def memory_efficient_forward( + self, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + s_trunk: torch.Tensor, + z_pair: torch.Tensor, + pair_mask: torch.Tensor, + x_pred_rep_coords: torch.Tensor, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: + """ + Args: + ... + x_pred_coords (torch.Tensor): predicted coordinates + [..., N_atoms, 3] # Note: N_sample = 1 for avoiding CUDA OOM + """ + # Embed pair distances of representative atoms: + distance_pred = cdist( + x_pred_rep_coords, x_pred_rep_coords + ) # [..., N_tokens, N_tokens] + z_pair = z_pair + self.linear_no_bias_d( + one_hot( + x=distance_pred, lower_bins=self.lower_bins, upper_bins=self.upper_bins + ) + ) # [..., N_tokens, N_tokens, c_z] + # Line 4 + s_single, z_pair = self.pairformer_stack( + s_trunk, + z_pair, + pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + pae_pred = self.linear_no_bias_pae(self.pae_ln(z_pair)) + pde_pred = self.linear_no_bias_pde( + self.pde_ln(z_pair + z_pair.transpose(-2, -3)) + ) + + atom_to_token_idx = input_feature_dict[ + "atom_to_token_idx" + ] # in range [0, N_token-1] shape: [N_atom] + atom_to_tokatom_idx = input_feature_dict[ + "atom_to_tokatom_idx" + ] # in range [0, max_atoms_per_token-1] shape: [N_atom] # influenced by crop + # Broadcast s_single: [N_tokens, c_s] -> [N_atoms, c_s] + a = broadcast_token_to_atom( + x_token=s_single, atom_to_token_idx=atom_to_token_idx + ) + plddt_pred = torch.einsum( + "...nc,ncb->...nb", self.plddt_ln(a), self.plddt_weight[atom_to_tokatom_idx] + ) + resolved_pred = torch.einsum( + "...nc,ncb->...nb", + self.resolved_ln(a), + self.resolved_weight[atom_to_tokatom_idx], + ) + if not self.training and z_pair.shape[-2] > 2000: + torch.cuda.empty_cache() + return plddt_pred, pae_pred, pde_pred, resolved_pred diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/diffusion.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/diffusion.py new file mode 100644 index 0000000000000000000000000000000000000000..5c1637a0dbcc88f312a0f0d98f37e5fa1c5b1f47 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/diffusion.py @@ -0,0 +1,541 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Optional, Union + +import torch +import torch.nn as nn + +from protenix.model.modules.embedders import FourierEmbedding, RelativePositionEncoding +from protenix.model.modules.primitives import LinearNoBias, Transition +from protenix.model.modules.transformer import ( + AtomAttentionDecoder, + AtomAttentionEncoder, + DiffusionTransformer, +) +from protenix.model.utils import expand_at_dim +from protenix.openfold_local.model.primitives import LayerNorm +from protenix.openfold_local.utils.checkpointing import get_checkpoint_fn + + +class DiffusionConditioning(nn.Module): + """ + Implements Algorithm 21 in AF3 + """ + + def __init__( + self, + sigma_data: float = 16.0, + c_z: int = 128, + c_s: int = 384, + c_s_inputs: int = 449, + c_noise_embedding: int = 256, + ) -> None: + """ + Args: + sigma_data (torch.float, optional): the standard deviation of the data. Defaults to 16.0. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + c_s_inputs (int, optional): input embedding dim from InputEmbedder. Defaults to 449. + c_noise_embedding (int, optional): noise embedding dim. Defaults to 256. + """ + super(DiffusionConditioning, self).__init__() + self.sigma_data = sigma_data + self.c_z = c_z + self.c_s = c_s + self.c_s_inputs = c_s_inputs + # Line1-Line3: + self.relpe = RelativePositionEncoding(c_z=c_z) + self.layernorm_z = LayerNorm(2 * self.c_z) + self.linear_no_bias_z = LinearNoBias( + in_features=2 * self.c_z, out_features=self.c_z + ) + # Line3-Line5: + self.transition_z1 = Transition(c_in=self.c_z, n=2) + self.transition_z2 = Transition(c_in=self.c_z, n=2) + + # Line6-Line7 + self.layernorm_s = LayerNorm(self.c_s + self.c_s_inputs) + self.linear_no_bias_s = LinearNoBias( + in_features=self.c_s + self.c_s_inputs, out_features=self.c_s + ) + # Line8-Line9 + self.fourier_embedding = FourierEmbedding(c=c_noise_embedding) + self.layernorm_n = LayerNorm(c_noise_embedding) + self.linear_no_bias_n = LinearNoBias( + in_features=c_noise_embedding, out_features=self.c_s + ) + # Line10-Line12 + self.transition_s1 = Transition(c_in=self.c_s, n=2) + self.transition_s2 = Transition(c_in=self.c_s, n=2) + print(f"Diffusion Module has {self.sigma_data}") + + def forward( + self, + t_hat_noise_level: torch.Tensor, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + s_inputs: torch.Tensor, + s_trunk: torch.Tensor, + z_trunk: torch.Tensor, + inplace_safe: bool = False, + ) -> tuple[torch.Tensor, torch.Tensor]: + """ + Args: + t_hat_noise_level (torch.Tensor): the noise level + [..., N_sample] + input_feature_dict (dict[str, Union[torch.Tensor, int, float, dict]]): input meta feature dict + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_tokens, c_s_inputs] + s_trunk (torch.Tensor): single feature embedding from PairFormer (Alg17) + [..., N_tokens, c_s] + z_trunk (torch.Tensor): pair feature embedding from PairFormer (Alg17) + [..., N_tokens, N_tokens, c_z] + inplace_safe (bool): Whether it is safe to use inplace operations. + Returns: + tuple[torch.Tensor, torch.Tensor]: embeddings s and z + - s (torch.Tensor): [..., N_sample, N_tokens, c_s] + - z (torch.Tensor): [..., N_tokens, N_tokens, c_z] + """ + # Pair conditioning + pair_z = torch.cat( + tensors=[z_trunk, self.relpe(input_feature_dict)], dim=-1 + ) # [..., N_tokens, N_tokens, 2*c_z] + pair_z = self.linear_no_bias_z(self.layernorm_z(pair_z)) + if inplace_safe: + pair_z += self.transition_z1(pair_z) + pair_z += self.transition_z2(pair_z) + else: + pair_z = pair_z + self.transition_z1(pair_z) + pair_z = pair_z + self.transition_z2(pair_z) + # Single conditioning + single_s = torch.cat( + tensors=[s_trunk, s_inputs], dim=-1 + ) # [..., N_tokens, c_s + c_s_inputs] + single_s = self.linear_no_bias_s(self.layernorm_s(single_s)) + noise_n = self.fourier_embedding( + t_hat_noise_level=torch.log(input=t_hat_noise_level / self.sigma_data) / 4 + ).to( + single_s.dtype + ) # [..., N_sample, c_in] + single_s = single_s.unsqueeze(dim=-3) + self.linear_no_bias_n( + self.layernorm_n(noise_n) + ).unsqueeze( + dim=-2 + ) # [..., N_sample, N_tokens, c_s] + if inplace_safe: + single_s += self.transition_s1(single_s) + single_s += self.transition_s2(single_s) + else: + single_s = single_s + self.transition_s1(single_s) + single_s = single_s + self.transition_s2(single_s) + if not self.training and pair_z.shape[-2] > 2000: + torch.cuda.empty_cache() + return single_s, pair_z + + +class DiffusionSchedule: + def __init__( + self, + sigma_data: float = 16.0, + s_max: float = 160.0, + s_min: float = 4e-4, + p: float = 7.0, + dt: float = 1 / 200, + p_mean: float = -1.2, + p_std: float = 1.5, + ) -> None: + """ + Args: + sigma_data (float, optional): The standard deviation of the data. Defaults to 16.0. + s_max (float, optional): The maximum noise level. Defaults to 160.0. + s_min (float, optional): The minimum noise level. Defaults to 4e-4. + p (float, optional): The exponent for the noise schedule. Defaults to 7.0. + dt (float, optional): The time step size. Defaults to 1/200. + p_mean (float, optional): The mean of the log-normal distribution for noise level sampling. Defaults to -1.2. + p_std (float, optional): The standard deviation of the log-normal distribution for noise level sampling. Defaults to 1.5. + """ + self.sigma_data = sigma_data + self.s_max = s_max + self.s_min = s_min + self.p = p + self.dt = dt + self.p_mean = p_mean + self.p_std = p_std + # self.T + self.T = int(1 / dt) + 1 # 201 + + def get_train_noise_schedule(self) -> torch.Tensor: + return self.sigma_data * torch.exp(self.p_mean + self.p_std * torch.randn(1)) + + def get_inference_noise_schedule(self) -> torch.Tensor: + time_step_lists = torch.arange(start=0, end=1 + 1e-10, step=self.dt) + inference_noise_schedule = ( + self.sigma_data + * ( + self.s_max ** (1 / self.p) + + time_step_lists + * (self.s_min ** (1 / self.p) - self.s_max ** (1 / self.p)) + ) + ** self.p + ) + return inference_noise_schedule + + +class DiffusionModule(nn.Module): + """ + Implements Algorithm 20 in AF3 + """ + + def __init__( + self, + sigma_data: float = 16.0, + c_atom: int = 128, + c_atompair: int = 16, + c_token: int = 768, + c_s: int = 384, + c_z: int = 128, + c_s_inputs: int = 449, + atom_encoder: dict[str, int] = {"n_blocks": 3, "n_heads": 4}, + transformer: dict[str, int] = {"n_blocks": 24, "n_heads": 16}, + atom_decoder: dict[str, int] = {"n_blocks": 3, "n_heads": 4}, + blocks_per_ckpt: Optional[int] = None, + use_fine_grained_checkpoint: bool = False, + initialization: Optional[dict[str, Union[str, float, bool]]] = None, + ) -> None: + """ + Args: + sigma_data (torch.float, optional): the standard deviation of the data. Defaults to 16.0. + c_atom (int, optional): embedding dim for atom feature. Defaults to 128. + c_atompair (int, optional): embedding dim for atompair feature. Defaults to 16. + c_token (int, optional): feature channel of token (single a). Defaults to 768. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_s_inputs (int, optional): hidden dim [for single input embedding]. Defaults to 449. + atom_encoder (dict[str, int], optional): configs in AtomAttentionEncoder. Defaults to {"n_blocks": 3, "n_heads": 4}. + transformer (dict[str, int], optional): configs in DiffusionTransformer. Defaults to {"n_blocks": 24, "n_heads": 16}. + atom_decoder (dict[str, int], optional): configs in AtomAttentionDecoder. Defaults to {"n_blocks": 3, "n_heads": 4}. + blocks_per_ckpt: number of atom_encoder/transformer/atom_decoder blocks in each activation checkpoint + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing is performed. + use_fine_grained_checkpoint: whether use fine-gained checkpoint for finetuning stage 2 + only effective if blocks_per_ckpt is not None. + initialization: initialize the diffusion module according to initialization config. + """ + + super(DiffusionModule, self).__init__() + self.sigma_data = sigma_data + self.c_atom = c_atom + self.c_atompair = c_atompair + self.c_token = c_token + self.c_s_inputs = c_s_inputs + self.c_s = c_s + self.c_z = c_z + + # Grad checkpoint setting + self.blocks_per_ckpt = blocks_per_ckpt + self.use_fine_grained_checkpoint = use_fine_grained_checkpoint + + self.diffusion_conditioning = DiffusionConditioning( + sigma_data=self.sigma_data, c_z=c_z, c_s=c_s, c_s_inputs=c_s_inputs + ) + self.atom_attention_encoder = AtomAttentionEncoder( + **atom_encoder, + c_atom=c_atom, + c_atompair=c_atompair, + c_token=c_token, + has_coords=True, + c_s=c_s, + c_z=c_z, + blocks_per_ckpt=blocks_per_ckpt, + ) + # Alg20: line4 + self.layernorm_s = LayerNorm(c_s) + self.linear_no_bias_s = LinearNoBias(in_features=c_s, out_features=c_token) + self.diffusion_transformer = DiffusionTransformer( + **transformer, + c_a=c_token, + c_s=c_s, + c_z=c_z, + blocks_per_ckpt=blocks_per_ckpt, + ) + self.layernorm_a = LayerNorm(c_token) + self.atom_attention_decoder = AtomAttentionDecoder( + **atom_decoder, + c_token=c_token, + c_atom=c_atom, + c_atompair=c_atompair, + blocks_per_ckpt=blocks_per_ckpt, + ) + self.init_parameters(initialization) + + def init_parameters(self, initialization: dict): + """ + Initializes the parameters of the diffusion module according to the provided initialization configuration. + + Args: + initialization (dict): A dictionary containing initialization settings. + """ + if initialization.get("zero_init_condition_transition", False): + self.diffusion_conditioning.transition_z1.zero_init() + self.diffusion_conditioning.transition_z2.zero_init() + self.diffusion_conditioning.transition_s1.zero_init() + self.diffusion_conditioning.transition_s2.zero_init() + + self.atom_attention_encoder.linear_init( + zero_init_atom_encoder_residual_linear=initialization.get( + "zero_init_atom_encoder_residual_linear", False + ), + he_normal_init_atom_encoder_small_mlp=initialization.get( + "he_normal_init_atom_encoder_small_mlp", False + ), + he_normal_init_atom_encoder_output=initialization.get( + "he_normal_init_atom_encoder_output", False + ), + ) + + if initialization.get("glorot_init_self_attention", False): + for ( + block + ) in ( + self.atom_attention_encoder.atom_transformer.diffusion_transformer.blocks + ): + block.attention_pair_bias.glorot_init() + + for block in self.diffusion_transformer.blocks: + if initialization.get("zero_init_adaln", False): + block.attention_pair_bias.layernorm_a.zero_init() + block.conditioned_transition_block.adaln.zero_init() + if initialization.get("zero_init_residual_condition_transition", False): + nn.init.zeros_( + block.conditioned_transition_block.linear_nobias_b.weight + ) + + if initialization.get("zero_init_atom_decoder_linear", False): + nn.init.zeros_(self.atom_attention_decoder.linear_no_bias_a.weight) + + if initialization.get("zero_init_dit_output", False): + nn.init.zeros_(self.atom_attention_decoder.linear_no_bias_out.weight) + + def f_forward( + self, + r_noisy: torch.Tensor, + t_hat_noise_level: torch.Tensor, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + s_inputs: torch.Tensor, + s_trunk: torch.Tensor, + z_trunk: torch.Tensor, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """The raw network to be trained. + As in EDM equation (7), this is F_theta(c_in * x, c_noise(sigma)). + Here, c_noise(sigma) is computed in Conditioning module. + + Args: + r_noisy (torch.Tensor): scaled x_noisy (i.e., c_in * x) + [..., N_sample, N_atom, 3] + t_hat_noise_level (torch.Tensor): the noise level, as well as the time step t + [..., N_sample] + input_feature_dict (dict[str, Union[torch.Tensor, int, float, dict]]): input feature + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_tokens, c_s_inputs] + s_trunk (torch.Tensor): single feature embedding from PairFormer (Alg17) + [..., N_tokens, c_s] + z_trunk (torch.Tensor): pair feature embedding from PairFormer (Alg17) + [..., N_tokens, N_tokens, c_z] + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + torch.Tensor: coordinates update + [..., N_sample, N_atom, 3] + """ + N_sample = r_noisy.size(-3) + assert t_hat_noise_level.size(-1) == N_sample + + blocks_per_ckpt = self.blocks_per_ckpt + if not torch.is_grad_enabled(): + blocks_per_ckpt = None + # Conditioning, shared across difference samples + # Diffusion_conditioning consumes 7-8G when token num is 768, + # use checkpoint here if blocks_per_ckpt is not None. + if blocks_per_ckpt: + checkpoint_fn = get_checkpoint_fn() + s_single, z_pair = checkpoint_fn( + self.diffusion_conditioning, + t_hat_noise_level, + input_feature_dict, + s_inputs, + s_trunk, + z_trunk, + inplace_safe, + ) + else: + s_single, z_pair = self.diffusion_conditioning( + t_hat_noise_level=t_hat_noise_level, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s_trunk, + z_trunk=z_trunk, + inplace_safe=inplace_safe, + ) # [..., N_sample, N_token, c_s], [..., N_token, N_token, c_z] + + # Expand embeddings to match N_sample + s_trunk = expand_at_dim( + s_trunk, dim=-3, n=N_sample + ) # [..., N_sample, N_token, c_s] + z_pair = expand_at_dim( + z_pair, dim=-4, n=N_sample + ) # [..., N_sample, N_token, N_token, c_z] + # Fine-grained checkpoint for finetuning stage 2 (token num: 768) for avoiding OOM + if blocks_per_ckpt and self.use_fine_grained_checkpoint: + checkpoint_fn = get_checkpoint_fn() + a_token, q_skip, c_skip, p_skip = checkpoint_fn( + self.atom_attention_encoder, + input_feature_dict, + r_noisy, + s_trunk, + z_pair, + inplace_safe, + chunk_size, + ) + else: + # Sequence-local Atom Attention and aggregation to coarse-grained tokens + a_token, q_skip, c_skip, p_skip = self.atom_attention_encoder( + input_feature_dict=input_feature_dict, + r_l=r_noisy, + s=s_trunk, + z=z_pair, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + # Full self-attention on token level. + if inplace_safe: + a_token += self.linear_no_bias_s( + self.layernorm_s(s_single) + ) # [..., N_sample, N_token, c_token] + else: + a_token = a_token + self.linear_no_bias_s( + self.layernorm_s(s_single) + ) # [..., N_sample, N_token, c_token] + a_token = self.diffusion_transformer( + a=a_token, + s=s_single, + z=z_pair, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + a_token = self.layernorm_a(a_token) + + # Fine-grained checkpoint for finetuning stage 2 (token num: 768) for avoiding OOM + if blocks_per_ckpt and self.use_fine_grained_checkpoint: + checkpoint_fn = get_checkpoint_fn() + r_update = checkpoint_fn( + self.atom_attention_decoder, + input_feature_dict, + a_token, + q_skip, + c_skip, + p_skip, + inplace_safe, + chunk_size, + ) + else: + # Broadcast token activations to atoms and run Sequence-local Atom Attention + r_update = self.atom_attention_decoder( + input_feature_dict=input_feature_dict, + a=a_token, + q_skip=q_skip, + c_skip=c_skip, + p_skip=p_skip, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + return r_update + + def forward( + self, + x_noisy: torch.Tensor, + t_hat_noise_level: torch.Tensor, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + s_inputs: torch.Tensor, + s_trunk: torch.Tensor, + z_trunk: torch.Tensor, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """One step denoise: x_noisy, noise_level -> x_denoised + + Args: + x_noisy (torch.Tensor): the noisy version of the input atom coords + [..., N_sample, N_atom,3] + t_hat_noise_level (torch.Tensor): the noise level, as well as the time step t + [..., N_sample] + input_feature_dict (dict[str, Union[torch.Tensor, int, float, dict]]): input meta feature dict + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_tokens, c_s_inputs] + s_trunk (torch.Tensor): single feature embedding from PairFormer (Alg17) + [..., N_tokens, c_s] + z_trunk (torch.Tensor): pair feature embedding from PairFormer (Alg17) + [..., N_tokens, N_tokens, c_z] + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + torch.Tensor: the denoised coordinates of x + [..., N_sample, N_atom,3] + """ + # Scale positions to dimensionless vectors with approximately unit variance + # As in EDM: + # r_noisy = (c_in * x_noisy) + # where c_in = 1 / sqrt(sigma_data^2 + sigma^2) + r_noisy = ( + x_noisy + / torch.sqrt(self.sigma_data**2 + t_hat_noise_level**2)[..., None, None] + ) + + # Compute the update given r_noisy (the scaled x_noisy) + # As in EDM: + # r_update = F(r_noisy, c_noise(sigma)) + r_update = self.f_forward( + r_noisy=r_noisy, + t_hat_noise_level=t_hat_noise_level, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s_trunk, + z_trunk=z_trunk, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + # Rescale updates to positions and combine with input positions + # As in EDM: + # D = c_skip * x_noisy + c_out * r_update + # c_skip = sigma_data^2 / (sigma_data^2 + sigma^2) + # c_out = (sigma_data * sigma) / sqrt(sigma_data^2 + sigma^2) + # s_ratio = sigma / sigma_data + # c_skip = 1 / (1 + s_ratio^2) + # c_out = sigma / sqrt(1 + s_ratio^2) + + s_ratio = (t_hat_noise_level / self.sigma_data)[..., None, None].to( + r_update.dtype + ) + x_denoised = ( + 1 / (1 + s_ratio**2) * x_noisy + + t_hat_noise_level[..., None, None] / torch.sqrt(1 + s_ratio**2) * r_update + ).to(r_update.dtype) + + return x_denoised diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/embedders.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/embedders.py new file mode 100644 index 0000000000000000000000000000000000000000..599e8ba75ce1e8341b16a23ee6516828051b4f59 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/embedders.py @@ -0,0 +1,256 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Any, Optional, Union + +import torch +import torch.nn as nn +import torch.nn.functional as F + +from protenix.model.modules.primitives import LinearNoBias +from protenix.model.modules.transformer import AtomAttentionEncoder + + +class InputFeatureEmbedder(nn.Module): + """ + Implements Algorithm 2 in AF3 + """ + + def __init__( + self, + c_atom: int = 128, + c_atompair: int = 16, + c_token: int = 384, + ) -> None: + """ + Args: + c_atom (int, optional): atom embedding dim. Defaults to 128. + c_atompair (int, optional): atom pair embedding dim. Defaults to 16. + c_token (int, optional): token embedding dim. Defaults to 384. + """ + super(InputFeatureEmbedder, self).__init__() + self.c_atom = c_atom + self.c_atompair = c_atompair + self.c_token = c_token + self.atom_attention_encoder = AtomAttentionEncoder( + c_atom=c_atom, + c_atompair=c_atompair, + c_token=c_token, + has_coords=False, + ) + # Line2 + self.input_feature = {"restype": 32, "profile": 32, "deletion_mean": 1} + + def forward( + self, + input_feature_dict: dict[str, Any], + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + Args: + input_feature_dict (Dict[str, Any]): dict of input features + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + torch.Tensor: token embedding + [..., N_token, 384 (c_token) + 32 + 32 + 1 :=449] + """ + # Embed per-atom features. + a, _, _, _ = self.atom_attention_encoder( + input_feature_dict=input_feature_dict, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) # [..., N_token, c_token] + # Concatenate the per-token features. + batch_shape = input_feature_dict["restype"].shape[:-1] + s_inputs = torch.cat( + [a] + + [ + input_feature_dict[name].reshape(*batch_shape, d) + for name, d in self.input_feature.items() + ], + dim=-1, + ) + return s_inputs + + +class RelativePositionEncoding(nn.Module): + """ + Implements Algorithm 3 in AF3 + """ + + def __init__(self, r_max: int = 32, s_max: int = 2, c_z: int = 128) -> None: + """ + Args: + r_max (int, optional): Relative position indices clip value. Defaults to 32. + s_max (int, optional): Relative chain indices clip value. Defaults to 2. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + """ + super(RelativePositionEncoding, self).__init__() + self.r_max = r_max + self.s_max = s_max + self.c_z = c_z + self.linear_no_bias = LinearNoBias( + in_features=(4 * self.r_max + 2 * self.s_max + 7), out_features=self.c_z + ) + self.input_feature = { + "asym_id": 1, + "residue_index": 1, + "entity_id": 1, + "sym_id": 1, + "token_index": 1, + } + + def forward(self, input_feature_dict: dict[str, Any]) -> torch.Tensor: + """ + Args: + input_feature_dict (Dict[str, Any]): input meta feature dict. + asym_id / residue_index / entity_id / sym_id / token_index + [..., N_tokens] + Returns: + torch.Tensor: relative position encoding + [..., N_token, N_token, c_z] + """ + b_same_chain = ( + input_feature_dict["asym_id"][..., :, None] + == input_feature_dict["asym_id"][..., None, :] + ).long() # [..., N_token, N_token] + b_same_residue = ( + input_feature_dict["residue_index"][..., :, None] + == input_feature_dict["residue_index"][..., None, :] + ).long() # [..., N_token, N_token] + b_same_entity = ( + input_feature_dict["entity_id"][..., :, None] + == input_feature_dict["entity_id"][..., None, :] + ).long() # [..., N_token, N_token] + d_residue = torch.clip( + input=input_feature_dict["residue_index"][..., :, None] + - input_feature_dict["residue_index"][..., None, :] + + self.r_max, + min=0, + max=2 * self.r_max, + ) * b_same_chain + (1 - b_same_chain) * ( + 2 * self.r_max + 1 + ) # [..., N_token, N_token] + a_rel_pos = F.one_hot(d_residue, 2 * (self.r_max + 1)) + d_token = torch.clip( + input=input_feature_dict["token_index"][..., :, None] + - input_feature_dict["token_index"][..., None, :] + + self.r_max, + min=0, + max=2 * self.r_max, + ) * b_same_chain * b_same_residue + (1 - b_same_chain * b_same_residue) * ( + 2 * self.r_max + 1 + ) # [..., N_token, N_token] + a_rel_token = F.one_hot(d_token, 2 * (self.r_max + 1)) + d_chain = torch.clip( + input=input_feature_dict["sym_id"][..., :, None] + - input_feature_dict["sym_id"][..., None, :] + + self.s_max, + min=0, + max=2 * self.s_max, + ) * b_same_entity + (1 - b_same_entity) * ( + 2 * self.s_max + 1 + ) # [..., N_token, N_token] + a_rel_chain = F.one_hot(d_chain, 2 * (self.s_max + 1)) + + if self.training: + p = self.linear_no_bias( + torch.cat( + [a_rel_pos, a_rel_token, b_same_entity[..., None], a_rel_chain], + dim=-1, + ).float() + ) # [..., N_token, N_token, 2 * (self.r_max + 1)+ 2 * (self.r_max + 1)+ 1 + 2 * (self.s_max + 1)] -> [..., N_token, N_token, c_z] + return p + else: + del d_chain, d_token, d_residue, b_same_chain, b_same_residue + origin_shape = a_rel_pos.shape[:-1] + Ntoken = a_rel_pos.shape[-2] + a_rel_pos = a_rel_pos.reshape(-1, a_rel_pos.shape[-1]) + chunk_num = 1 if Ntoken < 3200 else 8 + a_rel_pos_chunks = torch.chunk( + a_rel_pos.reshape(-1, a_rel_pos.shape[-1]), chunk_num, dim=-2 + ) + a_rel_token_chunks = torch.chunk( + a_rel_token.reshape(-1, a_rel_token.shape[-1]), chunk_num, dim=-2 + ) + b_same_entity_chunks = torch.chunk( + b_same_entity.reshape(-1, 1), chunk_num, dim=-2 + ) + a_rel_chain_chunks = torch.chunk( + a_rel_chain.reshape(-1, a_rel_chain.shape[-1]), chunk_num, dim=-2 + ) + start = 0 + p = None + for i in range(len(a_rel_pos_chunks)): + data = torch.cat( + [ + a_rel_pos_chunks[i], + a_rel_token_chunks[i], + b_same_entity_chunks[i], + a_rel_chain_chunks[i], + ], + dim=-1, + ).float() + result = self.linear_no_bias(data) + del data + if p is None: + p = torch.empty( + (a_rel_pos.shape[-2], self.c_z), + device=a_rel_pos.device, + dtype=result.dtype, + ) + p[start : start + result.shape[0]] = result + start += result.shape[0] + del result + del a_rel_pos, a_rel_token, b_same_entity, a_rel_chain + p = p.reshape(*origin_shape, -1) + return p + + +class FourierEmbedding(nn.Module): + """ + Implements Algorithm 22 in AF3 + """ + + def __init__(self, c: int, seed: int = 42) -> None: + """ + Args: + c (int): embedding dim. + """ + super(FourierEmbedding, self).__init__() + self.c = c + self.seed = seed + generator = torch.Generator() + generator.manual_seed(seed) + w_value = torch.randn(size=(c,), generator=generator) + self.w = nn.Parameter(w_value, requires_grad=False) + b_value = torch.randn(size=(c,), generator=generator) + self.b = nn.Parameter(b_value, requires_grad=False) + + def forward(self, t_hat_noise_level: torch.Tensor) -> torch.Tensor: + """ + Args: + t_hat_noise_level (torch.Tensor): the noise level + [..., N_sample] + + Returns: + torch.Tensor: the output fourier embedding + [..., N_sample, c] + """ + return torch.cos( + input=2 * torch.pi * (t_hat_noise_level.unsqueeze(dim=-1) * self.w + self.b) + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/frames.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/frames.py new file mode 100644 index 0000000000000000000000000000000000000000..e5691acef1dd8e3b476f5c5295e85b0779e8d9ff --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/frames.py @@ -0,0 +1,108 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch +import torch.nn.functional as F + +from protenix.model.utils import batched_gather + + +def expressCoordinatesInFrame( + coordinate: torch.Tensor, frames: torch.Tensor, eps: float = 1e-8 +) -> torch.Tensor: + """Algorithm 29 Express coordinate in frame + + Args: + coordinate (torch.Tensor): the input coordinate + [..., N_atom, 3] + frames (torch.Tensor): the input frames + [..., N_frame, 3, 3] + eps (float): Small epsilon value + + Returns: + torch.Tensor: the transformed coordinate projected onto frame basis + [..., N_frame, N_atom, 3] + """ + # Extract frame atoms + a, b, c = torch.unbind(frames, dim=-2) # a, b, c shape: [..., N_frame, 3] + w1 = F.normalize(a - b, dim=-1, eps=eps) + w2 = F.normalize(c - b, dim=-1, eps=eps) + # Build orthonormal basis + e1 = F.normalize(w1 + w2, dim=-1, eps=eps) + e2 = F.normalize(w2 - w1, dim=-1, eps=eps) + e3 = torch.cross(e1, e2, dim=-1) # [..., N_frame, 3] + # Project onto frame basis + d = coordinate[..., None, :, :] - b[..., None, :] # [..., N_frame, N_atom, 3] + x_transformed = torch.cat( + [ + torch.sum(d * e1[..., None, :], dim=-1, keepdim=True), + torch.sum(d * e2[..., None, :], dim=-1, keepdim=True), + torch.sum(d * e3[..., None, :], dim=-1, keepdim=True), + ], + dim=-1, + ) # [..., N_frame, N_atom, 3] + return x_transformed + + +def gather_frame_atom_by_indices( + coordinate: torch.Tensor, frame_atom_index: torch.Tensor, dim: int = -2 +) -> torch.Tensor: + """construct frames from coordinate + + Args: + coordinate (torch.Tensor): the input coordinate + [..., N_atom, 3] + frame_atom_index (torch.Tensor): indices of three atoms in each frame + [..., N_frame, 3] or [N_frame, 3] + dim (torch.Tensor): along which dimension to select the frame atoms + Returns: + torch.Tensor: the constructed frames + [..., N_frame, 3[three atom], 3[three coordinate]] + """ + if len(frame_atom_index.shape) == 2: + # the navie case + x1 = torch.index_select( + coordinate, dim=dim, index=frame_atom_index[:, 0] + ) # [..., N_frame, 3] + x2 = torch.index_select( + coordinate, dim=dim, index=frame_atom_index[:, 1] + ) # [..., N_frame, 3] + x3 = torch.index_select( + coordinate, dim=dim, index=frame_atom_index[:, 2] + ) # [..., N_frame, 3] + return torch.stack([x1, x2, x3], dim=dim) + else: + assert ( + frame_atom_index.shape[:dim] == coordinate.shape[:dim] + ), "batch size dims should match" + + x1 = batched_gather( + data=coordinate, + inds=frame_atom_index[..., 0], + dim=dim, + no_batch_dims=len(coordinate.shape[:dim]), + ) # [..., N_frame, 3] + x2 = batched_gather( + data=coordinate, + inds=frame_atom_index[..., 1], + dim=dim, + no_batch_dims=len(coordinate.shape[:dim]), + ) # [..., N_frame, 3] + x3 = batched_gather( + data=coordinate, + inds=frame_atom_index[..., 2], + dim=dim, + no_batch_dims=len(coordinate.shape[:dim]), + ) # [..., N_frame, 3] + return torch.stack([x1, x2, x3], dim=dim) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/head.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/head.py new file mode 100644 index 0000000000000000000000000000000000000000..15d82ed431a3257f36c8c3dcc471a1931150e2e6 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/head.py @@ -0,0 +1,53 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch +import torch.nn as nn +from torch.nn import Linear + + +# Adapted From openfold.model.heads +class DistogramHead(nn.Module): + """Implements Algorithm 1 [Line17] in AF3 + Computes a distogram probability distribution. + For use in computation of distogram loss, subsection 1.9.8 (AF2) + """ + + def __init__(self, c_z: int = 128, no_bins: int = 64) -> None: + """ + Args: + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + no_bins (int, optional): Number of distogram bins. Defaults to 64. + """ + super(DistogramHead, self).__init__() + + self.c_z = c_z + self.no_bins = no_bins + + self.linear = Linear(in_features=self.c_z, out_features=self.no_bins) + + def forward(self, z: torch.Tensor) -> torch.Tensor: # [*, N, N, C_z] + """ + Args: + z (torch.Tensor): pair embedding + [*, N_token, N_token, C_z] + + Returns: + torch.Tensor: distogram probability distribution + [*, N_token, N_token, no_bins] + """ + # [*, N, N, no_bins] + logits = self.linear(z) + logits = logits + logits.transpose(-2, -3) + return logits diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/pairformer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/pairformer.py new file mode 100644 index 0000000000000000000000000000000000000000..ad40f4b683c4e5699eb4e81ad5cc69b4cc3294b6 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/pairformer.py @@ -0,0 +1,827 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +# pylint: disable=C0114 +from functools import partial +from typing import Any, Optional, Union + +import torch +import torch.nn as nn + +from protenix.model.modules.primitives import LinearNoBias, Transition +from protenix.model.modules.transformer import AttentionPairBias +from protenix.model.utils import sample_msa_feature_dict_random_without_replacement +from protenix.openfold_local.model.dropout import DropoutRowwise +from protenix.openfold_local.model.outer_product_mean import ( + OuterProductMean, # Alg 9 in AF3 +) +from protenix.openfold_local.model.primitives import LayerNorm +from protenix.openfold_local.model.triangular_attention import TriangleAttention +from protenix.openfold_local.model.triangular_multiplicative_update import ( + TriangleMultiplicationIncoming, # Alg 13 in AF3 +) +from protenix.openfold_local.model.triangular_multiplicative_update import ( + TriangleMultiplicationOutgoing, # Alg 12 in AF3 +) +from protenix.openfold_local.utils.checkpointing import checkpoint_blocks + + +class PairformerBlock(nn.Module): + """Implements Algorithm 17 [Line2-Line8] in AF3 + c_hidden_mul is set as openfold + Ref to: + https://github.com/aqlaboratory/openfold/blob/feb45a521e11af1db241a33d58fb175e207f8ce0/openfold/model/evoformer.py#L123 + """ + + def __init__( + self, + n_heads: int = 16, + c_z: int = 128, + c_s: int = 384, + c_hidden_mul: int = 128, + c_hidden_pair_att: int = 32, + no_heads_pair: int = 4, + dropout: float = 0.25, + ) -> None: + """ + Args: + n_heads (int, optional): number of head [for AttentionPairBias]. Defaults to 16. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + c_hidden_mul (int, optional): hidden dim [for TriangleMultiplicationOutgoing]. + Defaults to 128. + c_hidden_pair_att (int, optional): hidden dim [for TriangleAttention]. Defaults to 32. + no_heads_pair (int, optional): number of head [for TriangleAttention]. Defaults to 4. + dropout (float, optional): dropout ratio [for TriangleUpdate]. Defaults to 0.25. + """ + super(PairformerBlock, self).__init__() + self.n_heads = n_heads + self.tri_mul_out = TriangleMultiplicationOutgoing( + c_z=c_z, c_hidden=c_hidden_mul + ) + self.tri_mul_in = TriangleMultiplicationIncoming(c_z=c_z, c_hidden=c_hidden_mul) + self.tri_att_start = TriangleAttention( + c_in=c_z, + c_hidden=c_hidden_pair_att, + no_heads=no_heads_pair, + ) + self.tri_att_end = TriangleAttention( + c_in=c_z, + c_hidden=c_hidden_pair_att, + no_heads=no_heads_pair, + ) + self.dropout_row = DropoutRowwise(dropout) + self.pair_transition = Transition(c_in=c_z, n=4) + self.c_s = c_s + if self.c_s > 0: + self.attention_pair_bias = AttentionPairBias( + has_s=False, n_heads=n_heads, c_a=c_s, c_z=c_z + ) + self.single_transition = Transition(c_in=c_s, n=4) + + def forward( + self, + s: Optional[torch.Tensor], + z: torch.Tensor, + pair_mask: torch.Tensor, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[Optional[torch.Tensor], torch.Tensor]: + """ + Forward pass of the PairformerBlock. + + Args: + s (Optional[torch.Tensor]): single feature + [..., N_token, c_s] + z (torch.Tensor): pair embedding + [..., N_token, N_token, c_z] + pair_mask (torch.Tensor): pair mask + [..., N_token, N_token] + use_memory_efficient_kernel (bool): Whether to use memory-efficient kernel. Defaults to False. + use_deepspeed_evo_attention (bool): Whether to use DeepSpeed evolutionary attention. Defaults to False. + use_lma (bool): Whether to use low-memory attention. Defaults to False. + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + tuple[Optional[torch.Tensor], torch.Tensor]: the update of s[Optional] and z + [..., N_token, c_s] | None + [..., N_token, N_token, c_z] + """ + if inplace_safe: + z = self.tri_mul_out( + z, mask=pair_mask, inplace_safe=inplace_safe, _add_with_inplace=True + ) + z = self.tri_mul_in( + z, mask=pair_mask, inplace_safe=inplace_safe, _add_with_inplace=True + ) + z += self.tri_att_start( + z, + mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + z = z.transpose(-2, -3).contiguous() + z += self.tri_att_end( + z, + mask=pair_mask.tranpose(-1, -2) if pair_mask is not None else None, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + z = z.transpose(-2, -3).contiguous() + z += self.pair_transition(z) + if self.c_s > 0: + s += self.attention_pair_bias( + a=s, + s=None, + z=z, + ) + s += self.single_transition(s) + return s, z + else: + tmu_update = self.tri_mul_out( + z, mask=pair_mask, inplace_safe=inplace_safe, _add_with_inplace=False + ) + z = z + self.dropout_row(tmu_update) + del tmu_update + tmu_update = self.tri_mul_in( + z, mask=pair_mask, inplace_safe=inplace_safe, _add_with_inplace=False + ) + z = z + self.dropout_row(tmu_update) + del tmu_update + z = z + self.dropout_row( + self.tri_att_start( + z, + mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + ) + z = z.transpose(-2, -3) + z = z + self.dropout_row( + self.tri_att_end( + z, + mask=pair_mask.tranpose(-1, -2) if pair_mask is not None else None, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + ) + z = z.transpose(-2, -3) + + z = z + self.pair_transition(z) + if self.c_s > 0: + s = s + self.attention_pair_bias( + a=s, + s=None, + z=z, + ) + s = s + self.single_transition(s) + return s, z + + +class PairformerStack(nn.Module): + """ + Implements Algorithm 17 [PairformerStack] in AF3 + """ + + def __init__( + self, + n_blocks: int = 48, + n_heads: int = 16, + c_z: int = 128, + c_s: int = 384, + dropout: float = 0.25, + blocks_per_ckpt: Optional[int] = None, + ) -> None: + """ + Args: + n_blocks (int, optional): number of blocks [for PairformerStack]. Defaults to 48. + n_heads (int, optional): number of head [for AttentionPairBias]. Defaults to 16. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + dropout (float, optional): dropout ratio. Defaults to 0.25. + blocks_per_ckpt: number of Pairformer blocks in each activation checkpoint + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + """ + super(PairformerStack, self).__init__() + self.n_blocks = n_blocks + self.n_heads = n_heads + self.blocks_per_ckpt = blocks_per_ckpt + self.blocks = nn.ModuleList() + + for _ in range(n_blocks): + block = PairformerBlock(n_heads=n_heads, c_z=c_z, c_s=c_s, dropout=dropout) + self.blocks.append(block) + + def _prep_blocks( + self, + pair_mask: Optional[torch.Tensor], + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + clear_cache_between_blocks: bool = False, + ): + blocks = [ + partial( + b, + pair_mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + for b in self.blocks + ] + + def clear_cache(b, *args, **kwargs): + torch.cuda.empty_cache() + return b(*args, **kwargs) + + if clear_cache_between_blocks: + blocks = [partial(clear_cache, b) for b in blocks] + return blocks + + def forward( + self, + s: torch.Tensor, + z: torch.Tensor, + pair_mask: torch.Tensor, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[torch.Tensor, torch.Tensor]: + """ + Args: + s (Optional[torch.Tensor]): single feature + [..., N_token, c_s] + z (torch.Tensor): pair embedding + [..., N_token, N_token, c_z] + pair_mask (torch.Tensor): pair mask + [..., N_token, N_token] + use_memory_efficient_kernel (bool): Whether to use memory-efficient kernel. Defaults to False. + use_deepspeed_evo_attention (bool): Whether to use DeepSpeed evolutionary attention. Defaults to False. + use_lma (bool): Whether to use low-memory attention. Defaults to False. + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + tuple[torch.Tensor, torch.Tensor]: the update of s and z + [..., N_token, c_s] + [..., N_token, N_token, c_z] + """ + if z.shape[-2] > 2000 and (not self.training): + clear_cache_between_blocks = True + else: + clear_cache_between_blocks = False + blocks = self._prep_blocks( + pair_mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + clear_cache_between_blocks=clear_cache_between_blocks, + ) + + blocks_per_ckpt = self.blocks_per_ckpt + if not torch.is_grad_enabled(): + blocks_per_ckpt = None + s, z = checkpoint_blocks( + blocks, + args=(s, z), + blocks_per_ckpt=blocks_per_ckpt, + ) + return s, z + + +class MSAPairWeightedAveraging(nn.Module): + """ + Implements Algorithm 10 [MSAPairWeightedAveraging] in AF3 + """ + + def __init__(self, c_m: int = 64, c: int = 32, c_z: int = 128, n_heads=8) -> None: + """ + + Args: + c_m (int, optional): hidden dim [for msa embedding]. Defaults to 64. + c (int, optional): hidden [for MSAPairWeightedAveraging] dim. Defaults to 32. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + n_heads (int, optional): number of heads [for MSAPairWeightedAveraging]. Defaults to 8. + """ + super(MSAPairWeightedAveraging, self).__init__() + self.c_m = c_m + self.c = c + self.n_heads = n_heads + self.c_z = c_z + # Input projections + self.layernorm_m = LayerNorm(self.c_m) + self.linear_no_bias_mv = LinearNoBias( + in_features=self.c_m, out_features=self.c * self.n_heads + ) + self.layernorm_z = LayerNorm(self.c_z) + self.linear_no_bias_z = LinearNoBias( + in_features=self.c_z, out_features=self.n_heads + ) + self.linear_no_bias_mg = LinearNoBias( + in_features=self.c_m, out_features=self.c * self.n_heads + ) + # Weighted average with gating + self.softmax_w = nn.Softmax(dim=-2) + # Output projection + self.linear_no_bias_out = LinearNoBias( + in_features=self.c * self.n_heads, out_features=self.c_m + ) + + def forward(self, m: torch.Tensor, z: torch.Tensor) -> torch.Tensor: + """ + Args: + m (torch.Tensor): msa embedding + [...,n_msa_sampled, n_token, c_m] + z (torch.Tensor): pair embedding + [...,n_token, n_token, c_z] + Returns: + torch.Tensor: updated msa embedding + [...,n_msa_sampled, n_token, c_m] + """ + # Input projections + m = self.layernorm_m(m) # [...,n_msa_sampled, n_token, c_m] + v = self.linear_no_bias_mv(m) # [...,n_msa_sampled, n_token, n_heads * c] + v = v.reshape( + *v.shape[:-1], self.n_heads, self.c + ) # [...,n_msa_sampled, n_token, n_heads, c] + b = self.linear_no_bias_z( + self.layernorm_z(z) + ) # [...,n_token, n_token, n_heads] + g = torch.sigmoid( + self.linear_no_bias_mg(m) + ) # [...,n_msa_sampled, n_token, n_heads * c] + g = g.reshape( + *g.shape[:-1], self.n_heads, self.c + ) # [...,n_msa_sampled, n_token, n_heads, c] + w = self.softmax_w(b) # [...,n_token, n_token, n_heads] + wv = torch.einsum( + "...ijh,...mjhc->...mihc", w, v + ) # [...,n_msa_sampled,n_token,n_heads,c] + o = g * wv + o = o.reshape( + *o.shape[:-2], self.n_heads * self.c + ) # [...,n_msa_sampled, n_token, n_heads * c] + m = self.linear_no_bias_out(o) # [...,n_msa_sampled, n_token, c_m] + return m + + +class MSAStack(nn.Module): + """ + Implements MSAStack Line7-Line8 in Algorithm 8 + """ + + def __init__(self, c_m: int = 64, c: int = 8, dropout: float = 0.15) -> None: + """ + Args: + c_m (int, optional): hidden dim [for msa embedding]. Defaults to 64. + c (int, optional): hidden [for MSAStack] dim. Defaults to 8. + dropout (float, optional): dropout ratio. Defaults to 0.15. + """ + super(MSAStack, self).__init__() + self.c = c + self.msa_pair_weighted_averaging = MSAPairWeightedAveraging(c=self.c) + self.dropout_row = DropoutRowwise(dropout) + self.transition_m = Transition(c_in=c_m, n=4) + + def forward(self, m: torch.Tensor, z: torch.Tensor) -> torch.Tensor: + """ + Args: + m (torch.Tensor): msa embedding + [...,n_msa_sampled, n_token, c_m] + z (torch.Tensor): pair embedding + [...,n_token, n_token, c_z] + + Returns: + torch.Tensor: updated msa embedding + [...,n_msa_sampled, n_token, c_m] + """ + m = m + self.dropout_row(self.msa_pair_weighted_averaging(m, z)) + m = m + self.transition_m(m) + return m + + +class MSABlock(nn.Module): + """ + Base MSA Block, Line6-Line13 in Algorithm 8 + """ + + def __init__( + self, + c_m: int = 64, + c_z: int = 128, + c_hidden: int = 32, + is_last_block: bool = False, + msa_dropout: float = 0.15, + pair_dropout: float = 0.25, + ) -> None: + """ + Args: + c_m (int, optional): hidden dim [for msa embedding]. Defaults to 64. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_hidden (int, optional): hidden dim [for MSABlock]. Defaults to 32. + is_last_block (int): if this is the last block of MSAModule. Defaults to False. + msa_dropout (float, optional): dropout ratio for msa block. Defaults to 0.15. + pair_dropout (float, optional): dropout ratio for pair stack. Defaults to 0.25. + """ + super(MSABlock, self).__init__() + self.c_m = c_m + self.c_z = c_z + self.c_hidden = c_hidden + self.is_last_block = is_last_block + # Communication + self.outer_product_mean_msa = OuterProductMean( + c_m=self.c_m, c_z=self.c_z, c_hidden=self.c_hidden + ) + if not self.is_last_block: + # MSA stack + self.msa_stack = MSAStack(c_m=self.c_m, dropout=msa_dropout) + # Pair stack + self.pair_stack = PairformerBlock(c_z=c_z, c_s=0, dropout=pair_dropout) + + def forward( + self, + m: torch.Tensor, + z: torch.Tensor, + pair_mask, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[torch.Tensor, torch.Tensor]: + """ + Args: + m (torch.Tensor): msa embedding + [...,n_msa_sampled, n_token, c_m] + z (torch.Tensor): pair embedding + [...,n_token, n_token, c_z] + pair_mask (torch.Tensor): pair mask + [..., N_token, N_token] + use_memory_efficient_kernel (bool): Whether to use memory-efficient kernel. Defaults to False. + use_deepspeed_evo_attention (bool): Whether to use DeepSpeed evolutionary attention. Defaults to False. + use_lma (bool): Whether to use low-memory attention. Defaults to False. + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + tuple[torch.Tensor, torch.Tensor]: updated m z of MSABlock + [...,n_msa_sampled, n_token, c_m] + [...,n_token, n_token, c_z] + """ + # Communication + z = z + self.outer_product_mean_msa( + m, inplace_safe=inplace_safe, chunk_size=chunk_size + ) + if not self.is_last_block: + # MSA stack + m = self.msa_stack(m, z) + # Pair stack + _, z = self.pair_stack( + s=None, + z=z, + pair_mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + if not self.is_last_block: + return m, z + else: + return None, z # to ensure that `m` will not be used. + + +class MSAModule(nn.Module): + """ + Implements Algorithm 8 [MSAModule] in AF3 + """ + + def __init__( + self, + n_blocks: int = 4, + c_m: int = 64, + c_z: int = 128, + c_s_inputs: int = 449, + msa_dropout: float = 0.15, + pair_dropout: float = 0.25, + blocks_per_ckpt: Optional[int] = 1, + msa_configs: dict = None, + ) -> None: + """Main Entry of MSAModule + + Args: + n_blocks (int, optional): number of blocks [for MSAModule]. Defaults to 4. + c_m (int, optional): hidden dim [for msa embedding]. Defaults to 64. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + c_s_inputs (int, optional): + hidden dim for single embedding from InputFeatureEmbedder. Defaults to 449. + msa_dropout (float, optional): dropout ratio for msa block. Defaults to 0.15. + pair_dropout (float, optional): dropout ratio for pair stack. Defaults to 0.25. + blocks_per_ckpt: number of MSAModule blocks in each activation checkpoint + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + msa_configs (dict, optional): a dictionary containing keys: + "enable": whether using msa embedding. + ]""" + super(MSAModule, self).__init__() + self.n_blocks = n_blocks + self.c_m = c_m + self.c_s_inputs = c_s_inputs + self.blocks_per_ckpt = blocks_per_ckpt + self.input_feature = { + "msa": 32, + "has_deletion": 1, + "deletion_value": 1, + } + + self.msa_configs = { + "enable": msa_configs.get("enable", False), + "strategy": msa_configs.get("strategy", "random"), + } + if "sample_cutoff" in msa_configs: + self.msa_configs["train_cutoff"] = msa_configs["sample_cutoff"].get( + "train", 512 + ) + self.msa_configs["test_cutoff"] = msa_configs["sample_cutoff"].get( + "test", 16384 + ) + if "min_size" in msa_configs: + self.msa_configs["train_lowerb"] = msa_configs["min_size"].get("train", 1) + self.msa_configs["test_lowerb"] = msa_configs["min_size"].get("test", 1) + + self.linear_no_bias_m = LinearNoBias( + in_features=32 + 1 + 1, out_features=self.c_m + ) + + self.linear_no_bias_s = LinearNoBias( + in_features=self.c_s_inputs, out_features=self.c_m + ) + self.blocks = nn.ModuleList() + + for i in range(n_blocks): + block = MSABlock( + c_m=self.c_m, + c_z=c_z, + is_last_block=(i + 1 == n_blocks), + msa_dropout=msa_dropout, + pair_dropout=pair_dropout, + ) + self.blocks.append(block) + + def _prep_blocks( + self, + pair_mask: Optional[torch.Tensor], + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + clear_cache_between_blocks: bool = False, + ): + blocks = [ + partial( + b, + pair_mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + for b in self.blocks + ] + + def clear_cache(b, *args, **kwargs): + torch.cuda.empty_cache() + return b(*args, **kwargs) + + if clear_cache_between_blocks: + blocks = [partial(clear_cache, b) for b in blocks] + return blocks + + def forward( + self, + input_feature_dict: dict[str, Any], + z: torch.Tensor, + s_inputs: torch.Tensor, + pair_mask: torch.Tensor, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + Args: + input_feature_dict (dict[str, Any]): + input meta feature dict + z (torch.Tensor): pair embedding + [..., N_token, N_token, c_z] + s_inputs (torch.Tensor): single embedding from InputFeatureEmbedder + [..., N_token, c_s_inputs] + pair_mask (torch.Tensor): pair mask + [..., N_token, N_token] + use_memory_efficient_kernel (bool): Whether to use memory-efficient kernel. Defaults to False. + use_deepspeed_evo_attention (bool): Whether to use DeepSpeed evolutionary attention. Defaults to False. + use_lma (bool): Whether to use low-memory attention. Defaults to False. + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + torch.Tensor: the updated z + [..., N_token, N_token, c_z] + """ + # If n_blocks < 1, return z + if self.n_blocks < 1: + return z + + if "msa" not in input_feature_dict: + return z + + msa_feat = sample_msa_feature_dict_random_without_replacement( + feat_dict=input_feature_dict, + dim_dict={feat_name: -2 for feat_name in self.input_feature}, + cutoff=( + self.msa_configs["train_cutoff"] + if self.training + else self.msa_configs["test_cutoff"] + ), + lower_bound=( + self.msa_configs["train_lowerb"] + if self.training + else self.msa_configs["test_lowerb"] + ), + strategy=self.msa_configs["strategy"], + ) + # pylint: disable=E1102 + msa_feat["msa"] = torch.nn.functional.one_hot( + msa_feat["msa"], + num_classes=self.input_feature["msa"], + ) + + target_shape = msa_feat["msa"].shape[:-1] + msa_sample = torch.cat( + [ + msa_feat[name].reshape(*target_shape, d) + for name, d in self.input_feature.items() + ], + dim=-1, + ) # [..., N_msa_sample, N_token, 32 + 1 + 1] + # Line2 + msa_sample = self.linear_no_bias_m(msa_sample) + + # Auto broadcast [...,n_msa_sampled, n_token, c_m] + msa_sample = msa_sample + self.linear_no_bias_s(s_inputs) + if z.shape[-2] > 2000 and (not self.training): + clear_cache_between_blocks = True + else: + clear_cache_between_blocks = False + blocks = self._prep_blocks( + pair_mask=pair_mask, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + clear_cache_between_blocks=clear_cache_between_blocks, + ) + blocks_per_ckpt = self.blocks_per_ckpt + if not torch.is_grad_enabled(): + blocks_per_ckpt = None + msa_sample, z = checkpoint_blocks( + blocks, + args=(msa_sample, z), + blocks_per_ckpt=blocks_per_ckpt, + ) + if z.shape[-2] > 2000: + torch.cuda.empty_cache() + return z + + +class TemplateEmbedder(nn.Module): + """ + Implements Algorithm 16 in AF3 + """ + + def __init__( + self, + n_blocks: int = 2, + c: int = 64, + c_z: int = 128, + dropout: float = 0.25, + blocks_per_ckpt: Optional[int] = None, + ) -> None: + """ + Args: + n_blocks (int, optional): number of blocks for TemplateEmbedder. Defaults to 2. + c (int, optional): hidden dim of TemplateEmbedder. Defaults to 64. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + dropout (float, optional): dropout ratio for PairformerStack. Defaults to 0.25. + Note this value is missed in Algorithm 16, so we use default ratio for Pairformer + blocks_per_ckpt: number of TemplateEmbedder/Pairformer blocks in each activation + checkpoint Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + """ + super(TemplateEmbedder, self).__init__() + self.n_blocks = n_blocks + self.c = c + self.c_z = c_z + self.input_feature1 = { + "template_distogram": 39, + "b_template_backbone_frame_mask": 1, + "template_unit_vector": 3, + "b_template_pseudo_beta_mask": 1, + } + self.input_feature2 = { + "template_restype_i": 32, + "template_restype_j": 32, + } + self.distogram = {"max_bin": 50.75, "min_bin": 3.25, "no_bins": 39} + self.inf = 100000.0 + + self.linear_no_bias_z = LinearNoBias(in_features=self.c_z, out_features=self.c) + self.layernorm_z = LayerNorm(self.c_z) + self.linear_no_bias_a = LinearNoBias( + in_features=sum(self.input_feature1.values()) + + sum(self.input_feature2.values()), + out_features=self.c, + ) + self.pairformer_stack = PairformerStack( + c_s=0, + c_z=c, + n_blocks=self.n_blocks, + dropout=dropout, + blocks_per_ckpt=blocks_per_ckpt, + ) + self.layernorm_v = LayerNorm(self.c) + self.linear_no_bias_u = LinearNoBias(in_features=self.c, out_features=self.c_z) + + def forward( + self, + input_feature_dict: dict[str, Any], + z: torch.Tensor, # pylint: disable=W0613 + pair_mask: torch.Tensor = None, # pylint: disable=W0613 + use_memory_efficient_kernel: bool = False, # pylint: disable=W0613 + use_deepspeed_evo_attention: bool = False, # pylint: disable=W0613 + use_lma: bool = False, # pylint: disable=W0613 + inplace_safe: bool = False, # pylint: disable=W0613 + chunk_size: Optional[int] = None, # pylint: disable=W0613 + ) -> torch.Tensor: + """ + Args: + input_feature_dict (dict[str, Any]): input feature dict + z (torch.Tensor): pair embedding + [..., N_token, N_token, c_z] + pair_mask (torch.Tensor, optional): pair masking. Default to None. + [..., N_token, N_token] + + Returns: + torch.Tensor: the template feature + [..., N_token, N_token, c_z] + """ + # In this version, we do not use TemplateEmbedder by setting n_blocks=0 + if "template_restype" not in input_feature_dict or self.n_blocks < 1: + return 0 + return 0 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/primitives.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/primitives.py new file mode 100644 index 0000000000000000000000000000000000000000..b0624726c64847a9af14bf71caee3837e53a4570 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/primitives.py @@ -0,0 +1,887 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import math +from functools import partial +from typing import Optional, Union + +import torch +import torch.nn as nn +import torch.nn.functional as F +from torch.nn import Linear + +from protenix.model.utils import ( + flatten_final_dims, + move_final_dim_to_dim, + pad_at_dim, + reshape_at_dim, +) +from protenix.openfold_local.model.primitives import LayerNorm +from protenix.openfold_local.utils.chunk_utils import chunk_layer + +LinearNoBias = partial(Linear, bias=False) + + +class AdaptiveLayerNorm(nn.Module): + """ + Implements Algorithm 26 in AF3 + """ + + def __init__(self, c_a: int = 768, c_s: int = 384) -> None: + """ + Args: + c_a (int, optional): the embedding dim of a(single feature aggregated atom info). Defaults to 768. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + """ + super(AdaptiveLayerNorm, self).__init__() + self.layernorm_a = nn.LayerNorm(c_a, elementwise_affine=False, bias=False) + # The pytorch version should be newer than 2.1 + self.layernorm_s = nn.LayerNorm(c_s, bias=False) + self.linear_s = Linear(in_features=c_s, out_features=c_a) + self.linear_nobias_s = LinearNoBias(in_features=c_s, out_features=c_a) + + def zero_init(self): + nn.init.zeros_(self.linear_s.weight) + nn.init.zeros_(self.linear_s.bias) + nn.init.zeros_(self.linear_nobias_s.weight) + + def forward(self, a: torch.Tensor, s: torch.Tensor) -> torch.Tensor: + """ + Args: + a (torch.Tensor): the single feature aggregate per-atom representation + [..., N_token, c_a] + s (torch.Tensor): single embedding + [..., N_token, c_s] + + Returns: + torch.Tensor: the updated a from AdaLN + [..., N_token, c_a] + """ + a = self.layernorm_a(a) + s = self.layernorm_s(s) + a = torch.sigmoid(self.linear_s(s)) * a + self.linear_nobias_s(s) + return a + + +class BiasInitLinear(Linear): + """Support biasinit for nn.Linear Called just like torch.nn.Linear.""" + + def __init__( + self, + in_features: int, + out_features: int, + bias: bool = True, + biasinit: float = 0.0, + ) -> None: + """ + Args: + in_features (int): in_features + out_features (int): out_features + bias (bool, optional): whether add bias. Defaults to True. + biasinit (float, optional): the initial bias value. Defaults to 0.0. + """ + super(BiasInitLinear, self).__init__( + in_features=in_features, out_features=out_features, bias=bias + ) + nn.init.zeros_(tensor=self.weight) + if bias: + nn.init.constant_(tensor=self.bias, val=biasinit) + + +class Transition(nn.Module): + """ + Implements Algorithm 11 in AF3 + """ + + def __init__(self, c_in: int, n: int) -> None: + """ + Args: + c_in (int, optional): the input dimension. + n (int, optional): factor by which c_in is multiplied to obtain hidden dimension. + """ + super(Transition, self).__init__() + self.n = n + self.c_in = c_in + self.layernorm1 = LayerNorm(c_in) + self.linear_no_bias_a = LinearNoBias(in_features=c_in, out_features=n * c_in) + self.linear_no_bias_b = LinearNoBias(in_features=c_in, out_features=n * c_in) + self.linear_no_bias = LinearNoBias(in_features=n * c_in, out_features=c_in) + self.zero_init() + + def zero_init(self): + nn.init.zeros_(self.linear_no_bias.weight) + + def forward(self, x: torch.Tensor) -> torch.Tensor: + """ + Args: + x (torch.Tensor): the input tensor + [..., c] + + Returns: + torch.Tensor: the output tensor as the same shape of x + [..., c] + """ + if self.training: + x = self.layernorm1(x) + a = self.linear_no_bias_a(x) + b = self.linear_no_bias_b(x) + x = self.linear_no_bias(F.silu(a) * b) + return x + else: + other_dims = x.shape[:-1] + dim_size = x.shape[-1] + size = x.shape[-2] + x = x.reshape(-1, dim_size) + chunk_num = 1 if size < 3200 else 8 + chunks = torch.chunk(x, chunk_num, dim=-2) + outputs = torch.empty( + (x.shape[0], self.c_in), dtype=x.dtype, device=x.device + ) + start = 0 + for chunk in chunks: + y = self.layernorm1(chunk) + a = self.linear_no_bias_a(y) + a = F.silu(a, True) + b = self.linear_no_bias_b(y) + del y + b *= a + del a + b = self.linear_no_bias(b) + outputs[start : start + b.shape[0]] = b + start += b.shape[0] + del b + outputs = outputs.reshape(*other_dims, self.c_in) + return outputs + + +def _attention( + q: torch.Tensor, + k: torch.Tensor, + v: torch.Tensor, + attn_bias: Optional[torch.Tensor] = None, + use_efficient_implementation: bool = False, + attn_weight_dropout_p: float = 0.0, + inplace_safe: bool = False, +) -> torch.Tensor: + """Attention. + + Args: + q (torch.Tensor): query tensor of shape [..., n_q, d] + k (torch.Tensor): key tensor of shape [..., n_kv, d] + v (torch.Tensor): value tensor of shape[..., n_kv, d] + attn_bias (torch.Tensor, optional): attention bias tensor of shape [..., n_q, n_kv]. Defaults to None. + use_efficient_implementation (bool): whether to use the torch.nn.functional.scaled_dot_product_attention, Defaults to False. + attn_weight_dropout_p (float): Dropout probability; if greater than 0.0, dropout is applied, Defaults to 0.0. + + Returns: + torch.Tensor: output of tensor [..., n_q, d] + """ + assert k.shape == v.shape + if use_efficient_implementation: + attn_output = F.scaled_dot_product_attention( + query=q, + key=k, + value=v, + attn_mask=attn_bias, + dropout_p=attn_weight_dropout_p, + ) + return attn_output + # [..., n_kv, d] -> [..., d, n_kv] + k = k.transpose(-1, -2) + + # [..., n_q, d], [..., d, n_kv] -> [..., n_q, n_kv] + attn_weights = q @ k + + if attn_bias is not None: + if inplace_safe: + attn_weights += attn_bias + else: + attn_weights = attn_weights + attn_bias + + # [..., n_q, n_kv] + attn_weights = F.softmax(attn_weights, dim=-1) + + # [..., n_q, n_kv], [..., n_kv, d] -> [..., n_q, d] + attn_output = attn_weights @ v + + return attn_output + + +def rearrange_qk_to_dense_trunk( + q: Union[torch.Tensor, list[torch.Tensor]], + k: Union[torch.Tensor, list[torch.Tensor]], + dim_q: Union[int, list[int]], + dim_k: Union[int, list[int]], + n_queries: int = 32, + n_keys: int = 128, + compute_mask: bool = True, +) -> tuple[Union[torch.Tensor, list[torch.Tensor]]]: + """Rearrange q/k into blocked tensors for local operations. + + Args: + q (torch.Tensor): query tensor. Could be a tensor or a list of tensors. + [..., n_q, ...] (n_q is at dimension dim_q) + k (torch.Tensor | List[torch.Tensor]): key tensor. Could be a tensor or a list of tensors. + [..., n_k, ...] (n_k is at dimension dim_k) + dim_q (int): along which dimension to build the trunks. Could be an int or a list of int. + dim_k (int): along which dimension to build the trunks. Could be an int or a list of int. + n_queries (int, optional): local window size of query tensor. + n_keys (int, optional): local window size of key/value tensor. + + Returns: + tuple[Union[torch.Tensor, list[torch.Tensor]]]: + q_trunked: torch.Tensor or list of tensors. Same as the input type. + [..., n_trunks, n_queries, ...] + k_trunked: torch.Tensor or list of tensors. Same as the input type. + [..., n_trunks, n_keys, ...] + padding_info (dict): + mask_trunked: torch.Tensor + [n_trunks, n_queries, n_keys] + q_pad: query padded dimension + """ + + assert n_keys >= n_queries + assert n_queries & 0x01 == 0 + assert n_keys & 0x01 == 0 + + def basic_checks(x, dim_x): + if isinstance(x, list): + x_is_list = True + assert isinstance(dim_x, list) + else: + x_is_list = False + x = [x] + dim_x = [dim_x] + n_x = x[0].size(dim_x[0]) + for i in range(len(dim_x)): + if dim_x[i] < 0: + dim_x[i] = len(x[i].shape) + dim_x[i] + assert x[i].size(dim_x[i]) == n_x + return x, dim_x, x_is_list, n_x, len(x) + + q, dim_q, q_is_list, n, num_q = basic_checks(q, dim_q) + k, dim_k, k_is_list, n_k, num_k = basic_checks(k, dim_k) + + assert n == n_k + n_trunks = int(math.ceil(n / n_queries)) + q_pad_length = n_trunks * n_queries - n + + q_new = [ + pad_at_dim(q[i], dim=dim_q[i], pad_length=(0, q_pad_length)) + for i in range(num_q) + ] + q_trunked = [ + reshape_at_dim(q_new[i], dim=dim_q[i], target_shape=(n_trunks, n_queries)) + for i in range(num_q) + ] + + pad_left = (n_keys - n_queries) // 2 + pad_right = int((n_trunks - 1 / 2) * n_queries + n_keys / 2 - n + 1 / 2) + + k_new = [ + pad_at_dim(k[i], dim=dim_k[i], pad_length=(pad_left, pad_right)) + for i in range(num_k) + ] + k_trunked = [ + k_new[i].unfold(dim_k[i], size=n_keys, step=n_queries) for i in range(num_k) + ] + k_trunked = [ + move_final_dim_to_dim(k_trunked[i], dim=dim_k[i] + 1) for i in range(num_k) + ] + + if compute_mask: + pad_mask = q[0].new_ones( + *(1,) * len(q[0].shape[:-2]), + n + q_pad_length, + n + pad_left + pad_right, + requires_grad=False, + ) + pad_mask[..., :n, 0:pad_left] = 0 + pad_mask[..., :n, pad_left + n : :] = 0 + pad_mask[..., n::, :] = 0 + + concat_split_data = optimized_concat_split(pad_mask, n_queries) + pad_mask_trunked = ( + concat_split_data.unfold( + -1, n_keys, pad_mask.size(-1) + n_queries + ).transpose(-2, -3) + ).bool() + else: + pad_mask_trunked = None + + if not q_is_list: + q_trunked = q_trunked[0] + if not k_is_list: + k_trunked = k_trunked[0] + + padding_info = { + "mask_trunked": pad_mask_trunked, + "q_pad": q_pad_length, + "k_pad_left": pad_left, + "k_pad_right": pad_right, + } + + return q_trunked, k_trunked, padding_info + + +def optimized_concat_split(attn_bias: torch.Tensor, n_queries: int) -> torch.Tensor: + """Optimized concatenation and splitting of attention bias tensor. + + Args: + attn_bias (torch.Tensor): The attention bias tensor. + Shape: [..., D, E] + n_queries (int): The number of queries in each split. + + Returns: + torch.Tensor: The reshaped and permuted attention bias tensor. + Shape: [..., n_queries, D // n_queries * E] + """ + D = attn_bias.size(-2) + E = attn_bias.size(-1) + assert D % n_queries == 0 + num_splits = D // n_queries + reshaped = attn_bias.reshape(*attn_bias.shape[:-2], num_splits, n_queries, E) + permuted = reshaped.permute(*range(reshaped.dim() - 3), -2, -3, -1) + output = permuted.reshape(*attn_bias.shape[:-2], n_queries, num_splits * E) + return output + + +def rearrange_to_dense_trunk( + q: torch.Tensor, + k: torch.Tensor, + v: torch.Tensor, + n_queries: int, + n_keys: int, + attn_bias: Optional[torch.Tensor] = None, + inf: float = 1e10, +) -> tuple[Union[torch.Tensor, int]]: + """Rearrange q/k/v/bias into blocked tensors for local attention. + + Args: + q (torch.Tensor): query tensor + [..., n_q, d] + k (torch.Tensor): key tensor + [..., n_kv, d] + v (torch.Tensor): value tensor + [..., n_kv, d] + attn_bias (torch.Tensor, optional): attention bias + [..., n_q, n_kv] or None + n_queries (int, optional): local window size of query tensor. + n_keys (int, optional): local window size of key/value tensor. + inf (float, optional): used for attention masking. Defaults to 1e10. + + Returns: + tuple[Union[torch.Tensor, int]]: + q_trunked + [..., n_trunks, n_queries, d] + k_trunked / v_trunked + [..., n_trunks, n_keys, d] + attn_bias_trunked: padded position filled with -inf + [..., n_trunks, n_queries, n_keys] + q_pad_length: query padded dimension + """ + assert n_keys >= n_queries + assert n_queries & 0x01 == 0 + assert n_keys & 0x01 == 0 + + n, d = q.shape[-2:] + + q_trunked, kv_trunked, padding_info = rearrange_qk_to_dense_trunk( + q=q, + k=[k, v], + dim_q=-2, + dim_k=[-2, -2], + n_queries=n_queries, + n_keys=n_keys, + compute_mask=False, + ) + q_pad_length, pad_left, pad_right = ( + padding_info["q_pad"], + padding_info["k_pad_left"], + padding_info["k_pad_right"], + ) + + # Padded_width = n + pad_left + pad_right + if attn_bias is None: + attn_bias = q.new_zeros( + *(1,) * len(q.shape[:-2]), n + q_pad_length, n + pad_left + pad_right + ) + attn_bias[..., :n, 0:pad_left] = -inf + attn_bias[..., :n, pad_left + n : :] = -inf + attn_bias[..., n::, :] = -inf + else: + attn_bias = F.pad(attn_bias, (pad_left, pad_right, 0, q_pad_length), value=-inf) + + concat_split_data = optimized_concat_split(attn_bias, n_queries) + attn_bias_trunked = concat_split_data.unfold( + -1, n_keys, attn_bias.shape[-1] + n_queries + ).transpose(-2, -3) + return q_trunked, kv_trunked[0], kv_trunked[1], attn_bias_trunked, q_pad_length + + +def _local_attention( + q: torch.Tensor, + k: torch.Tensor, + v: torch.Tensor, + n_queries: int, + n_keys: int, + attn_bias: Optional[torch.Tensor] = None, + trunked_attn_bias: Optional[torch.Tensor] = None, + inf: float = 1e10, + use_efficient_implementation: bool = False, + attn_weight_dropout_p: float = 0.0, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, +) -> torch.Tensor: + """Local attention + + Args: + q (torch.Tensor): query tensor + [..., Q, d] + k (torch.Tensor): key tensor + [..., K, d] + v (torch.Tensor): value tensor + [..., K, d] + n_queries (int): local window size of query. + n_keys (int): local window size of key/value. + attn_bias (torch.Tensor, optional): the input biases for attention. Defaults to None. + [..., Q, K] + trunked_attn_bias (torch.Tensor, optional): the input biases where shape has been rearranged to dense trunks. Defaults to None. + [..., n_trunks, n_queries, n_keys] + inf (float): inf number used for attention bias. Defaults to 1e10. + use_efficient_implementation (bool): whether to use the torch.nn.functional.scaled_dot_product_attention, Defaults to False. + attn_weight_dropout_p (float): Dropout probability; if greater than 0.0, dropout is applied, Defaults to 0.0. + Returns: + torch.Tensor: standard attention output + [..., Q, d] + """ + assert q.shape == k.shape == v.shape # local attention doesn't make sense if Q != K + + # Prepare for attention qkv, q: [..., n_trunks, n_queries, d], kv: [..., n_trunks, n_keys, d] + + # Rerrange to dense trunks + # q: [*, n, d] -> [*, n_trunks, n_queries, d] + # kv: [*, n, d] -> [*, n_trunks, n_keys, d] + # attn_bias: [*, n, d] -> [*, n_trunks, n_queries, n_keys] + q_trunked, k_trunked, v_trunked, attn_bias_trunked, q_pad_length = ( + rearrange_to_dense_trunk( + q=q, + k=k, + v=v, + n_queries=n_queries, + n_keys=n_keys, + attn_bias=attn_bias, + inf=inf, + ) + ) + + # Apply attention + # [..., n_trunks, n_queries, d] + if trunked_attn_bias is not None: + attn_bias_trunked = attn_bias_trunked + trunked_attn_bias + + if chunk_size is not None: + attn_inputs = { + "q": q_trunked, + "k": k_trunked, + "v": v_trunked, + "attn_bias": attn_bias_trunked, + } + out = chunk_layer( + partial( + _attention, + use_efficient_implementation=use_efficient_implementation, + attn_weight_dropout_p=attn_weight_dropout_p, + inplace_safe=inplace_safe, + ), + attn_inputs, + chunk_size=chunk_size, + no_batch_dims=len(attn_bias_trunked.shape[:-2]), + _out=None, + ) + else: + out = _attention( + q=q_trunked, + k=k_trunked, + v=v_trunked, + attn_bias=attn_bias_trunked, + use_efficient_implementation=use_efficient_implementation, + attn_weight_dropout_p=attn_weight_dropout_p, + inplace_safe=inplace_safe, + ) + + # Revert back to orignal shape and remove q_pad_length + # [..., n_trunks, n_queries, d] -> [..., n_trunks * n_queries, d] -> [..., n, d] + out = out.reshape(*out.shape[:-3], -1, out.shape[-1]) + if q_pad_length > 0: + out = out[..., :-q_pad_length, :] + return out + + +def create_local_attn_bias( + n: int, n_queries: int, n_keys: int, inf: float = 1e10, device: torch.device = None +) -> torch.Tensor: + """Create local attention bias based on query window n_queries and kv window n_keys. + + Args: + n (int): the length of quiries + n_queries (int): window size of quiries + n_keys (int): window size of keys/values + inf (float, optional): the inf to mask attention. Defaults to 1e10. + device (torch.device, optional): cuda|cpu|None. Defaults to None. + + Returns: + torch.Tensor: the diagonal-like global attention bias + """ + n_trunks = int(math.ceil(n / n_queries)) + padded_n = n_trunks * n_queries + attn_mask = torch.zeros(padded_n, padded_n, device=device) + for block_index in range(0, n_trunks): + i = block_index * n_queries + j1 = max(0, n_queries * block_index - (n_keys - n_queries) // 2) + j2 = n_queries * block_index + (n_queries + n_keys) // 2 + attn_mask[i : i + n_queries, j1:j2] = 1.0 + attn_bias = (1 - attn_mask) * -inf + return attn_bias.to(device=device)[:n, :n] + + +class Attention(nn.Module): + """Standard multi-head attention + Ref to openfold: + https://github.com/aqlaboratory/openfold/blob/feb45a521e11af1db241a33d58fb175e207f8ce0/openfold/model/primitives.py#L340 + """ + + def __init__( + self, + c_q: int, + c_k: int, + c_v: int, + c_hidden: int, + num_heads: int, + gating: bool = True, + q_linear_bias: bool = False, + local_attention_method: str = "global_attention_with_bias", + use_efficient_implementation: bool = False, + attn_weight_dropout_p: float = 0.0, + ) -> None: + """ + + Args: + c_q (int): Input dimension of query data + c_k (int): Input dimension of key data + c_v (int): Input dimension of value data + c_hidden (int): Per-head hidden dimension + num_heads (int): Number of attention heads + gating (bool, optional): Whether the output should be gated using query data. Defaults to True. + q_linear_bias (bool, optional): whether use Linear with bias as in AF3. Defaults to False. + local_attention_method (str, optional): local attention method, options: + - global_attention_with_bias: use full size global attention with sparse attention bias + - local_cross_attention: use local cross attention to minimize computation + use_efficient_implementation (bool): whether to use the torch.nn.functional.scaled_dot_product_attention, Defaults to False. + attn_weight_dropout_p (float): Dropout probability; if greater than 0.0, dropout is applied, Defaults to 0.0. + + Notes: + if use_efficient_implementation == True, torch.nn.functional.scaled_dot_product_attention will + be used to compute attention efficiently + There are currently three supported implementations of scaled dot product attention: + 1. FlashAttention: Fast and Memory-Efficient Exact Attention with IO-Awareness + + 2. Memory-Efficient Attention + + 3. A PyTorch implementation defined in C++ matching the above formulation + + The function may call optimized kernels for improved performance when using the CUDA backend. + For all other backends, the PyTorch implementation will be used.All implementations are enabled by default. + Scaled dot product attention attempts to automatically select the most optimal implementation based on the inputs. + """ + super(Attention, self).__init__() + self.c_q = c_q + self.c_k = c_k + self.c_v = c_v + self.c_hidden = c_hidden + self.num_heads = num_heads + self.gating = gating + self.local_attention_method = local_attention_method + self.use_efficient_implementation = use_efficient_implementation + self.attn_weight_dropout_p = attn_weight_dropout_p + + # DISCREPANCY: c_hidden is not the per-head channel dimension, as + # stated in the supplement, but the overall channel dimension. + if q_linear_bias: + # Attention in AF3 + self.linear_q = Linear( + in_features=self.c_q, out_features=self.c_hidden * self.num_heads + ) + else: + # Vanilla attention + self.linear_q = LinearNoBias(self.c_q, self.c_hidden * self.num_heads) + self.linear_k = LinearNoBias(self.c_k, self.c_hidden * self.num_heads) + self.linear_v = LinearNoBias(self.c_v, self.c_hidden * self.num_heads) + self.linear_o = LinearNoBias(self.c_hidden * self.num_heads, self.c_q) + self.linear_g = None + if self.gating: + self.linear_g = LinearNoBias(self.c_q, self.c_hidden * self.num_heads) + self.sigmoid = nn.Sigmoid() + + # Zero init the output layer + nn.init.zeros_(self.linear_o.weight) + + def _prep_qkv( + self, q_x: torch.Tensor, kv_x: torch.Tensor, apply_scale: bool = True + ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor]: + """Prepare qkv + + Args: + q_x (torch.Tensor): the input x for q + [..., c_q] + kv_x (torch.Tensor): the input x for kv + [..., c_k] + [..., c_v] + apply_scale (bool, optional): apply scale to dot product qk. Defaults to True. + + Returns: + tuple[torch.Tensor, torch.Tensor, torch.Tensor]: the return q/k/v + # [..., H, Q/K/V, C_hidden] + """ + # [*, Q/K/V, H * C_hidden] + q = self.linear_q(q_x) + k = self.linear_k(kv_x) + v = self.linear_v(kv_x) + + # [*, Q/K/V, H, C_hidden] + q = q.view(q.shape[:-1] + (self.num_heads, -1)) + k = k.view(k.shape[:-1] + (self.num_heads, -1)) + v = v.view(v.shape[:-1] + (self.num_heads, -1)) + + # [*, H, Q/K/V, C_hidden] + q = q.transpose(-2, -3) + k = k.transpose(-2, -3) + v = v.transpose(-2, -3) + + if apply_scale: + q = q / math.sqrt(self.c_hidden) + + return q, k, v + + def _wrap_up(self, o: torch.Tensor, q_x: torch.Tensor) -> torch.Tensor: + """ + + Args: + o (torch.Tensor): the output of attention + [..., G/Q, H, C_hidden] + q_x (torch.Tensor): the input for gated g + [..., Q, c_q] + + Returns: + torch.Tensor: the output of attention + """ + if self.linear_g is not None: + g = self.sigmoid(self.linear_g(q_x)) + + # [*, G/Q, H, C_hidden] + g = g.view(g.shape[:-1] + (self.num_heads, -1)) + o = o * g + + # [*, Q, H * C_hidden] + o = flatten_final_dims(o, num_dims=2) + + # [*, Q, C_q] + o = self.linear_o(o) + + return o + + def forward( + self, + q_x: torch.Tensor, + kv_x: torch.Tensor, + attn_bias: Optional[torch.Tensor] = None, + trunked_attn_bias: Optional[torch.Tensor] = None, + n_queries: Optional[int] = None, + n_keys: Optional[int] = None, + inf: Optional[float] = 1e10, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + + Args: + q_x (torch.Tensor): the input x for q + [..., Q, C_q] + kv_x (torch.Tensor): the input x for k/v + [..., K, C_k] + attn_bias (torch.Tensor, optional): the input biases for attention. Defaults to None. + [..., H, Q, K] or [..., Q, K] + trunked_attn_bias (torch.Tensor, optional): the input biases where shape has been rearranged to dense trunks. Defaults to None. + [..., H, n_trunks, n_queries, n_keys] or [..., n_trunks, n_queries, n_keys] + n_queries (int, optional): local window size of query tensor. If not None, will perform local attention. Defaults to None. + n_keys (int, optional): local window size of key tensor. Defaults to None. + + Returns: + torch.Tensor: attention update + [*, Q, C_q] + """ + + q, k, v = self._prep_qkv(q_x=q_x, kv_x=kv_x, apply_scale=True) + + if attn_bias is not None: + if len(attn_bias.shape) == len(q.shape): + assert attn_bias.shape[:-2] == q.shape[:-2] + else: + assert len(attn_bias.shape) == len(q.shape) - 1 + assert attn_bias.shape[:-2] == q.shape[:-3] + # Expand at head dim, got shape [..., 1, Q, K] + attn_bias = attn_bias.unsqueeze(dim=-3) + + if trunked_attn_bias is not None: + # NOTE: trunked_attn_bias can only be used with "local_cross_attention" method + assert n_queries and n_keys + assert self.local_attention_method == "local_cross_attention" + + if len(trunked_attn_bias.shape) == len(q.shape) + 1: + assert trunked_attn_bias.shape[:-3] == q.shape[:-2] + else: + assert len(trunked_attn_bias.shape) == len(q.shape) + # Expand at head dim, got shape [..., 1, n_trunks, n_queries, n_keys] + trunked_attn_bias = trunked_attn_bias.unsqueeze(dim=-4) + + if n_queries and n_keys: + if self.local_attention_method == "global_attention_with_bias": + local_attn_bias = create_local_attn_bias( + q.shape[-2], n_queries, n_keys, inf=inf, device=q.device + ) + # Expand to same shape as attn_bias + local_attn_bias = local_attn_bias.reshape( + (1,) * (len(q.shape[:-2])) + local_attn_bias.shape + ) + if attn_bias is not None: + if inplace_safe: + local_attn_bias += attn_bias + else: + local_attn_bias = local_attn_bias + attn_bias + o = _attention( + q=q, + k=k, + v=v, + attn_bias=local_attn_bias, + use_efficient_implementation=self.use_efficient_implementation, + attn_weight_dropout_p=self.attn_weight_dropout_p, + inplace_safe=inplace_safe, + ) + + elif self.local_attention_method == "local_cross_attention": + o = _local_attention( + q=q, + k=k, + v=v, + n_queries=n_queries, + n_keys=n_keys, + attn_bias=attn_bias, + trunked_attn_bias=trunked_attn_bias, + inf=inf, + use_efficient_implementation=self.use_efficient_implementation, + attn_weight_dropout_p=self.attn_weight_dropout_p, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + else: + raise ValueError( + f"Invalid local attention method: {self.local_attention_method}" + ) + else: + o = _attention( + q=q, + k=k, + v=v, + attn_bias=attn_bias, + use_efficient_implementation=self.use_efficient_implementation, + attn_weight_dropout_p=self.attn_weight_dropout_p, + inplace_safe=inplace_safe, + ) # [*, H, Q, C_hidden] + o = o.transpose(-2, -3) # o: [*, Q, H, C_hidden] + o = self._wrap_up(o, q_x) # q_x: [*, Q, c_q] + + return o + + +def gather_pair_embedding_in_dense_trunk( + x: torch.Tensor, idx_q: torch.Tensor, idx_k: torch.Tensor +): + """ + Selectively gather elements from a tensor using two sets of indices. + + x: [..., N_token, N_token, d] + idx_q: [N_b, N_q] + idx_k: [N_b, N_k] + + Return: + y: [..., N_b, N_q, N_k, d] + where y[..., b, i, j, :] = x[..., idx_q[b, i], idx_k[b, j], :] + """ + idx_q = idx_q.long() + idx_k = idx_k.long() + assert len(idx_q.shape) == len(idx_k.shape) == 2 + + # Get the shape parameters + N_b, N_q = idx_q.shape + N_k = idx_k.shape[1] + + # Expand idx_q and idx_k to match the shape required for advanced indexing + idx_q_expanded = idx_q.unsqueeze(-1).expand(-1, -1, N_k) + idx_k_expanded = idx_k.unsqueeze(1).expand(-1, N_q, -1) + + # Use advanced indexing to gather the desired elements + y = x[..., idx_q_expanded, idx_k_expanded, :] + + return y + + +def broadcast_token_to_local_atom_pair( + z_token: torch.Tensor, + atom_to_token_idx: torch.Tensor, + n_queries: int, + n_keys: int, + compute_mask: bool = True, +) -> torch.Tensor: + """Broadcast token pair embedding to atom pair embedding + + Args: + z_token (torch.Tensor): token pair embedding + [..., N_token, N_token, d] + atom_to_token_idx (torch.Tensor): map atom idx to token idx + [N_atom] + + Returns: + z_gathered_blocked (torch.Tensor): atom pair embedding, with local blocked shape + [..., n_trunks, n_queries, n_keys, d] + pad_mask (torch.Tensor): + [n_trunks, n_queries, n_keys] + q_pad_length (int) + """ + + # [N_atom] -> [n_trunks, n_queries] and [n_trunks, n_keys] + atom_to_token_idx_q, atom_to_token_idx_k, pad_info = rearrange_qk_to_dense_trunk( + atom_to_token_idx, + atom_to_token_idx, + dim_q=-1, + dim_k=-1, + n_queries=n_queries, + n_keys=n_keys, + compute_mask=compute_mask, + ) + + z_gathered_blocked = gather_pair_embedding_in_dense_trunk( + z_token, idx_q=atom_to_token_idx_q, idx_k=atom_to_token_idx_k + ) + + return z_gathered_blocked, pad_info diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/transformer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/transformer.py new file mode 100644 index 0000000000000000000000000000000000000000..a6f55fb73675439d2175b9091e4868dbf38c29a0 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/modules/transformer.py @@ -0,0 +1,946 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from functools import partial +from typing import Optional, Union + +import torch +import torch.nn as nn +import torch.nn.functional as F + +from protenix.model.modules.primitives import ( + AdaptiveLayerNorm, + Attention, + BiasInitLinear, + LinearNoBias, + broadcast_token_to_local_atom_pair, + rearrange_qk_to_dense_trunk, +) +from protenix.model.utils import ( + aggregate_atom_to_token, + broadcast_token_to_atom, + permute_final_dims, +) +from protenix.openfold_local.model.primitives import LayerNorm +from protenix.openfold_local.utils.checkpointing import checkpoint_blocks + + +class AttentionPairBias(nn.Module): + """ + Implements Algorithm 24 in AF3 + """ + + def __init__( + self, + has_s: bool = True, + n_heads: int = 16, + c_a: int = 768, + c_s: int = 384, + c_z: int = 128, + biasinit: float = -2.0, + ) -> None: + """ + Args: + has_s (bool, optional): whether s is None as stated in Algorithm 24 Line1. Defaults to True. + n_heads (int, optional): number of attention-like head in AttentionPairBias. Defaults to 16. + c_a (int, optional): the embedding dim of a(single feature aggregated atom info). Defaults to 768. + c_s (int, optional): hidden dim [for single embedding]. Defaults to 384. + c_z (int, optional): hidden dim [for pair embedding]. Defaults to 128. + biasinit (float, optional): biasinit for BiasInitLinear. Defaults to -2.0. + """ + super(AttentionPairBias, self).__init__() + assert c_a % n_heads == 0 + self.n_heads = n_heads + self.has_s = has_s + if has_s: + # Line2 + self.layernorm_a = AdaptiveLayerNorm(c_a=c_a, c_s=c_s) + # Line 13 + self.linear_a_last = BiasInitLinear( + in_features=c_s, out_features=c_a, bias=True, biasinit=biasinit + ) + else: + self.layernorm_a = LayerNorm(c_a) + # Line 6-11 + self.local_attention_method = "local_cross_attention" + self.attention = Attention( + c_q=c_a, + c_k=c_a, + c_v=c_a, + c_hidden=c_a // n_heads, + num_heads=n_heads, + gating=True, + q_linear_bias=True, + local_attention_method=self.local_attention_method, + ) + self.layernorm_z = LayerNorm(c_z) + # Alg24. Line8 is scalar, but this is different for different heads + self.linear_nobias_z = LinearNoBias(in_features=c_z, out_features=n_heads) + + def glorot_init(self): + nn.init.xavier_uniform_(self.attention.linear_q.weight) + nn.init.xavier_uniform_(self.attention.linear_k.weight) + nn.init.xavier_uniform_(self.attention.linear_v.weight) + nn.init.zeros_(self.attention.linear_q.bias) + + def local_multihead_attention( + self, + a: torch.Tensor, + s: torch.Tensor, + z: torch.Tensor, + n_queries: int = 32, + n_keys: int = 128, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """Used by Algorithm 24, with beta_ij being the local mask. Used in AtomTransformer. + + Args: + a (torch.Tensor): atom embedding + [..., N_atom, c_a] + s (torch.Tensor): atom embedding + [..., N_atom, c_s] + z (torch.Tensor): atom-atom pair embedding, in trunked dense shape. Used for computing pair bias. + [..., n_blocks, n_queries, n_keys, c_z] + n_queries (int, optional): local window size of query tensor. Defaults to 32. + n_keys (int, optional): local window size of key tensor. Defaults to 128. + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + torch.Tensor: the updated a from AttentionPairBias + [..., N_atom, c_a] + """ + + assert n_queries == z.size(-3) + assert n_keys == z.size(-2) + assert len(z.shape) == len(a.shape) + 2 + + # Multi-head attention bias + bias = self.linear_nobias_z( + self.layernorm_z(z) + ) # [..., n_blocks, n_queries, n_keys, n_heads] + bias = permute_final_dims( + bias, [3, 0, 1, 2] + ) # [..., n_heads, n_blocks, n_queries, n_keys] + + # Line 11: Multi-head attention with attention bias & gating (and optionally local attention) + a = self.attention( + q_x=a, + kv_x=a, + trunked_attn_bias=bias, + n_queries=n_queries, + n_keys=n_keys, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + return a + + def standard_multihead_attention( + self, + a: torch.Tensor, + s: torch.Tensor, + z: torch.Tensor, + inplace_safe: bool = False, + ) -> torch.Tensor: + """Used by Algorithm 7/20 + + Args: + a (torch.Tensor): the single feature aggregate per-atom representation + [..., N_token, c_a] + s (torch.Tensor): single embedding + [..., N_token, c_s] + z (torch.Tensor): pair embedding, used for computing pair bias. + [..., N_token, N_token, c_z] + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + + Returns: + torch.Tensor: the updated a from AttentionPairBias + [..., N_token, c_a] + """ + + # Multi-head attention bias + bias = self.linear_nobias_z(self.layernorm_z(z)) + bias = permute_final_dims(bias, [2, 0, 1]) # [..., n_heads, N_token, N_token] + + # Line 11: Multi-head attention with attention bias & gating (and optionally local attention) + a = self.attention(q_x=a, kv_x=a, attn_bias=bias, inplace_safe=inplace_safe) + + return a + + def forward( + self, + a: torch.Tensor, + s: torch.Tensor, + z: torch.Tensor, + n_queries: Optional[int] = None, + n_keys: Optional[int] = None, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """Details are given in local_forward and standard_forward""" + # Input projections + if self.has_s: + a = self.layernorm_a(a=a, s=s) + else: + a = self.layernorm_a(a) + + # Multihead attention with pair bias + if n_queries and n_keys: + a = self.local_multihead_attention( + a, + s, + z, + n_queries, + n_keys, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + else: + a = self.standard_multihead_attention(a, s, z, inplace_safe=inplace_safe) + + # Output projection (from adaLN-Zero [27]) + if self.has_s: + if inplace_safe: + a *= torch.sigmoid(self.linear_a_last(s)) + else: + a = torch.sigmoid(self.linear_a_last(s)) * a + + return a + + +class DiffusionTransformerBlock(nn.Module): + """ + Implements Algorithm 23[Line2-Line3] in AF3 + """ + + def __init__( + self, + c_a: int, # could be 128 or 768 in AF3 + c_s: int, # could be c_s or c_atom + c_z: int, # could be c_z or c_atompair + n_heads: int, # could be 16 or 4 or ... in AF3 + biasinit: float = -2.0, + ) -> None: + """ + Args: + c_a (int, optional): single embedding dimension. + c_s (int, optional): single embedding dimension. + c_z (int, optional): pair embedding dimension. + n_heads (int, optional): number of heads for DiffusionTransformerBlock. + """ + super(DiffusionTransformerBlock, self).__init__() + self.n_heads = n_heads + self.c_a = c_a + self.c_s = c_s + self.c_z = c_z + self.attention_pair_bias = AttentionPairBias( + has_s=True, n_heads=n_heads, c_a=c_a, c_s=c_s, c_z=c_z, biasinit=biasinit + ) + self.conditioned_transition_block = ConditionedTransitionBlock( + n=2, c_a=c_a, c_s=c_s, biasinit=biasinit + ) + + def forward( + self, + a: torch.Tensor, + s: torch.Tensor, + z: torch.Tensor, + n_queries: Optional[int] = None, + n_keys: Optional[int] = None, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + Args: + a (torch.Tensor): the single feature aggregate per-atom representation + [..., N, c_a] + s (torch.Tensor): single embedding + [..., N, c_s] + z (torch.Tensor): pair embedding + [..., N, N, c_z] or [..., n_block, n_queries, n_keys, c_z] + n_queries (int, optional): local window size of query tensor. If not None, will perform local attention. Defaults to None. + n_keys (int, optional): local window size of key tensor. Defaults to None. + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + torch.Tensor: the output of DiffusionTransformerBlock + [..., N, c_a] + """ + attn_out = self.attention_pair_bias( + a=a, + s=s, + z=z, + n_queries=n_queries, + n_keys=n_keys, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + if inplace_safe: + attn_out += a + else: + attn_out = attn_out + a + ff_out = self.conditioned_transition_block(a=attn_out, s=s) + out_a = ff_out + attn_out + # Avoid s/z to be deleted by torch.utils.checkpoint + return out_a, s, z + + +class DiffusionTransformer(nn.Module): + """ + Implements Algorithm 23 in AF3 + """ + + def __init__( + self, + c_a: int, # could be 128 or 768 in AF3 + c_s: int, # could be c_s or c_atom + c_z: int, # could be c_z or c_atompair + n_blocks: int, # could be 3 or 24 in AF3 + n_heads: int, # could be 16 or 4 or ... in AF3 + blocks_per_ckpt: Optional[int] = None, + ) -> None: + """ + Args: + c_a (int): single embedding dimension. + c_s (int): single embedding dimension. + c_z (int): pair embedding dimension. + n_blocks (int): number of blocks in DiffusionTransformer. + n_heads (int): number of heads in attention. + blocks_per_ckpt: number of DiffusionTransformer blocks in each activation checkpoint + """ + super(DiffusionTransformer, self).__init__() + self.n_blocks = n_blocks + self.n_heads = n_heads + self.c_a = c_a + self.c_s = c_s + self.c_z = c_z + self.blocks_per_ckpt = blocks_per_ckpt + + self.blocks = nn.ModuleList() + for _ in range(n_blocks): + block = DiffusionTransformerBlock( + n_heads=n_heads, c_a=c_a, c_s=c_s, c_z=c_z + ) + self.blocks.append(block) + + def _prep_blocks( + self, + n_queries: Optional[int] = None, + n_keys: Optional[int] = None, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + clear_cache_between_blocks: bool = False, + ): + blocks = [ + partial( + b, + n_queries=n_queries, + n_keys=n_keys, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + for b in self.blocks + ] + + def clear_cache(b, *args, **kwargs): + # torch.cuda.empty_cache() + return b(*args, **kwargs) + + if clear_cache_between_blocks: + blocks = [partial(clear_cache, b) for b in blocks] + return blocks + + def forward( + self, + a: torch.Tensor, + s: torch.Tensor, + z: torch.Tensor, + n_queries: Optional[int] = None, + n_keys: Optional[int] = None, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + Args: + a (torch.Tensor): the single feature aggregate per-atom representation + [..., N, c_a] + s (torch.Tensor): single embedding + [..., N, c_s] + z (torch.Tensor): pair embedding + [..., N, N, c_z] + n_queries (int, optional): local window size of query tensor. If not None, will perform local attention. Defaults to None. + n_keys (int, optional): local window size of key tensor. Defaults to None. + + Returns: + torch.Tensor: the output of DiffusionTransformer + [..., N, c_a] + """ + if z.shape[-2] > 2000 and (not self.training): + clear_cache_between_blocks = True + else: + clear_cache_between_blocks = False + blocks = self._prep_blocks( + n_queries=n_queries, + n_keys=n_keys, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + clear_cache_between_blocks=clear_cache_between_blocks, + ) + blocks_per_ckpt = self.blocks_per_ckpt + if not torch.is_grad_enabled(): + blocks_per_ckpt = None + a, s, z = checkpoint_blocks( + blocks, args=(a, s, z), blocks_per_ckpt=blocks_per_ckpt + ) + del s, z + return a + + +class AtomTransformer(nn.Module): + """ + Implements Algorithm 7 in AF3 + """ + + def __init__( + self, + c_atom: int = 128, + c_atompair: int = 16, + n_blocks: int = 3, + n_heads: int = 4, + n_queries: int = 32, + n_keys: int = 128, + blocks_per_ckpt: Optional[int] = None, + ) -> None: + """Performs local transformer among atom embeddings, with bias predicted from atom pair embeddings + + Args: + c_atom int: embedding dim for atom feature. Defaults to 128. + c_atompair int: embedding dim for atompair feature. Defaults to 16. + n_blocks (int, optional): number of block in AtomTransformer. Defaults to 3. + n_heads (int, optional): nubmer of heads in attention. Defaults to 4. + n_queries (int, optional): local window size of query tensor. If not None, will perform local attention. Defaults to 32. + n_keys (int, optional): local window size of key tensor. Defaults to 128. + blocks_per_ckpt: number of AtomTransformer/DiffusionTransformer blocks in each activation checkpoint + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + """ + super(AtomTransformer, self).__init__() + self.n_blocks = n_blocks + self.n_heads = n_heads + self.n_queries = n_queries + self.n_keys = n_keys + self.c_atom = c_atom + self.c_atompair = c_atompair + self.diffusion_transformer = DiffusionTransformer( + n_blocks=n_blocks, + n_heads=n_heads, + c_a=c_atom, + c_s=c_atom, + c_z=c_atompair, + blocks_per_ckpt=blocks_per_ckpt, + ) + + def forward( + self, + q: torch.Tensor, + c: torch.Tensor, + p: torch.Tensor, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + Args: + q (torch.Tensor): atom single embedding + [..., N_atom, c_atom] + c (torch.Tensor): atom single embedding + [..., N_atom, c_atom] + p (torch.Tensor): atompair embedding in dense block shape. + [..., n_blocks, n_queries, n_keys, c_atompair] + + Returns: + torch.Tensor: the output of AtomTransformer + [..., N_atom, c_atom] + """ + n_blocks, n_queries, n_keys = p.shape[-4:-1] + + assert n_queries == self.n_queries + assert n_keys == self.n_keys + return self.diffusion_transformer( + a=q, + s=c, + z=p, + n_queries=self.n_queries, + n_keys=self.n_keys, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + +class ConditionedTransitionBlock(nn.Module): + """ + Implements Algorithm 25 in AF3 + """ + + def __init__(self, c_a: int, c_s: int, n: int = 2, biasinit: float = -2.0) -> None: + """ + Args: + c_a (int, optional): single embedding dim (single feature aggregated atom info). + c_s (int, optional): single embedding dim. + n (int, optional): channel scale factor. Defaults to 2. + """ + super(ConditionedTransitionBlock, self).__init__() + self.c_a = c_a + self.c_s = c_s + self.n = n + self.adaln = AdaptiveLayerNorm(c_a=c_a, c_s=c_s) + self.linear_nobias_a1 = LinearNoBias(in_features=c_a, out_features=n * c_a) + self.linear_nobias_a2 = LinearNoBias(in_features=c_a, out_features=n * c_a) + self.linear_nobias_b = LinearNoBias(in_features=n * c_a, out_features=c_a) + self.linear_s = BiasInitLinear( + in_features=c_s, out_features=c_a, bias=True, biasinit=biasinit + ) + + def forward(self, a: torch.Tensor, s: torch.Tensor) -> torch.Tensor: + """ + Args: + a (torch.Tensor): the single feature aggregate per-atom representation + [..., N, c_a] + s (torch.Tensor): single embedding + [..., N, c_s] + + Returns: + torch.Tensor: the updated a from ConditionedTransitionBlock + [..., N, c_a] + """ + a = self.adaln(a, s) + b = F.silu((self.linear_nobias_a1(a))) * self.linear_nobias_a2(a) + # Output projection (from adaLN-Zero [27]) + a = torch.sigmoid(self.linear_s(s)) * self.linear_nobias_b(b) + return a + + +class AtomAttentionEncoder(nn.Module): + """ + Implements Algorithm 5 in AF3 + """ + + def __init__( + self, + has_coords: bool, + c_token: int, # 384 or 768 + c_atom: int = 128, + c_atompair: int = 16, + c_s: int = 384, + c_z: int = 128, + n_blocks: int = 3, + n_heads: int = 4, + n_queries: int = 32, + n_keys: int = 128, + blocks_per_ckpt: Optional[int] = None, + ) -> None: + """ + Args: + has_coords (bool): whether the module input will contains coordinates (r_l). + c_token (int): token embedding dim. + c_atom (int, optional): atom embedding dim. Defaults to 128. + c_atompair (int, optional): atompair embedding dim. Defaults to 16. + c_s (int, optional): single embedding dim. Defaults to 384. + c_z (int, optional): pair embedding dim. Defaults to 128. + n_blocks (int, optional): number of blocks in AtomTransformer. Defaults to 3. + n_heads (int, optionall): number of heads in AtomTransformer. Defaults to 4. + blocks_per_ckpt: number of AtomAttentionEncoder/AtomTransformer blocks in each activation checkpoint + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + """ + super(AtomAttentionEncoder, self).__init__() + self.has_coords = has_coords + self.c_atom = c_atom + self.c_atompair = c_atompair + self.c_token = c_token + self.c_s = c_s + self.c_z = c_z + self.n_queries = n_queries + self.n_keys = n_keys + self.local_attention_method = "local_cross_attention" + + self.input_feature = { + "ref_pos": 3, + "ref_charge": 1, + "ref_mask": 1, + "ref_element": 128, + "ref_atom_name_chars": 4 * 64, + } + self.linear_no_bias_f = LinearNoBias( + in_features=sum(self.input_feature.values()), out_features=self.c_atom + ) + self.linear_no_bias_d = LinearNoBias( + in_features=3, out_features=self.c_atompair + ) + self.linear_no_bias_invd = LinearNoBias( + in_features=1, out_features=self.c_atompair + ) + self.linear_no_bias_v = LinearNoBias( + in_features=1, out_features=self.c_atompair + ) + + if self.has_coords: + # Line9 + self.layernorm_s = LayerNorm(self.c_s) + self.linear_no_bias_s = LinearNoBias( + in_features=self.c_s, out_features=self.c_atom + ) + # Line10 + self.layernorm_z = LayerNorm(self.c_z) # memory bottleneck + self.linear_no_bias_z = LinearNoBias( + in_features=self.c_z, out_features=self.c_atompair + ) + # Line11 + self.linear_no_bias_r = LinearNoBias( + in_features=3, out_features=self.c_atom + ) + self.linear_no_bias_cl = LinearNoBias( + in_features=self.c_atom, out_features=self.c_atompair + ) + self.linear_no_bias_cm = LinearNoBias( + in_features=self.c_atom, out_features=self.c_atompair + ) + self.small_mlp = nn.Sequential( + nn.ReLU(), + LinearNoBias(in_features=self.c_atompair, out_features=self.c_atompair), + nn.ReLU(), + LinearNoBias(in_features=self.c_atompair, out_features=self.c_atompair), + nn.ReLU(), + LinearNoBias(in_features=self.c_atompair, out_features=self.c_atompair), + ) + self.atom_transformer = AtomTransformer( + n_blocks=n_blocks, + n_heads=n_heads, + c_atom=c_atom, + c_atompair=c_atompair, + n_queries=n_queries, + n_keys=n_keys, + blocks_per_ckpt=blocks_per_ckpt, + ) + self.linear_no_bias_q = LinearNoBias( + in_features=self.c_atom, out_features=self.c_token + ) + + def linear_init( + self, + zero_init_atom_encoder_residual_linear: bool = False, + he_normal_init_atom_encoder_small_mlp: bool = False, + he_normal_init_atom_encoder_output: bool = False, + ): + """ + Initializes the parameters of the diffusion module according to the provided initialization configuration. + + Args: + zero_init_atom_encoder_residual_linear (bool): Whether to zero-initialize the residual linear layers. + he_normal_init_atom_encoder_small_mlp (bool): Whether to initialize the small MLP layers with He normal initialization. + he_normal_init_atom_encoder_output (bool): Whether to initialize the output layer with He normal initialization. + """ + + if zero_init_atom_encoder_residual_linear: + nn.init.zeros_(self.linear_no_bias_invd.weight) + nn.init.zeros_(self.linear_no_bias_v.weight) + nn.init.zeros_(self.linear_no_bias_s.weight) + nn.init.zeros_(self.linear_no_bias_z.weight) + nn.init.zeros_(self.linear_no_bias_r.weight) + nn.init.zeros_(self.linear_no_bias_cl.weight) + nn.init.zeros_(self.linear_no_bias_cm.weight) + if he_normal_init_atom_encoder_small_mlp: + for layer in self.small_mlp: + if not isinstance(layer, torch.nn.modules.activation.ReLU): + nn.init.kaiming_normal_( + layer.weight, + a=0, + mode="fan_in", + nonlinearity="relu", + ) + if he_normal_init_atom_encoder_output: + nn.init.kaiming_normal_( + self.linear_no_bias_q.weight, a=0, mode="fan_in", nonlinearity="relu" + ) + + def forward( + self, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + r_l: torch.Tensor = None, + s: torch.Tensor = None, + z: torch.Tensor = None, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: + """ + Args: + input_feature_dict (dict[str, Union[torch.Tensor, int, float, dict]]): input meta feature dict + r_l (torch.Tensor, optional): noisy position. + [..., N_sample, N_atom, 3] if has_coords else None. + s (torch.Tensor, optional): single embedding. + [..., N_sample, N_token, c_s] if has_coords else None. + z (torch.Tensor, optional): pair embedding + [..., N_sample, N_token, N_token, c_z] if has_coords else None. + + Returns: + tuple[torch.Tensor, torch.Tensor, torch.Tensor, torch.Tensor]: the output of AtomAttentionEncoder + a: + [..., (N_sample), N_token, c_token] + q_l: + [..., (N_sample), N_atom, c_atom] + c_l: + [..., (N_sample), N_atom, c_atom] + p_lm: + [..., (N_sample), N_atom, N_atom, c_atompair] + + """ + + if self.has_coords: + assert r_l is not None + assert s is not None + assert z is not None + + atom_to_token_idx = input_feature_dict["atom_to_token_idx"] + # Create the atom single conditioning: Embed per-atom meta data + # [..., N_atom, C_atom] + batch_shape = input_feature_dict["ref_pos"].shape[:-2] + N_atom = input_feature_dict["ref_pos"].shape[-2] + c_l = self.linear_no_bias_f( + torch.cat( + [ + input_feature_dict[name].reshape( + *batch_shape, N_atom, self.input_feature[name] + ) + for name in self.input_feature + ], + dim=-1, + ) + ) + + # Line2-Line4: Embed offsets between atom reference positions + + # Prepare tensors in dense trunks for local operations + q_trunked_list, k_trunked_list, pad_info = rearrange_qk_to_dense_trunk( + q=[input_feature_dict["ref_pos"], input_feature_dict["ref_space_uid"]], + k=[input_feature_dict["ref_pos"], input_feature_dict["ref_space_uid"]], + dim_q=[-2, -1], + dim_k=[-2, -1], + n_queries=self.n_queries, + n_keys=self.n_keys, + compute_mask=True, + ) + + # Compute atom pair feature + d_lm = ( + q_trunked_list[0][..., None, :] - k_trunked_list[0][..., None, :, :] + ) # [..., n_blocks, n_queries, n_keys, 3] + v_lm = ( + q_trunked_list[1][..., None].int() == k_trunked_list[1][..., None, :].int() + ).unsqueeze( + dim=-1 + ) # [..., n_blocks, n_queries, n_keys, 1] + p_lm = (self.linear_no_bias_d(d_lm) * v_lm) * pad_info[ + "mask_trunked" + ].unsqueeze( + dim=-1 + ) # [..., n_blocks, n_queries, n_keys, C_atompair] + + # Line5-Line6: Embed pairwise inverse squared distances, and the valid mask + if inplace_safe: + p_lm += ( + self.linear_no_bias_invd(1 / (1 + (d_lm**2).sum(dim=-1, keepdim=True))) + * v_lm + ) + p_lm += self.linear_no_bias_v(v_lm.to(dtype=p_lm.dtype)) * v_lm + else: + p_lm = ( + p_lm + + self.linear_no_bias_invd( + 1 / (1 + (d_lm**2).sum(dim=-1, keepdim=True)) + ) + * v_lm + ) + p_lm = p_lm + self.linear_no_bias_v(v_lm.to(dtype=p_lm.dtype)) * v_lm + + # Line7: Initialise the atom single representation as the single conditioning + q_l = c_l.clone() + + # If provided, add trunk embeddings and noisy positions + n_token = None + if r_l is not None: + N_sample = r_l.size(-3) + + # Broadcast the single and pair embedding from the trunk + n_token = s.size(-2) + c_l = c_l.unsqueeze(dim=-3) + self.linear_no_bias_s( + self.layernorm_s( + broadcast_token_to_atom( + x_token=s, atom_to_token_idx=atom_to_token_idx + ) + ) + ) # [..., N_sample, N_atom, c_atom] + z_local_pairs, _ = broadcast_token_to_local_atom_pair( + z_token=z, + atom_to_token_idx=atom_to_token_idx, + n_queries=self.n_queries, + n_keys=self.n_keys, + compute_mask=False, + ) # [..., N_sample, n_blocks, n_queries, n_keys, c_z] + p_lm = p_lm.unsqueeze(dim=-5) + self.linear_no_bias_z( + self.layernorm_z(z_local_pairs) + ) # [..., N_sample, n_blocks, n_queries, n_keys, c_atompair] + + # Add the noisy positions + q_l = q_l.unsqueeze(dim=-3) + self.linear_no_bias_r( + r_l + ) # [..., N_sample, N_atom, c_atom] + + # Add the combined single conditioning to the pair representation + c_l_q, c_l_k, _ = rearrange_qk_to_dense_trunk( + q=c_l, + k=c_l, + dim_q=-2, + dim_k=-2, + n_queries=self.n_queries, + n_keys=self.n_keys, + compute_mask=False, + ) + if inplace_safe: + p_lm += self.linear_no_bias_cl(F.relu(c_l_q[..., None, :])) + p_lm += self.linear_no_bias_cm(F.relu(c_l_k[..., None, :, :])) + p_lm += self.small_mlp(p_lm) + else: + p_lm = ( + p_lm + + self.linear_no_bias_cl(F.relu(c_l_q[..., None, :])) + + self.linear_no_bias_cm(F.relu(c_l_k[..., None, :, :])) + ) # [..., (N_sample), n_blocks, n_queries, n_keys, c_atompair] + + # Run a small MLP on the pair activations + p_lm = p_lm + self.small_mlp(p_lm) + + # Cross attention transformer + q_l = self.atom_transformer( + q_l, c_l, p_lm, chunk_size=chunk_size + ) # [..., (N_sample), N_atom, c_atom] + + # Aggregate per-atom representation to per-token representation + a = aggregate_atom_to_token( + x_atom=F.relu(self.linear_no_bias_q(q_l)), + atom_to_token_idx=atom_to_token_idx, + n_token=n_token, + reduce="mean", + ) # [..., (N_sample), N_token, c_token] + if (not self.training) and (a.shape[-2] > 2000 or q_l.shape[-2] > 20000): + torch.cuda.empty_cache() + return a, q_l, c_l, p_lm + + +class AtomAttentionDecoder(nn.Module): + """ + Implements Algorithm 6 in AF3 + """ + + def __init__( + self, + n_blocks: int = 3, + n_heads: int = 4, + c_token: int = 384, + c_atom: int = 128, + c_atompair: int = 16, + n_queries: int = 32, + n_keys: int = 128, + blocks_per_ckpt: Optional[int] = None, + ) -> None: + """ + Args: + n_blocks (int, optional): number of blocks for AtomTransformer. Defaults to 3. + n_heads (int, optional): number of heads for AtomTransformer. Defaults to 4. + c_token (int, optional): feature channel of token (single a). Defaults to 384. + c_atom (int, optional): embedding dim for atom embedding. Defaults to 128. + c_atompair (int, optional): embedding dim for atom pair embedding. + blocks_per_ckpt: number of AtomAttentionDecoder/AtomTransformer blocks in each activation checkpoint + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + """ + super(AtomAttentionDecoder, self).__init__() + self.n_blocks = n_blocks + self.n_heads = n_heads + self.c_token = c_token + self.c_atom = c_atom + self.c_atompair = c_atompair + self.n_queries = n_queries + self.n_keys = n_keys + self.linear_no_bias_a = LinearNoBias(in_features=c_token, out_features=c_atom) + self.layernorm_q = LayerNorm(c_atom) + self.linear_no_bias_out = LinearNoBias(in_features=c_atom, out_features=3) + self.atom_transformer = AtomTransformer( + n_blocks=n_blocks, + n_heads=n_heads, + c_atom=c_atom, + c_atompair=c_atompair, + n_queries=n_queries, + n_keys=n_keys, + blocks_per_ckpt=blocks_per_ckpt, + ) + + def forward( + self, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + a: torch.Tensor, + q_skip: torch.Tensor, + c_skip: torch.Tensor, + p_skip: torch.Tensor, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> torch.Tensor: + """ + Args: + input_feature_dict (dict[str, Union[torch.Tensor, int, float, dict]]): input meta feature dict + a (torch.Tensor): the single feature aggregate per-atom representation + [..., N_token, c_token] + q_skip (torch.Tensor): atom single embedding + [..., N_atom, c_atom] + c_skip (torch.Tensor): atom single embedding + [..., N_atom, c_atom] + p_skip (torch.Tensor): atompair single embedding + [..., n_blocks, n_queries, n_keys, c_atompair] + + Returns: + torch.Tensor: the updated nosiy coordinates + [..., N_atom, 3] + """ + # Broadcast per-token activiations to per-atom activations and add the skip connection + q = ( + self.linear_no_bias_a( + broadcast_token_to_atom( + x_token=a, atom_to_token_idx=input_feature_dict["atom_to_token_idx"] + ) # [..., N_atom, c_token] + ) # [..., N_atom, c_atom] + + q_skip + ) + + # Cross attention transformer + q = self.atom_transformer( + q, c_skip, p_skip, inplace_safe=inplace_safe, chunk_size=chunk_size + ) + + # Map to positions update + r = self.linear_no_bias_out(self.layernorm_q(q)) + + return r diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/protenix.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/protenix.py new file mode 100644 index 0000000000000000000000000000000000000000..66494b4c43df3e5af0fd76d8b417fed0c9d5ad81 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/protenix.py @@ -0,0 +1,723 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import time +from typing import Any, Optional + +import numpy as np +import torch +import torch.nn as nn + +from protenix.model import sample_confidence +from protenix.model.generator import ( + InferenceNoiseScheduler, + TrainingNoiseSampler, + sample_diffusion, + sample_diffusion_training, +) +from protenix.model.utils import simple_merge_dict_list +from protenix.openfold_local.model.primitives import LayerNorm +from protenix.utils.logger import get_logger +from protenix.utils.permutation.permutation import SymmetricPermutation +from protenix.utils.torch_utils import autocasting_disable_decorator + +from .modules.confidence import ConfidenceHead +from .modules.diffusion import DiffusionModule +from .modules.embedders import InputFeatureEmbedder, RelativePositionEncoding +from .modules.head import DistogramHead +from .modules.pairformer import MSAModule, PairformerStack, TemplateEmbedder +from .modules.primitives import LinearNoBias + +logger = get_logger(__name__) + + +class Protenix(nn.Module): + """ + Implements Algorithm 1 [Main Inference/Train Loop] in AF3 + """ + + def __init__(self, configs) -> None: + + super(Protenix, self).__init__() + self.configs = configs + + # Some constants + self.N_cycle = self.configs.model.N_cycle + self.N_model_seed = self.configs.model.N_model_seed + self.train_confidence_only = configs.train_confidence_only + if self.train_confidence_only: # the final finetune stage + assert configs.loss.weight.alpha_diffusion == 0.0 + assert configs.loss.weight.alpha_distogram == 0.0 + + # Diffusion scheduler + self.train_noise_sampler = TrainingNoiseSampler(**configs.train_noise_sampler) + self.inference_noise_scheduler = InferenceNoiseScheduler( + **configs.inference_noise_scheduler + ) + self.diffusion_batch_size = self.configs.diffusion_batch_size + + # Model + self.input_embedder = InputFeatureEmbedder(**configs.model.input_embedder) + self.relative_position_encoding = RelativePositionEncoding( + **configs.model.relative_position_encoding + ) + self.template_embedder = TemplateEmbedder(**configs.model.template_embedder) + self.msa_module = MSAModule( + **configs.model.msa_module, + msa_configs=configs.data.get("msa", {}), + ) + self.pairformer_stack = PairformerStack(**configs.model.pairformer) + self.diffusion_module = DiffusionModule(**configs.model.diffusion_module) + self.distogram_head = DistogramHead(**configs.model.distogram_head) + self.confidence_head = ConfidenceHead(**configs.model.confidence_head) + + self.c_s, self.c_z, self.c_s_inputs = ( + configs.c_s, + configs.c_z, + configs.c_s_inputs, + ) + self.linear_no_bias_sinit = LinearNoBias( + in_features=self.c_s_inputs, out_features=self.c_s + ) + self.linear_no_bias_zinit1 = LinearNoBias( + in_features=self.c_s, out_features=self.c_z + ) + self.linear_no_bias_zinit2 = LinearNoBias( + in_features=self.c_s, out_features=self.c_z + ) + self.linear_no_bias_token_bond = LinearNoBias( + in_features=1, out_features=self.c_z + ) + self.linear_no_bias_z_cycle = LinearNoBias( + in_features=self.c_z, out_features=self.c_z + ) + self.linear_no_bias_s = LinearNoBias( + in_features=self.c_s, out_features=self.c_s + ) + self.layernorm_z_cycle = LayerNorm(self.c_z) + self.layernorm_s = LayerNorm(self.c_s) + + # Zero init the recycling layer + nn.init.zeros_(self.linear_no_bias_z_cycle.weight) + nn.init.zeros_(self.linear_no_bias_s.weight) + + def get_pairformer_output( + self, + input_feature_dict: dict[str, Any], + N_cycle: int, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[torch.Tensor, ...]: + """ + The forward pass from the input to pairformer output + + Args: + input_feature_dict (dict[str, Any]): input features + N_cycle (int): number of cycles + inplace_safe (bool): Whether it is safe to use inplace operations. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + Tuple[torch.Tensor, ...]: s_inputs, s, z + """ + N_token = input_feature_dict["residue_index"].shape[-1] + if N_token <= 16: + # Deepspeed_evo_attention do not support token <= 16 + deepspeed_evo_attention_condition_satisfy = False + else: + deepspeed_evo_attention_condition_satisfy = True + + if self.train_confidence_only: + self.input_embedder.eval() + self.template_embedder.eval() + self.msa_module.eval() + self.pairformer_stack.eval() + + # Line 1-5 + s_inputs = self.input_embedder( + input_feature_dict, inplace_safe=False, chunk_size=chunk_size + ) # [..., N_token, 449] + s_init = self.linear_no_bias_sinit(s_inputs) # [..., N_token, c_s] + z_init = ( + self.linear_no_bias_zinit1(s_init)[..., None, :] + + self.linear_no_bias_zinit2(s_init)[..., None, :, :] + ) # [..., N_token, N_token, c_z] + if inplace_safe: + z_init += self.relative_position_encoding(input_feature_dict) + z_init += self.linear_no_bias_token_bond( + input_feature_dict["token_bonds"].unsqueeze(dim=-1) + ) + else: + z_init = z_init + self.relative_position_encoding(input_feature_dict) + z_init = z_init + self.linear_no_bias_token_bond( + input_feature_dict["token_bonds"].unsqueeze(dim=-1) + ) + # Line 6 + z = torch.zeros_like(z_init) + s = torch.zeros_like(s_init) + + # Line 7-13 recycling + for cycle_no in range(N_cycle): + with torch.set_grad_enabled( + self.training + and (not self.train_confidence_only) + and cycle_no == (N_cycle - 1) + ): + z = z_init + self.linear_no_bias_z_cycle(self.layernorm_z_cycle(z)) + if inplace_safe: + if self.template_embedder.n_blocks > 0: + z += self.template_embedder( + input_feature_dict, + z, + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + z = self.msa_module( + input_feature_dict, + z, + s_inputs, + pair_mask=None, + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + else: + if self.template_embedder.n_blocks > 0: + z = z + self.template_embedder( + input_feature_dict, + z, + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + z = self.msa_module( + input_feature_dict, + z, + s_inputs, + pair_mask=None, + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + s = s_init + self.linear_no_bias_s(self.layernorm_s(s)) + s, z = self.pairformer_stack( + s, + z, + pair_mask=None, + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + if self.train_confidence_only: + self.input_embedder.train() + self.template_embedder.train() + self.msa_module.train() + self.pairformer_stack.train() + + return s_inputs, s, z + + def sample_diffusion(self, **kwargs) -> torch.Tensor: + """ + Samples diffusion process based on the provided configurations. + + Returns: + torch.Tensor: The result of the diffusion sampling process. + """ + _configs = { + key: self.configs.sample_diffusion.get(key) + for key in [ + "gamma0", + "gamma_min", + "noise_scale_lambda", + "step_scale_eta", + ] + } + _configs.update( + { + "attn_chunk_size": ( + self.configs.infer_setting.chunk_size if not self.training else None + ), + "diffusion_chunk_size": ( + self.configs.infer_setting.sample_diffusion_chunk_size + if not self.training + else None + ), + } + ) + return autocasting_disable_decorator(self.configs.skip_amp.sample_diffusion)( + sample_diffusion + )(**_configs, **kwargs) + + def run_confidence_head(self, *args, **kwargs): + """ + Runs the confidence head with optional automatic mixed precision (AMP) disabled. + + Returns: + Any: The output of the confidence head. + """ + return autocasting_disable_decorator(self.configs.skip_amp.confidence_head)( + self.confidence_head + )(*args, **kwargs) + + def main_inference_loop( + self, + input_feature_dict: dict[str, Any], + label_dict: dict[str, Any], + N_cycle: int, + mode: str, + inplace_safe: bool = True, + chunk_size: Optional[int] = 4, + N_model_seed: int = 1, + symmetric_permutation: SymmetricPermutation = None, + ) -> tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: + """ + Main inference loop (multiple model seeds) for the Alphafold3 model. + + Args: + input_feature_dict (dict[str, Any]): Input features dictionary. + label_dict (dict[str, Any]): Label dictionary. + N_cycle (int): Number of cycles. + mode (str): Mode of operation (e.g., 'inference'). + inplace_safe (bool): Whether to use inplace operations safely. Defaults to True. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to 4. + N_model_seed (int): Number of model seeds. Defaults to 1. + symmetric_permutation (SymmetricPermutation): Symmetric permutation object. Defaults to None. + + Returns: + tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: Prediction, log, and time dictionaries. + """ + pred_dicts = [] + log_dicts = [] + time_trackers = [] + for _ in range(N_model_seed): + pred_dict, log_dict, time_tracker = self._main_inference_loop( + input_feature_dict=input_feature_dict, + label_dict=label_dict, + N_cycle=N_cycle, + mode=mode, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + symmetric_permutation=symmetric_permutation, + ) + pred_dicts.append(pred_dict) + log_dicts.append(log_dict) + time_trackers.append(time_tracker) + + # Combine outputs of multiple models + def _cat(dict_list, key): + return torch.cat([x[key] for x in dict_list], dim=0) + + def _list_join(dict_list, key): + return sum([x[key] for x in dict_list], []) + + all_pred_dict = { + "coordinate": _cat(pred_dicts, "coordinate"), + "summary_confidence": _list_join(pred_dicts, "summary_confidence"), + "full_data": _list_join(pred_dicts, "full_data"), + "plddt": _cat(pred_dicts, "plddt"), + "pae": _cat(pred_dicts, "pae"), + "pde": _cat(pred_dicts, "pde"), + "resolved": _cat(pred_dicts, "resolved"), + } + + all_log_dict = simple_merge_dict_list(log_dicts) + all_time_dict = simple_merge_dict_list(time_trackers) + return all_pred_dict, all_log_dict, all_time_dict + + def _main_inference_loop( + self, + input_feature_dict: dict[str, Any], + label_dict: dict[str, Any], + N_cycle: int, + mode: str, + inplace_safe: bool = True, + chunk_size: Optional[int] = 4, + symmetric_permutation: SymmetricPermutation = None, + ) -> tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: + """ + Main inference loop (single model seed) for the Alphafold3 model. + + Returns: + tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: Prediction, log, and time dictionaries. + """ + step_st = time.time() + N_token = input_feature_dict["residue_index"].shape[-1] + if N_token <= 16: + deepspeed_evo_attention_condition_satisfy = False + else: + deepspeed_evo_attention_condition_satisfy = True + + log_dict = {} + pred_dict = {} + time_tracker = {} + + s_inputs, s, z = self.get_pairformer_output( + input_feature_dict=input_feature_dict, + N_cycle=N_cycle, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + if mode == "inference": + keys_to_delete = [] + for key in input_feature_dict.keys(): + if "template_" in key or key in [ + "msa", + "has_deletion", + "deletion_value", + "profile", + "deletion_mean", + "token_bonds", + ]: + keys_to_delete.append(key) + + for key in keys_to_delete: + del input_feature_dict[key] + torch.cuda.empty_cache() + step_trunk = time.time() + time_tracker.update({"pairformer": step_trunk - step_st}) + # Sample diffusion + # [..., N_sample, N_atom, 3] + N_sample = self.configs.sample_diffusion["N_sample"] + N_step = self.configs.sample_diffusion["N_step"] + + noise_schedule = self.inference_noise_scheduler( + N_step=N_step, device=s_inputs.device, dtype=s_inputs.dtype + ) + pred_dict["coordinate"] = self.sample_diffusion( + denoise_net=self.diffusion_module, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s, + z_trunk=z, + N_sample=N_sample, + noise_schedule=noise_schedule, + inplace_safe=inplace_safe, + ) + + step_diffusion = time.time() + time_tracker.update({"diffusion": step_diffusion - step_trunk}) + if mode == "inference" and N_token > 2000: + torch.cuda.empty_cache() + # Distogram logits: log contact_probs only, to reduce the dimension + pred_dict["contact_probs"] = sample_confidence.compute_contact_prob( + distogram_logits=self.distogram_head(z), + **sample_confidence.get_bin_params(self.configs.loss.distogram), + ) # [N_token, N_token] + + # Confidence logits + ( + pred_dict["plddt"], + pred_dict["pae"], + pred_dict["pde"], + pred_dict["resolved"], + ) = self.run_confidence_head( + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s, + z_trunk=z, + pair_mask=None, + x_pred_coords=pred_dict["coordinate"], + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + step_confidence = time.time() + time_tracker.update({"confidence": step_confidence - step_diffusion}) + time_tracker.update({"model_forward": time.time() - step_st}) + + # Permutation: when label is given, permute coordinates and other heads + if label_dict is not None and symmetric_permutation is not None: + pred_dict, log_dict = symmetric_permutation.permute_inference_pred_dict( + input_feature_dict=input_feature_dict, + pred_dict=pred_dict, + label_dict=label_dict, + permute_by_pocket=("pocket_mask" in label_dict) + and ("interested_ligand_mask" in label_dict), + ) + last_step_seconds = step_confidence + time_tracker.update({"permutation": time.time() - last_step_seconds}) + + # Summary Confidence & Full Data + # Computed after coordinates and logits are permuted + if label_dict is None: + interested_atom_mask = None + else: + interested_atom_mask = label_dict.get("interested_ligand_mask", None) + pred_dict["summary_confidence"], pred_dict["full_data"] = ( + sample_confidence.compute_full_data_and_summary( + configs=self.configs, + pae_logits=pred_dict["pae"], + plddt_logits=pred_dict["plddt"], + pde_logits=pred_dict["pde"], + contact_probs=pred_dict.get( + "per_sample_contact_probs", pred_dict["contact_probs"] + ), + token_asym_id=input_feature_dict["asym_id"], + token_has_frame=input_feature_dict["has_frame"], + atom_coordinate=pred_dict["coordinate"], + atom_to_token_idx=input_feature_dict["atom_to_token_idx"], + atom_is_polymer=1 - input_feature_dict["is_ligand"], + N_recycle=N_cycle, + interested_atom_mask=interested_atom_mask, + return_full_data=True, + mol_id=(input_feature_dict["mol_id"] if mode != "inference" else None), + elements_one_hot=( + input_feature_dict["ref_element"] if mode != "inference" else None + ), + ) + ) + + return pred_dict, log_dict, time_tracker + + def main_train_loop( + self, + input_feature_dict: dict[str, Any], + label_full_dict: dict[str, Any], + label_dict: dict, + N_cycle: int, + symmetric_permutation: SymmetricPermutation, + inplace_safe: bool = False, + chunk_size: Optional[int] = None, + ) -> tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: + """ + Main training loop for the Alphafold3 model. + + Args: + input_feature_dict (dict[str, Any]): Input features dictionary. + label_full_dict (dict[str, Any]): Full label dictionary (uncropped). + label_dict (dict): Label dictionary (cropped). + N_cycle (int): Number of cycles. + symmetric_permutation (SymmetricPermutation): Symmetric permutation object. + inplace_safe (bool): Whether to use inplace operations safely. Defaults to False. + chunk_size (Optional[int]): Chunk size for memory-efficient operations. Defaults to None. + + Returns: + tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: + Prediction, updated label, and log dictionaries. + """ + N_token = input_feature_dict["residue_index"].shape[-1] + if N_token <= 16: + deepspeed_evo_attention_condition_satisfy = False + else: + deepspeed_evo_attention_condition_satisfy = True + + s_inputs, s, z = self.get_pairformer_output( + input_feature_dict=input_feature_dict, + N_cycle=N_cycle, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + + log_dict = {} + pred_dict = {} + + # Mini-rollout: used for confidence and label permutation + with torch.no_grad(): + # [..., 1, N_atom, 3] + N_sample_mini_rollout = self.configs.sample_diffusion[ + "N_sample_mini_rollout" + ] # =1 + N_step_mini_rollout = self.configs.sample_diffusion["N_step_mini_rollout"] + + coordinate_mini = self.sample_diffusion( + denoise_net=self.diffusion_module, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs.detach(), + s_trunk=s.detach(), + z_trunk=z.detach(), + N_sample=N_sample_mini_rollout, + noise_schedule=self.inference_noise_scheduler( + N_step=N_step_mini_rollout, + device=s_inputs.device, + dtype=s_inputs.dtype, + ), + ) + coordinate_mini.detach_() + pred_dict["coordinate_mini"] = coordinate_mini + + # Permute ground truth to match mini-rollout prediction + label_dict, perm_log_dict = ( + symmetric_permutation.permute_label_to_match_mini_rollout( + coordinate_mini, + input_feature_dict, + label_dict, + label_full_dict, + ) + ) + log_dict.update(perm_log_dict) + + # Confidence: use mini-rollout prediction, and detach token embeddings + plddt_pred, pae_pred, pde_pred, resolved_pred = self.run_confidence_head( + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s, + z_trunk=z, + pair_mask=None, + x_pred_coords=coordinate_mini, + use_memory_efficient_kernel=self.configs.use_memory_efficient_kernel, + use_deepspeed_evo_attention=self.configs.use_deepspeed_evo_attention + and deepspeed_evo_attention_condition_satisfy, + use_lma=self.configs.use_lma, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + pred_dict.update( + { + "plddt": plddt_pred, + "pae": pae_pred, + "pde": pde_pred, + "resolved": resolved_pred, + } + ) + + if self.train_confidence_only: + # Skip diffusion loss and distogram loss. Return now. + return pred_dict, label_dict, log_dict + + # Denoising: use permuted coords to generate noisy samples and perform denoising + # x_denoised: [..., N_sample, N_atom, 3] + # x_noise_level: [..., N_sample] + N_sample = self.diffusion_batch_size + _, x_denoised, x_noise_level = autocasting_disable_decorator( + self.configs.skip_amp.sample_diffusion_training + )(sample_diffusion_training)( + noise_sampler=self.train_noise_sampler, + denoise_net=self.diffusion_module, + label_dict=label_dict, + input_feature_dict=input_feature_dict, + s_inputs=s_inputs, + s_trunk=s, + z_trunk=z, + N_sample=N_sample, + diffusion_chunk_size=self.configs.diffusion_chunk_size, + ) + pred_dict.update( + { + "distogram": self.distogram_head(z), + # [..., N_sample=48, N_atom, 3]: diffusion loss + "coordinate": x_denoised, + "noise_level": x_noise_level, + } + ) + + # Permute symmetric atom/chain in each sample to match true structure + # Note: currently chains cannot be permuted since label is cropped + pred_dict, perm_log_dict, _, _ = ( + symmetric_permutation.permute_diffusion_sample_to_match_label( + input_feature_dict, pred_dict, label_dict, stage="train" + ) + ) + log_dict.update(perm_log_dict) + + return pred_dict, label_dict, log_dict + + def forward( + self, + input_feature_dict: dict[str, Any], + label_full_dict: dict[str, Any], + label_dict: dict[str, Any], + mode: str = "inference", + current_step: Optional[int] = None, + symmetric_permutation: SymmetricPermutation = None, + ) -> tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: + """ + Forward pass of the Alphafold3 model. + + Args: + input_feature_dict (dict[str, Any]): Input features dictionary. + label_full_dict (dict[str, Any]): Full label dictionary (uncropped). + label_dict (dict[str, Any]): Label dictionary (cropped). + mode (str): Mode of operation ('train', 'inference', 'eval'). Defaults to 'inference'. + current_step (Optional[int]): Current training step. Defaults to None. + symmetric_permutation (SymmetricPermutation): Symmetric permutation object. Defaults to None. + + Returns: + tuple[dict[str, torch.Tensor], dict[str, Any], dict[str, Any]]: + Prediction, updated label, and log dictionaries. + """ + + assert mode in ["train", "inference", "eval"] + inplace_safe = not (self.training or torch.is_grad_enabled()) + chunk_size = self.configs.infer_setting.chunk_size if inplace_safe else None + + if mode == "train": + nc_rng = np.random.RandomState(current_step) + N_cycle = nc_rng.randint(1, self.N_cycle + 1) + assert self.training + assert label_dict is not None + assert symmetric_permutation is not None + + pred_dict, label_dict, log_dict = self.main_train_loop( + input_feature_dict=input_feature_dict, + label_full_dict=label_full_dict, + label_dict=label_dict, + N_cycle=N_cycle, + symmetric_permutation=symmetric_permutation, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + ) + elif mode == "inference": + pred_dict, log_dict, time_tracker = self.main_inference_loop( + input_feature_dict=input_feature_dict, + label_dict=None, + N_cycle=self.N_cycle, + mode=mode, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + N_model_seed=self.N_model_seed, + symmetric_permutation=None, + ) + log_dict.update({"time": time_tracker}) + elif mode == "eval": + if label_dict is not None: + assert ( + label_dict["coordinate"].size() + == label_full_dict["coordinate"].size() + ) + label_dict.update(label_full_dict) + + pred_dict, log_dict, time_tracker = self.main_inference_loop( + input_feature_dict=input_feature_dict, + label_dict=label_dict, + N_cycle=self.N_cycle, + mode=mode, + inplace_safe=inplace_safe, + chunk_size=chunk_size, + N_model_seed=self.N_model_seed, + symmetric_permutation=symmetric_permutation, + ) + log_dict.update({"time": time_tracker}) + + return pred_dict, label_dict, log_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/sample_confidence.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/sample_confidence.py new file mode 100644 index 0000000000000000000000000000000000000000..09b4c86f1675f094cfac8cca1d39bd835fe0a042 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/sample_confidence.py @@ -0,0 +1,771 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Optional, Union + +import torch +from ml_collections.config_dict import ConfigDict + +from protenix.metrics.clash import Clash +from protenix.utils.distributed import traverse_and_aggregate + + +def merge_per_sample_confidence_scores(summary_confidence_list: list[dict]) -> dict: + """ + Merge confidence scores from multiple samples into a single dictionary. + + Args: + summary_confidence_list (list[dict]): List of dictionaries containing confidence scores for each sample. + + Returns: + dict: Merged dictionary of confidence scores. + """ + + def stack_score(tensor_list: list): + if tensor_list[0].dim() == 0: + tensor_list = [x.unsqueeze(0) for x in tensor_list] + score = torch.stack(tensor_list, dim=0) + return score + + return traverse_and_aggregate(summary_confidence_list, aggregation_func=stack_score) + + +def _compute_full_data_and_summary( + configs: ConfigDict, + pae_logits: torch.Tensor, + plddt_logits: torch.Tensor, + pde_logits: torch.Tensor, + contact_probs: torch.Tensor, + token_asym_id: torch.Tensor, + token_has_frame: torch.Tensor, + atom_coordinate: torch.Tensor, + atom_to_token_idx: torch.Tensor, + atom_is_polymer: torch.Tensor, + N_recycle: int, + interested_atom_mask: Optional[torch.Tensor] = None, + elements_one_hot: Optional[torch.Tensor] = None, + mol_id: Optional[torch.Tensor] = None, + return_full_data: bool = False, +) -> tuple[list[dict], list[dict]]: + """ + Compute full data and summary confidence scores for the given inputs. + + Args: + configs: Configuration object. + pae_logits (torch.Tensor): Logits for PAE (Predicted Aligned Error). + plddt_logits (torch.Tensor): Logits for pLDDT (Predicted Local Distance Difference Test). + pde_logits (torch.Tensor): Logits for PDE (Predicted Distance Error). + contact_probs (torch.Tensor): Contact probabilities. + token_asym_id (torch.Tensor): Asymmetric ID for tokens. + token_has_frame (torch.Tensor): Indicator for tokens having a frame. + atom_coordinate (torch.Tensor): Atom coordinates. + atom_to_token_idx (torch.Tensor): Mapping from atoms to tokens. + atom_is_polymer (torch.Tensor): Indicator for atoms being part of a polymer. + N_recycle (int): Number of recycles. + interested_atom_mask (Optional[torch.Tensor]): Mask for interested atoms. Defaults to None. + elements_one_hot (Optional[torch.Tensor]): One-hot encoding for elements. Defaults to None. + mol_id (Optional[torch.Tensor]): Molecular ID. Defaults to None. + return_full_data (bool): Whether to return full data. Defaults to False. + + Returns: + tuple[list[dict], list[dict]]: + - summary_confidence: List of dictionaries containing summary confidence scores. + - full_data: List of dictionaries containing full data if `return_full_data` is True. + """ + atom_is_ligand = (1 - atom_is_polymer).long() + token_is_ligand = torch.zeros_like(token_asym_id).scatter_add( + 0, atom_to_token_idx, atom_is_ligand + ) + token_is_ligand = token_is_ligand > 0 + + full_data = {} + full_data["atom_plddt"] = logits_to_score( + plddt_logits, **get_bin_params(configs.loss.plddt) + ) # [N_s, N_atom] + # Cpu offload for saving cuda memory + pde_logits = pde_logits.to(plddt_logits.device) + full_data["token_pair_pde"] = logits_to_score( + pde_logits, **get_bin_params(configs.loss.pde) + ) # [N_s, N_token, N_token] + del pde_logits + full_data["contact_probs"] = contact_probs.clone() # [N_token, N_token] + pae_logits = pae_logits.to(plddt_logits.device) + full_data["token_pair_pae"], pae_prob = logits_to_score( + pae_logits, **get_bin_params(configs.loss.pae), return_prob=True + ) # [N_s, N_token, N_token] + del pae_logits + + summary_confidence = {} + summary_confidence["plddt"] = full_data["atom_plddt"].mean(dim=-1) * 100 # [N_s, ] + summary_confidence["gpde"] = ( + full_data["token_pair_pde"] * full_data["contact_probs"] + ).sum(dim=[-1, -2]) / full_data["contact_probs"].sum(dim=[-1, -2]) + + summary_confidence["ptm"] = calculate_ptm( + pae_prob, has_frame=token_has_frame, **get_bin_params(configs.loss.pae) + ) # [N_s, ] + summary_confidence["iptm"] = calculate_iptm( + pae_prob, + has_frame=token_has_frame, + asym_id=token_asym_id, + **get_bin_params(configs.loss.pae) + ) # [N_s, ] + + # Add: 'chain_pair_iptm', 'chain_pair_iptm_global' 'chain_iptm', 'chain_ptm' + summary_confidence.update( + calculate_chain_based_ptm( + pae_prob, + has_frame=token_has_frame, + asym_id=token_asym_id, + token_is_ligand=token_is_ligand, + **get_bin_params(configs.loss.pae) + ) + ) + # Add: 'chain_plddt', 'chain_pair_plddt' + summary_confidence.update( + calculate_chain_based_plddt( + full_data["atom_plddt"], token_asym_id, atom_to_token_idx + ) + ) + del pae_prob + summary_confidence["has_clash"] = calculate_clash( + atom_coordinate, + token_asym_id, + atom_to_token_idx, + atom_is_polymer, + configs.metrics.clash.af3_clash_threshold, + ) + summary_confidence["num_recycles"] = torch.tensor( + N_recycle, device=atom_coordinate.device + ) + # TODO: disorder + summary_confidence["disorder"] = torch.zeros_like(summary_confidence["ptm"]) + summary_confidence["ranking_score"] = ( + 0.8 * summary_confidence["iptm"] + + 0.2 * summary_confidence["ptm"] + + 0.5 * summary_confidence["disorder"] + - 100 * summary_confidence["has_clash"] + ) + if interested_atom_mask is not None: + token_idx = atom_to_token_idx[interested_atom_mask[0].bool()].long() + asym_ids = token_asym_id[token_idx] + assert len(torch.unique(asym_ids)) == 1 + interested_asym_id = asym_ids[0].item() + N_chains = token_asym_id.max().long().item() + 1 + pb_ranking_score = summary_confidence["chain_pair_iptm_global"][ + :, interested_asym_id, torch.arange(N_chains) != interested_asym_id + ] # [N_s, N_chain - 1] + summary_confidence["pb_ranking_score"] = pb_ranking_score[:, 0] + if elements_one_hot is not None and mol_id is not None: + vdw_clash = calculate_vdw_clash( + pred_coordinate=atom_coordinate, + asym_id=token_asym_id, + mol_id=mol_id, + is_polymer=atom_is_polymer, + atom_token_idx=atom_to_token_idx, + elements_one_hot=elements_one_hot, + threshold=configs.metrics.clash.vdw_clash_threshold, + ) + N_sample = atom_coordinate.shape[0] + vdw_clash_per_sample_flag = ( + vdw_clash[:, interested_asym_id, :].reshape(N_sample, -1).max(dim=-1)[0] + ) + summary_confidence["has_vdw_pl_clash"] = vdw_clash_per_sample_flag + summary_confidence["pb_ranking_score_vdw_penalized"] = ( + summary_confidence["pb_ranking_score"] - 100 * vdw_clash_per_sample_flag + ) + + summary_confidence = break_down_to_per_sample_dict( + summary_confidence, shared_keys=["num_recycles"] + ) + torch.cuda.empty_cache() + if return_full_data: + # save extra inputs that are used for computing summary_confidence + full_data["token_has_frame"] = token_has_frame.clone() + full_data["token_asym_id"] = token_asym_id.clone() + full_data["atom_to_token_idx"] = atom_to_token_idx.clone() + full_data["atom_is_polymer"] = atom_is_polymer.clone() + full_data["atom_coordinate"] = atom_coordinate.clone() + + full_data = break_down_to_per_sample_dict( + full_data, + shared_keys=[ + "contact_probs", + "token_has_frame", + "token_asym_id", + "atom_to_token_idx", + "atom_is_polymer", + ], + ) + return summary_confidence, full_data + else: + return summary_confidence, [{}] + + +def get_bin_params(cfg: ConfigDict) -> dict: + """ + Extract bin parameters from the configuration object. + """ + return {"min_bin": cfg.min_bin, "max_bin": cfg.max_bin, "no_bins": cfg.no_bins} + + +def compute_contact_prob( + distogram_logits: torch.Tensor, + min_bin: float, + max_bin: float, + no_bins: int, + thres=8.0, +) -> torch.Tensor: + """ + Compute the contact probability from distogram logits. + + Args: + distogram_logits (torch.Tensor): Logits for the distogram. + Shape: [N_token, N_token, N_bins] + min_bin (float): Minimum bin value. + max_bin (float): Maximum bin value. + no_bins (int): Number of bins. + thres (float): Threshold distance for contact probability. Defaults to 8.0. + + Returns: + torch.Tensor: Contact probability. + Shape: [N_token, N_token] + """ + distogram_prob = torch.nn.functional.softmax( + distogram_logits, dim=-1 + ) # [N_token, N_token, N_bins] + distogram_bins = get_bin_centers(min_bin, max_bin, no_bins) + thres_idx = (distogram_bins < thres).sum() + contact_prob = distogram_prob[..., :thres_idx].sum(-1) + return contact_prob + + +def get_bin_centers(min_bin: float, max_bin: float, no_bins: int) -> torch.Tensor: + """ + Calculate the centers of the bins for a given range and number of bins. + + Args: + min_bin (float): The minimum value of the bin range. + max_bin (float): The maximum value of the bin range. + no_bins (int): The number of bins. + + Returns: + torch.Tensor: The centers of the bins. + Shape: [no_bins] + """ + bin_width = (max_bin - min_bin) / no_bins + boundaries = torch.linspace( + start=min_bin, + end=max_bin - bin_width, + steps=no_bins, + ) + bin_centers = boundaries + 0.5 * bin_width + return bin_centers + + +def logits_to_prob(logits: torch.Tensor, dim=-1) -> torch.Tensor: + return torch.nn.functional.softmax(logits, dim=dim) + + +def logits_to_score( + logits: torch.Tensor, + min_bin: float, + max_bin: float, + no_bins: int, + return_prob=False, +) -> Union[torch.Tensor, tuple[torch.Tensor, torch.Tensor]]: + """ + Convert logits to a score using bin centers. + + Args: + logits (torch.Tensor): Logits tensor. + Shape: [..., no_bins] + min_bin (float): Minimum bin value. + max_bin (float): Maximum bin value. + no_bins (int): Number of bins. + return_prob (bool): Whether to return the probability distribution. Defaults to False. + + Returns: + score (torch.Tensor): Converted score. + Shape: [...] + prob (torch.Tensor, optional): Probability distribution if `return_prob` is True. + Shape: [..., no_bins] + """ + prob = logits_to_prob(logits, dim=-1) + bin_centers = get_bin_centers(min_bin, max_bin, no_bins).to(logits.device) + score = prob @ bin_centers + if return_prob: + return score, prob + else: + return score + + +def calculate_normalization(N): + # TM-score normalization constant + return 1.24 * (max(N, 19) - 15) ** (1 / 3) - 1.8 + + +def calculate_vdw_clash( + pred_coordinate: torch.Tensor, + asym_id: torch.LongTensor, + mol_id: torch.LongTensor, + atom_token_idx: torch.LongTensor, + is_polymer: torch.BoolTensor, + elements_one_hot: torch.Tensor, + threshold: float, +) -> torch.Tensor: + """ + Calculate Van der Waals (VDW) clash for predicted coordinates. + + Args: + pred_coordinate (torch.Tensor): Predicted coordinates of atoms. + Shape: [N_sample, N_atom, 3] + asym_id (torch.LongTensor): Asymmetric ID for tokens. + Shape: [N_token] + mol_id (torch.LongTensor): Molecular ID. + Shape: [N_atom] + atom_token_idx (torch.LongTensor): Mapping from atoms to tokens. + Shape: [N_atom] + is_polymer (torch.BoolTensor): Indicator for atoms being part of a polymer. + Shape: [N_atom] + elements_one_hot (torch.Tensor): One-hot encoding for elements. + Shape: [N_atom, N_elements] + threshold (float): Threshold for VDW clash detection. + + Returns: + torch.Tensor: VDW clash summary. + Shape: [N_sample] + """ + clash_calculator = Clash(vdw_clash_threshold=threshold, compute_af3_clash=False) + # Check ligand-polymer VDW clash + N_sample = pred_coordinate.shape[0] + dummy_is_dna = torch.zeros_like(is_polymer) + dummy_is_rna = torch.zeros_like(is_polymer) + clash_dict = clash_calculator( + pred_coordinate=pred_coordinate, + asym_id=asym_id, + atom_to_token_idx=atom_token_idx, + mol_id=mol_id, + is_ligand=1 - is_polymer, + is_protein=is_polymer, + is_dna=dummy_is_dna, + is_rna=dummy_is_rna, + elements_one_hot=elements_one_hot, + ) + return clash_dict["summary"]["vdw_clash"] + + +def calculate_clash( + pred_coordinate: torch.Tensor, + asym_id: torch.LongTensor, + atom_to_token_idx: torch.LongTensor, + is_polymer: torch.BoolTensor, + threshold: float, +) -> torch.Tensor: + """Check complex clash + + Args: + pred_coordinate (torch.Tensor): [N_sample, N_atom, 3] + asym_id (torch.LongTensor): [N_token, ] + atom_to_token_idx (torch.LongTensor): [N_atom, ] + is_polymer (torch.BoolTensor): [N_atom, ] + threshold: (float) + + Returns: + torch.Tensor: [N_sample] whether there is a clash in the complex + """ + N_sample = pred_coordinate.shape[0] + dummy_is_dna = torch.zeros_like(is_polymer) + dummy_is_rna = torch.zeros_like(is_polymer) + clash_calculator = Clash(vdw_clash_threshold=threshold, compute_vdw_clash=False) + clash_dict = clash_calculator( + pred_coordinate, + asym_id, + atom_to_token_idx, + 1 - is_polymer, + is_polymer, + dummy_is_dna, + dummy_is_rna, + ) + return clash_dict["summary"]["af3_clash"].reshape(N_sample, -1).max(dim=-1)[0] + + +def calculate_ptm( + pae_prob: torch.Tensor, + has_frame: torch.BoolTensor, + min_bin: float, + max_bin: float, + no_bins: int, + token_mask: Optional[torch.BoolTensor] = None, +) -> torch.Tensor: + """Compute pTM score + + Args: + pae_prob (torch.Tensor): Predicted probability from PAE loss head. + Shape: [..., N_token, N_token, N_bins] + has_frame (torch.BoolTensor): Indicator for tokens having a frame. + Shape: [N_token, ] + min_bin (float): Minimum bin value. + max_bin (float): Maximum bin value. + no_bins (int): Number of bins. + token_mask (Optional[torch.BoolTensor]): Mask for tokens. + Shape: [N_token, ] or None + + Returns: + torch.Tensor: pTM score. Higher values indicate better ranking. + Shape: [...] + """ + has_frame = has_frame.bool() + + if token_mask is not None: + token_mask = token_mask.bool() + pae_prob = pae_prob[..., token_mask, :, :][ + ..., :, token_mask, : + ] # [..., N_d, N_d, N_bins] + has_frame = has_frame[token_mask] # [N_d, ] + + if has_frame.sum() == 0: + return torch.zeros(size=pae_prob.shape[:-3], device=pae_prob.device) + + N_d = has_frame.shape[-1] + ptm_norm = calculate_normalization(N_d) + + bin_center = get_bin_centers(min_bin, max_bin, no_bins) + per_bin_weight = (1 / (1 + (bin_center / ptm_norm) ** 2)).to( + pae_prob.device + ) # [N_bins] + + token_token_ptm = (pae_prob * per_bin_weight).sum(dim=-1) # [..., N_d, N_d] + + ptm = token_token_ptm.mean(dim=-1)[..., has_frame].max(dim=-1).values + return ptm + + +def calculate_chain_based_ptm( + pae_prob: torch.Tensor, + has_frame: torch.BoolTensor, + asym_id: torch.LongTensor, + token_is_ligand: torch.BoolTensor, + min_bin: float, + max_bin: float, + no_bins: int, +) -> dict[str, torch.Tensor]: + """ + Compute chain-based pTM scores. + + Args: + pae_prob (torch.Tensor): Predicted probability from PAE loss head. + Shape: [..., N_token, N_token, N_bins] + has_frame (torch.BoolTensor): Indicator for tokens having a frame. + Shape: [N_token, ] + asym_id (torch.LongTensor): Asymmetric ID for tokens. + Shape: [N_token, ] + token_is_ligand (torch.BoolTensor): Indicator for tokens being ligands. + Shape: [N_token, ] + min_bin (float): Minimum bin value. + max_bin (float): Maximum bin value. + no_bins (int): Number of bins. + + Returns: + dict: Dictionary containing chain-based pTM scores. + - chain_ptm (torch.Tensor): pTM scores for each chain. + - chain_iptm (torch.Tensor): ipTM scores for chain interface. + - chain_pair_iptm (torch.Tensor): Pairwise ipTM scores between chains. + - chain_pair_iptm_global (torch.Tensor): Global pairwise ipTM scores between chains. + """ + + has_frame = has_frame.bool() + asym_id = asym_id.long() + asym_id_to_asym_mask = {aid.item(): asym_id == aid for aid in torch.unique(asym_id)} + chain_is_ligand = { + aid.item(): token_is_ligand[asym_id == aid].sum() >= (asym_id == aid).sum() // 2 + for aid in torch.unique(asym_id) + } + + batch_shape = pae_prob.shape[:-3] + + # Chain_pair_iptm + # Change to dense tensor, otherwise it's troublesome in break_down_to_per_sample_dict and traverse_and_aggregate across different devices + N_chain = len(asym_id_to_asym_mask) + chain_pair_iptm = torch.zeros(size=batch_shape + (N_chain, N_chain)).to( + pae_prob.device + ) + for aid_1 in range(N_chain): + for aid_2 in range(N_chain): + if aid_1 == aid_2: + continue + if aid_1 > aid_2: + chain_pair_iptm[:, aid_1, aid_2] = chain_pair_iptm[:, aid_2, aid_1] + continue + pair_mask = asym_id_to_asym_mask[aid_1] + asym_id_to_asym_mask[aid_2] + chain_pair_iptm[:, aid_1, aid_2] = calculate_iptm( + pae_prob, + has_frame, + asym_id, + min_bin, + max_bin, + no_bins, + token_mask=pair_mask, + ) + + # chain_ptm + chain_ptm = torch.zeros(size=batch_shape + (N_chain,)).to(pae_prob.device) + for aid, asym_mask in asym_id_to_asym_mask.items(): + chain_ptm[:, aid] = calculate_ptm( + pae_prob, + has_frame, + min_bin, + max_bin, + no_bins, + token_mask=asym_mask, + ) + + # Chain iptm + chain_has_frame = [ + (asym_id_to_asym_mask[i] * has_frame).any() for i in range(N_chain) + ] + + chain_iptm = torch.zeros(size=batch_shape + (N_chain,)).to(pae_prob.device) + for aid, asym_mask in asym_id_to_asym_mask.items(): + pairs = [ + (i, j) + for i in range(N_chain) + for j in range(N_chain) + if (i == aid or j == aid) and (i != j) and chain_has_frame[i] + ] + vals = [chain_pair_iptm[:, i, j] for (i, j) in pairs] + if len(vals) > 0: + chain_iptm[:, aid] = torch.stack(vals, dim=-1).mean(dim=-1) + + # Chain_pair_iptm_global + chain_pair_iptm_global = torch.zeros(size=batch_shape + (N_chain, N_chain)).to( + pae_prob.device + ) + for aid_1 in range(N_chain): + for aid_2 in range(N_chain): + if aid_1 == aid_2: + continue + if chain_is_ligand[aid_1]: + chain_pair_iptm_global[:, aid_1, aid_2] = chain_iptm[:, aid_1] + elif chain_is_ligand[aid_2]: + chain_pair_iptm_global[:, aid_1, aid_2] = chain_iptm[:, aid_2] + else: + chain_pair_iptm_global[:, aid_1, aid_2] = ( + chain_iptm[:, aid_1] + chain_iptm[:, aid_2] + ) * 0.5 + + return { + "chain_ptm": chain_ptm, + "chain_iptm": chain_iptm, + "chain_pair_iptm": chain_pair_iptm, + "chain_pair_iptm_global": chain_pair_iptm_global, + } + + +def calculate_chain_based_plddt( + atom_plddt: torch.Tensor, + asym_id: torch.LongTensor, + atom_to_token_idx: torch.LongTensor, +) -> dict[str, torch.Tensor]: + """ + Calculate chain-based pLDDT scores. + + Args: + atom_plddt (torch.Tensor): Predicted pLDDT scores for atoms. + Shape: [N_sample, N_atom] + asym_id (torch.LongTensor): Asymmetric ID for tokens. + Shape: [N_token] + atom_to_token_idx (torch.LongTensor): Mapping from atoms to tokens. + Shape: [N_atom] + + Returns: + dict: Dictionary containing chain-based pLDDT scores. + - chain_plddt (torch.Tensor): pLDDT scores for each chain. + - chain_pair_plddt (torch.Tensor): Pairwise pLDDT scores between chains. + """ + + asym_id = asym_id.long() + asym_id_to_asym_mask = {aid.item(): asym_id == aid for aid in torch.unique(asym_id)} + N_chain = len(asym_id_to_asym_mask) + assert N_chain == asym_id.max() + 1 # make sure it is from 0 to N_chain-1 + + def _calculate_lddt_with_token_mask(token_mask): + atom_mask = token_mask[atom_to_token_idx] + sub_plddt = atom_plddt[:, atom_mask].mean(-1) + return sub_plddt + + batch_shape = atom_plddt.shape[:-1] + # Chain_plddt + chain_plddt = torch.zeros(size=batch_shape + (N_chain,)).to(atom_plddt.device) + for aid, asym_mask in asym_id_to_asym_mask.items(): + chain_plddt[:, aid] = _calculate_lddt_with_token_mask(token_mask=asym_mask) + + # Chain_pair_plddt + chain_pair_plddt = torch.zeros(size=batch_shape + (N_chain, N_chain)).to( + atom_plddt.device + ) + for aid_1 in asym_id_to_asym_mask: + for aid_2 in asym_id_to_asym_mask: + if aid_1 == aid_2: + continue + pair_mask = asym_id_to_asym_mask[aid_1] + asym_id_to_asym_mask[aid_2] + chain_pair_plddt[:, aid_1, aid_2] = _calculate_lddt_with_token_mask( + token_mask=pair_mask + ) + + return {"chain_plddt": chain_plddt, "chain_pair_plddt": chain_pair_plddt} + + +def calculate_iptm( + pae_prob: torch.Tensor, + has_frame: torch.BoolTensor, + asym_id: torch.LongTensor, + min_bin: float, + max_bin: float, + no_bins: int, + token_mask: Optional[torch.BoolTensor] = None, + eps: float = 1e-8, +): + """ + Compute ipTM score. + + Args: + pae_prob (torch.Tensor): Predicted probability from PAE loss head. + Shape: [..., N_token, N_token, N_bins] + has_frame (torch.BoolTensor): Indicator for tokens having a frame. + Shape: [N_token, ] + asym_id (torch.LongTensor): Asymmetric ID for tokens. + Shape: [N_token, ] + min_bin (float): Minimum bin value. + max_bin (float): Maximum bin value. + no_bins (int): Number of bins. + token_mask (Optional[torch.BoolTensor]): Mask for tokens. + Shape: [N_token, ] or None + eps (float): Small value to avoid division by zero. Defaults to 1e-8. + + Returns: + torch.Tensor: ipTM score. Higher values indicate better ranking. + Shape: [...] + """ + has_frame = has_frame.bool() + if token_mask is not None: + token_mask = token_mask.bool() + pae_prob = pae_prob[..., token_mask, :, :][ + ..., :, token_mask, : + ] # [..., N_d, N_d, N_bins] + has_frame = has_frame[token_mask] # [N_d, ] + asym_id = asym_id[token_mask] # [N_d, ] + + if has_frame.sum() == 0: + return torch.zeros(size=pae_prob.shape[:-3], device=pae_prob.device) + + N_d = has_frame.shape[-1] + ptm_norm = calculate_normalization(N_d) + + bin_center = get_bin_centers(min_bin, max_bin, no_bins) + per_bin_weight = (1 / (1 + (bin_center / ptm_norm) ** 2)).to( + pae_prob.device + ) # [N_bins] + + token_token_ptm = (pae_prob * per_bin_weight).sum(dim=-1) # [..., N_d, N_d] + + is_diff_chain = asym_id[None, :] != asym_id[:, None] # [N_d, N_d] + + iptm = (token_token_ptm * is_diff_chain).sum(dim=-1) / ( + eps + is_diff_chain.sum(dim=-1) + ) # [..., N_d] + iptm = iptm[..., has_frame].max(dim=-1).values + + return iptm + + +def break_down_to_per_sample_dict(input_dict: dict, shared_keys=[]) -> list[dict]: + """ + Break down a dictionary containing tensors into a list of dictionaries, each corresponding to a sample. + + Args: + input_dict (dict): Dictionary containing tensors. + shared_keys (list): List of keys that are shared across all samples. Defaults to an empty list. + + Returns: + list[dict]: List of dictionaries, each containing data for a single sample. + """ + per_sample_keys = [key for key in input_dict if key not in shared_keys] + assert len(per_sample_keys) > 0 + N_sample = input_dict[per_sample_keys[0]].size(0) + for key in per_sample_keys: + assert input_dict[key].size(0) == N_sample + + per_sample_dict_list = [] + for i in range(N_sample): + sample_dict = {key: input_dict[key][i] for key in per_sample_keys} + sample_dict.update({key: input_dict[key] for key in shared_keys}) + per_sample_dict_list.append(sample_dict) + + return per_sample_dict_list + + +@torch.no_grad() +def compute_full_data_and_summary( + configs, + pae_logits, + plddt_logits, + pde_logits, + contact_probs, + token_asym_id, + token_has_frame, + atom_coordinate, + atom_to_token_idx, + atom_is_polymer, + N_recycle, + return_full_data: bool = False, + interested_atom_mask=None, + mol_id=None, + elements_one_hot=None, +): + """Wrapper of `_compute_full_data_and_summary` by enumerating over N samples""" + + N_sample = pae_logits.size(0) + if contact_probs.dim() == 2: + # Convert to [N_sample, N_token, N_token] + contact_probs = contact_probs.unsqueeze(dim=0).expand(N_sample, -1, -1) + else: + assert contact_probs.dim() == 3 + assert ( + contact_probs.size(0) == plddt_logits.size(0) == pde_logits.size(0) == N_sample + ) + + summary_confidence = [] + full_data = [] + for i in range(N_sample): + summary_confidence_i, full_data_i = _compute_full_data_and_summary( + configs=configs, + pae_logits=pae_logits[i : i + 1], + plddt_logits=plddt_logits[i : i + 1], + pde_logits=pde_logits[i : i + 1], + contact_probs=contact_probs[i], + token_asym_id=token_asym_id, + token_has_frame=token_has_frame, + atom_coordinate=atom_coordinate[i : i + 1], + atom_to_token_idx=atom_to_token_idx, + atom_is_polymer=atom_is_polymer, + N_recycle=N_recycle, + interested_atom_mask=interested_atom_mask, + return_full_data=return_full_data, + mol_id=mol_id, + elements_one_hot=elements_one_hot, + ) + summary_confidence.extend(summary_confidence_i) + full_data.extend(full_data_i) + return summary_confidence, full_data diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..934bd39fb9254f4d6c18eaa290e1b4c449444f88 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/model/utils.py @@ -0,0 +1,472 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from typing import Optional, Union + +import numpy as np +import torch +import torch.nn as nn +from scipy.spatial.transform import Rotation + +from protenix.utils.scatter_utils import scatter + + +def centre_random_augmentation( + x_input_coords: torch.Tensor, + N_sample: int = 1, + s_trans: float = 1.0, + centre_only: bool = False, + mask: torch.Tensor = None, + eps: float = 1e-12, +) -> torch.Tensor: + """Implements Algorithm 19 in AF3 + + Args: + x_input_coords (torch.Tensor): input coords + [..., N_atom, 3] + N_sample (int, optional): the total number of augmentation. Defaults to 1. + s_trans (float, optional): scale factor of trans. Defaults to 1.0. + centre_only (bool, optional): if set true, will only perform centering without applying random translation and rotation. + mask (torch.Tensor, optional): masking for the coords + [..., N_atom] + eps (float, optional): small number used for masked mean + Returns: + torch.Tensor: the Augmentation version of input coords + [..., N_sample, N_atom, 3] + """ + + N_atom = x_input_coords.size(-2) + device = x_input_coords.device + + # Move to origin [..., N_atom, 3] + if mask is None: + x_input_coords = x_input_coords - torch.mean( + input=x_input_coords, dim=-2, keepdim=True + ) + else: + center = (x_input_coords * mask.unsqueeze(dim=-1)).sum(dim=-2) / ( + mask.sum(dim=-1) + eps + ) + x_input_coords = x_input_coords - center.unsqueeze(dim=-2) + + # Expand to [..., N_sample, N_atom, 3] + x_input_coords = expand_at_dim(x_input_coords, dim=-3, n=N_sample) + + if centre_only: + return x_input_coords + + # N_augment = batch_size * N_sample + N_augment = torch.numel(x_input_coords[..., 0, 0]) + + # Generate N_augment (rot, trans) pairs + batch_size_shape = x_input_coords.shape[:-3] + rot_matrix_random = ( + uniform_random_rotation(N_sample=N_augment) + .to(device) + .reshape(*batch_size_shape, N_sample, 3, 3) + ).detach() # [..., N_sample, 3, 3] + trans_random = s_trans * torch.randn(size=(*batch_size_shape, N_sample, 3)).to( + device + ) # [..., N_sample, 3] + x_augment_coords = ( + rot_vec_mul( + r=expand_at_dim(rot_matrix_random, dim=-3, n=N_atom), t=x_input_coords + ) + + trans_random[..., None, :] + ) # [..., N_sample, N_atom, 3] + return x_augment_coords + + +# Comment: Rotation.random is not supported by torch.compile() +def uniform_random_rotation(N_sample: int = 1) -> torch.Tensor: + """Generate random rotation matrices with scipy.spatial.transform.Rotation + + Args: + N_sample (int, optional): the total number of augmentation. Defaults to 1. + + Returns: + torch.Tensor: N_sample rot matrics + [N_sample, 3, 3] + """ + rotation = Rotation.random(num=N_sample) + rot_matrix = torch.from_numpy(rotation.as_matrix()).float() # [N_sample, 3, 3] + return rot_matrix + + +# this is from openfold.utils.rigid_utils import rot_vec_mul +def rot_vec_mul(r: torch.Tensor, t: torch.Tensor) -> torch.Tensor: + """Apply rot matrix to vector + Applies a rotation to a vector. Written out by hand to avoid transfer + to avoid AMP downcasting. + + Args: + r (torch.Tensor): the rotation matrices + [..., 3, 3] + t (torch.Tensor): the coordinate tensors + [..., 3] + + Returns: + torch.Tensor: the rotated coordinates + """ + x, y, z = torch.unbind(input=t, dim=-1) + return torch.stack( + tensors=[ + r[..., 0, 0] * x + r[..., 0, 1] * y + r[..., 0, 2] * z, + r[..., 1, 0] * x + r[..., 1, 1] * y + r[..., 1, 2] * z, + r[..., 2, 0] * x + r[..., 2, 1] * y + r[..., 2, 2] * z, + ], + dim=-1, + ) + + +# from openfold.utils.tensor_utils.permute_final_dims +# from openfold.utils.tensor_utils.flatten_final_dims +def permute_final_dims(tensor: torch.Tensor, inds: list[int]) -> torch.Tensor: + """Permute final dims of tensor + + Args: + tensor (torch.Tensor): the input tensor + [...] + inds (List[int]): the dim to permute + + Returns: + torch.Tensor: the permuted tensor + """ + zero_index = -1 * len(inds) + first_inds = list(range(len(tensor.shape[:zero_index]))) + return tensor.permute(first_inds + [zero_index + i for i in inds]) + + +def flatten_final_dims(t: torch.Tensor, num_dims: int) -> torch.Tensor: + """Flatten final dims of tensor + + Args: + t (torch.Tensor): the input tensor + [...] + num_dims (int): the number of final dims to flatten + + Returns: + torch.Tensor: the flattened tensor + """ + return t.reshape(shape=t.shape[:-num_dims] + (-1,)) + + +def one_hot( + x: torch.Tensor, lower_bins: torch.Tensor, upper_bins: torch.Tensor +) -> torch.Tensor: + """Get one hot embedding of x from lower_bins and upper_bins + Args: + x (torch.Tensor): the input x + [...] + lower_bins (torch.Tensor): the lower bounds of bins + [bins] + upper_bins (torch.Tensor): the upper bounds of bins + [bins] + Returns: + torch.Tensor: the one hot embedding of x from v_bins + [..., bins] + """ + dgram = (x[..., None] > lower_bins) * (x[..., None] < upper_bins).float() + return dgram + + +# this is mostly from openfold.utils.torch_utils import batched_gather +def batched_gather( + data: torch.Tensor, inds: torch.Tensor, dim: int = 0, no_batch_dims: int = 0 +) -> torch.Tensor: + """Gather data according to indices specify by inds + + Args: + data (torch.Tensor): the input data + [..., K, ...] + inds (torch.Tensor): the indices for gathering data + [..., N] + dim (int, optional): along which dimension to gather data by inds (the dim of "K" "N"). Defaults to 0. + no_batch_dims (int, optional): length of dimensions before the "dim" dimension. Defaults to 0. + + Returns: + torch.Tensor: gathered data + [..., N, ...] + """ + + # for the naive case + if len(inds.shape) == 1 and no_batch_dims == 0 and dim == 0: + return data[inds] + + ranges = [] + for i, s in enumerate(data.shape[:no_batch_dims]): + r = torch.arange(s) + r = r.view(*(*((1,) * i), -1, *((1,) * (len(inds.shape) - i - 1)))) + ranges.append(r) + + remaining_dims = [slice(None) for _ in range(len(data.shape) - no_batch_dims)] + remaining_dims[dim - no_batch_dims if dim >= 0 else dim] = inds + ranges.extend(remaining_dims) + return data[ranges] + + +def broadcast_token_to_atom( + x_token: torch.Tensor, atom_to_token_idx: torch.Tensor +) -> torch.Tensor: + """Broadcast token-level embeddings to atom-level embeddings + + Args: + x_token (torch.Tensor): token embedding + [..., N_token, d] + atom_to_token_idx (torch.Tensor): map atom idx to token idx + [..., N_atom] or [N_atom] + + Returns: + torch.Tensor: atom embedding + [..., N_atom, d] + """ + + if len(atom_to_token_idx.shape) == 1: + # shape = [N_atom], easy index + return x_token[..., atom_to_token_idx, :] + else: + assert atom_to_token_idx.shape[:-1] == x_token.shape[:-2] + + return batched_gather( + data=x_token, + inds=atom_to_token_idx, + dim=-2, + no_batch_dims=len(x_token.shape[:-2]), + ) + + +def aggregate_atom_to_token( + x_atom: torch.Tensor, + atom_to_token_idx: torch.Tensor, + n_token: Optional[int] = None, + reduce: str = "mean", +) -> torch.Tensor: + """Aggregate atom embedding to obtain token embedding + + Args: + x_atom (torch.Tensor): atom-level embedding + [..., N_atom, d] + atom_to_token_idx (torch.Tensor): map atom to token idx + [..., N_atom] or [N_atom] + n_token (int, optional): number of tokens in total. Defaults to None. + reduce (str, optional): aggregation method. Defaults to "mean". + + Returns: + torch.Tensor: token-level embedding + [..., N_token, d] + """ + + # Broadcasting in the given dim. + out = scatter( + src=x_atom, index=atom_to_token_idx, dim=-2, dim_size=n_token, reduce=reduce + ) + + return out + + +def sample_indices( + n: int, + device: torch.device = torch.device("cpu"), + lower_bound=1, + strategy: str = "random", +) -> torch.Tensor: + """Sample msa indices k from uniform[1,n] + + Args: + n (int): the msa num + strategy (str): the strategy to sample msa index, random or topk + + Returns: + torch.Tensor: the sampled indices k + """ + assert strategy in ["random", "topk"] + sample_size = torch.randint(low=min(lower_bound, n), high=n + 1, size=(1,)).item() + if strategy == "random": + indices = torch.randperm(n=n, device=device)[:sample_size] + if strategy == "topk": + indices = torch.arange(sample_size, device=device) + return indices + + +def sample_msa_feature_dict_random_without_replacement( + feat_dict: dict[str, torch.Tensor], + dim_dict: dict[str, int], + cutoff: int = 512, + lower_bound: int = 1, + strategy: str = "random", +) -> dict[str, torch.Tensor]: + """Sample a dict of MSA features randomly without replacement. + + Args: + feat_dict (dict[str, torch.Tensor]): A dict containing the MSA features. + dim_dict (dict[str, int]): A dict containing the dimensions of the MSA features. + cutoff (int): The maximum number of features to sample. + lower_bound (int): The minimum number of features to sample. + strategy (str): The sampling strategy to use. Can be either "random" or "sequential". + + Returns: + dict[str, torch.Tensor]: A dict containing the sampled MSA features. + """ + msa_len = feat_dict["msa"].size(dim=dim_dict["msa"]) + indices = sample_indices( + n=msa_len, + device=feat_dict["msa"].device, + lower_bound=lower_bound, + strategy=strategy, + ) + if cutoff > 0: + indices = indices[:cutoff] + + msa_feat_dict = { + feat_name: torch.index_select( + input=feat_dict[feat_name], dim=dim, index=indices + ) + for feat_name, dim in dim_dict.items() + } + return msa_feat_dict + + +def expand_at_dim(x: torch.Tensor, dim: int, n: int) -> torch.Tensor: + """expand a tensor at specific dim by n times + + Args: + x (torch.Tensor): input + dim (int): dimension to expand + n (int): expand size + + Returns: + torch.Tensor: expanded tensor of shape [..., n, ...] + """ + x = x.unsqueeze(dim=dim) + if dim < 0: + dim = x.dim() + dim + before_shape = x.shape[:dim] + after_shape = x.shape[dim + 1 :] + return x.expand(*before_shape, n, *after_shape) + + +def pad_at_dim( + x: torch.Tensor, + dim: int, + pad_length: Union[tuple[int], list[int]], + value: float = 0, +) -> torch.Tensor: + """pad to input x at dimension dim with length pad_length[0] to the left and and pad_length[1] to the right. + + Args: + x (torch.Tensor): input + dim (int): padding dimension + pad_length (Union[Tuple[int], List[int]]): length to pad to the beginning and end. + + Returns: + torch.Tensor: padded tensor + """ + n_dim = len(x.shape) + if dim < 0: + dim = n_dim + dim + + pad = (pad_length[0], pad_length[1]) + if pad == (0, 0): + return x + k = n_dim - (dim + 1) + if k > 0: + pad_skip = (0, 0) * k + pad = (*pad_skip, *pad) + return nn.functional.pad(x, pad=pad, value=value) + + +def reshape_at_dim( + x: torch.Tensor, dim: int, target_shape: Union[tuple[int], list[int]] +) -> torch.Tensor: + """reshape dimension dim of x to target_shape + + Args: + x (torch.Tensor): input + dim (int): dimension to reshape + target_shape (Union[Tuple[int], List[int]]): target_shape of dim + + Returns: + torch.Tensor: reshaped tensor + """ + n_dim = len(x.shape) + if dim < 0: + dim = n_dim + dim + + target_shape = tuple(target_shape) + target_shape = (*x.shape[:dim], *target_shape) + if dim + 1 < n_dim: + target_shape = (*target_shape, *x.shape[dim + 1 :]) + return x.reshape(target_shape) + + +def move_final_dim_to_dim(x: torch.Tensor, dim: int) -> torch.Tensor: + """ + Move the final dimension of a tensor to a specified dimension. + + Args: + x (torch.Tensor): Input tensor. + dim (int): Target dimension to move the final dimension to. + + Returns: + torch.Tensor: Tensor with the final dimension moved to the specified dimension. + """ + # permute_final_dims + n_dim = len(x.shape) + if dim < 0: + dim = n_dim + dim + if dim >= n_dim - 1: + return x + + new_order = (n_dim - 1,) + if dim > 0: + new_order = tuple(range(dim)) + new_order + if dim < n_dim - 1: + new_order = new_order + tuple(range(dim, n_dim - 1)) + + return x.permute(new_order) + + +def simple_merge_dict_list(dict_list: list[dict]) -> dict: + """ + Merge a list of dictionaries into a single dictionary. + + Args: + dict_list (list[dict]): List of dictionaries to merge. + + Returns: + dict: Merged dictionary where values are concatenated arrays. + """ + merged_dict = {} + + def add(key, value): + merged_dict.setdefault(key, []) + if isinstance(value, (float, int)): + value = np.array([value]) + elif isinstance(value, torch.Tensor): + if value.dim() == 0: + value = np.array([value.item()]) + else: + value = value.detach().cpu().numpy() + elif isinstance(value, np.ndarray): + pass + else: + raise ValueError(f"Unsupported type for metric data: {type(value)}") + merged_dict[key].append(value) + + for x in dict_list: + for k, v in x.items(): + add(k, v) + for k, v in merged_dict.items(): + merged_dict[k] = np.concatenate(v) + return merged_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/README.md b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/README.md new file mode 100644 index 0000000000000000000000000000000000000000..06595396fb8e386ed8ff863adb528566eb235446 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/README.md @@ -0,0 +1,23 @@ +## openfold_local + +This is copy from [openfold](https://github.com/aqlaboratory/openfold), commit id: [bb3f51](https://github.com/aqlaboratory/openfold/commit/bb3f51e5a2cf2d5e3b709fe8f7d7a083c870222e) + +Openfold is a great work. We try to reuse it when building models. However, A few modifications has been made for our protenix project. + + * In [protenix/openfold_local/model/primitives.py](model/primitives.py), we add a custom [`Layernorm`](../model/layer_norm/) implementation, it accelerate protenix about 30%-50% during different training stages + +If you use our work, please also cite Openfold: + +```bibtex +@article {Ahdritz2022.11.20.517210, + author = {Ahdritz, Gustaf and Bouatta, Nazim and Floristean, Christina and Kadyan, Sachin and Xia, Qinghui and Gerecke, William and O{\textquoteright}Donnell, Timothy J and Berenberg, Daniel and Fisk, Ian and Zanichelli, Niccolò and Zhang, Bo and Nowaczynski, Arkadiusz and Wang, Bei and Stepniewska-Dziubinska, Marta M and Zhang, Shang and Ojewole, Adegoke and Guney, Murat Efe and Biderman, Stella and Watkins, Andrew M and Ra, Stephen and Lorenzo, Pablo Ribalta and Nivon, Lucas and Weitzner, Brian and Ban, Yih-En Andrew and Sorger, Peter K and Mostaque, Emad and Zhang, Zhao and Bonneau, Richard and AlQuraishi, Mohammed}, + title = {{O}pen{F}old: {R}etraining {A}lpha{F}old2 yields new insights into its learning mechanisms and capacity for generalization}, + elocation-id = {2022.11.20.517210}, + year = {2022}, + doi = {10.1101/2022.11.20.517210}, + publisher = {Cold Spring Harbor Laboratory}, + URL = {https://www.biorxiv.org/content/10.1101/2022.11.20.517210}, + eprint = {https://www.biorxiv.org/content/early/2022/11/22/2022.11.20.517210.full.pdf}, + journal = {bioRxiv} +} +``` \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..a52a929efd9a776993e214ed66ae06f0e4af3095 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/__init__.py @@ -0,0 +1,3 @@ +from . import data, model, np, utils + +__all__ = ["model", "utils", "np", "data"] diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/data_transforms.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/data_transforms.py new file mode 100644 index 0000000000000000000000000000000000000000..c586645ec8f4418ecb8b6b8b4dac13fec1c8e835 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/data_transforms.py @@ -0,0 +1,221 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + + +import numpy as np +import torch +from protenix.openfold_local.np import residue_constants as rc +from protenix.openfold_local.utils.tensor_utils import batched_gather, tensor_tree_map, tree_map + +MSA_FEATURE_NAMES = [ + "msa", + "deletion_matrix", + "msa_mask", + "msa_row_mask", + "bert_mask", + "true_msa", +] + + +def pseudo_beta_fn(aatype, all_atom_positions, all_atom_mask): + """Create pseudo beta features.""" + is_gly = torch.eq(aatype, rc.restype_order["G"]) + ca_idx = rc.atom_order["CA"] + cb_idx = rc.atom_order["CB"] + pseudo_beta = torch.where( + torch.tile(is_gly[..., None], [1] * len(is_gly.shape) + [3]), + all_atom_positions[..., ca_idx, :], + all_atom_positions[..., cb_idx, :], + ) + + if all_atom_mask is not None: + pseudo_beta_mask = torch.where( + is_gly, all_atom_mask[..., ca_idx], all_atom_mask[..., cb_idx] + ) + return pseudo_beta, pseudo_beta_mask + else: + return pseudo_beta + + +def make_atom14_masks(protein): + """Construct denser atom positions (14 dimensions instead of 37).""" + restype_atom14_to_atom37 = [] + restype_atom37_to_atom14 = [] + restype_atom14_mask = [] + + for rt in rc.restypes: + atom_names = rc.restype_name_to_atom14_names[rc.restype_1to3[rt]] + restype_atom14_to_atom37.append( + [(rc.atom_order[name] if name else 0) for name in atom_names] + ) + atom_name_to_idx14 = {name: i for i, name in enumerate(atom_names)} + restype_atom37_to_atom14.append( + [ + (atom_name_to_idx14[name] if name in atom_name_to_idx14 else 0) + for name in rc.atom_types + ] + ) + + restype_atom14_mask.append([(1.0 if name else 0.0) for name in atom_names]) + + # Add dummy mapping for restype 'UNK' + restype_atom14_to_atom37.append([0] * 14) + restype_atom37_to_atom14.append([0] * 37) + restype_atom14_mask.append([0.0] * 14) + + restype_atom14_to_atom37 = torch.tensor( + restype_atom14_to_atom37, + dtype=torch.int32, + device=protein["aatype"].device, + ) + restype_atom37_to_atom14 = torch.tensor( + restype_atom37_to_atom14, + dtype=torch.int32, + device=protein["aatype"].device, + ) + restype_atom14_mask = torch.tensor( + restype_atom14_mask, + dtype=torch.float32, + device=protein["aatype"].device, + ) + protein_aatype = protein["aatype"].to(torch.long) + + # create the mapping for (residx, atom14) --> atom37, i.e. an array + # with shape (num_res, 14) containing the atom37 indices for this protein + residx_atom14_to_atom37 = restype_atom14_to_atom37[protein_aatype] + residx_atom14_mask = restype_atom14_mask[protein_aatype] + + protein["atom14_atom_exists"] = residx_atom14_mask + protein["residx_atom14_to_atom37"] = residx_atom14_to_atom37.long() + + # create the gather indices for mapping back + residx_atom37_to_atom14 = restype_atom37_to_atom14[protein_aatype] + protein["residx_atom37_to_atom14"] = residx_atom37_to_atom14.long() + + # create the corresponding mask + restype_atom37_mask = torch.zeros( + [21, 37], dtype=torch.float32, device=protein["aatype"].device + ) + for restype, restype_letter in enumerate(rc.restypes): + restype_name = rc.restype_1to3[restype_letter] + atom_names = rc.residue_atoms[restype_name] + for atom_name in atom_names: + atom_type = rc.atom_order[atom_name] + restype_atom37_mask[restype, atom_type] = 1 + + residx_atom37_mask = restype_atom37_mask[protein_aatype] + protein["atom37_atom_exists"] = residx_atom37_mask + + return protein + + +def make_atom14_masks_np(batch): + batch = tree_map(lambda n: torch.tensor(n, device="cpu"), batch, np.ndarray) + out = make_atom14_masks(batch) + out = tensor_tree_map(lambda t: np.array(t), out) + return out + + +def make_atom14_positions(protein): + """Constructs denser atom positions (14 dimensions instead of 37).""" + residx_atom14_mask = protein["atom14_atom_exists"] + residx_atom14_to_atom37 = protein["residx_atom14_to_atom37"] + + # Create a mask for known ground truth positions. + residx_atom14_gt_mask = residx_atom14_mask * batched_gather( + protein["all_atom_mask"], + residx_atom14_to_atom37, + dim=-1, + no_batch_dims=len(protein["all_atom_mask"].shape[:-1]), + ) + + # Gather the ground truth positions. + residx_atom14_gt_positions = residx_atom14_gt_mask[..., None] * ( + batched_gather( + protein["all_atom_positions"], + residx_atom14_to_atom37, + dim=-2, + no_batch_dims=len(protein["all_atom_positions"].shape[:-2]), + ) + ) + + protein["atom14_atom_exists"] = residx_atom14_mask + protein["atom14_gt_exists"] = residx_atom14_gt_mask + protein["atom14_gt_positions"] = residx_atom14_gt_positions + + # As the atom naming is ambiguous for 7 of the 20 amino acids, provide + # alternative ground truth coordinates where the naming is swapped + restype_3 = [rc.restype_1to3[res] for res in rc.restypes] + restype_3 += ["UNK"] + + # Matrices for renaming ambiguous atoms. + all_matrices = { + res: torch.eye( + 14, + dtype=protein["all_atom_mask"].dtype, + device=protein["all_atom_mask"].device, + ) + for res in restype_3 + } + for resname, swap in rc.residue_atom_renaming_swaps.items(): + correspondences = torch.arange(14, device=protein["all_atom_mask"].device) + for source_atom_swap, target_atom_swap in swap.items(): + source_index = rc.restype_name_to_atom14_names[resname].index( + source_atom_swap + ) + target_index = rc.restype_name_to_atom14_names[resname].index( + target_atom_swap + ) + correspondences[source_index] = target_index + correspondences[target_index] = source_index + renaming_matrix = protein["all_atom_mask"].new_zeros((14, 14)) + for index, correspondence in enumerate(correspondences): + renaming_matrix[index, correspondence] = 1.0 + all_matrices[resname] = renaming_matrix + + renaming_matrices = torch.stack([all_matrices[restype] for restype in restype_3]) + + # Pick the transformation matrices for the given residue sequence + # shape (num_res, 14, 14). + renaming_transform = renaming_matrices[protein["aatype"]] + + # Apply it to the ground truth positions. shape (num_res, 14, 3). + alternative_gt_positions = torch.einsum( + "...rac,...rab->...rbc", residx_atom14_gt_positions, renaming_transform + ) + protein["atom14_alt_gt_positions"] = alternative_gt_positions + + # Create the mask for the alternative ground truth (differs from the + # ground truth mask, if only one of the atoms in an ambiguous pair has a + # ground truth position). + alternative_gt_mask = torch.einsum( + "...ra,...rab->...rb", residx_atom14_gt_mask, renaming_transform + ) + protein["atom14_alt_gt_exists"] = alternative_gt_mask + + # Create an ambiguous atoms mask. shape: (21, 14). + restype_atom14_is_ambiguous = protein["all_atom_mask"].new_zeros((21, 14)) + for resname, swap in rc.residue_atom_renaming_swaps.items(): + for atom_name1, atom_name2 in swap.items(): + restype = rc.restype_order[rc.restype_3to1[resname]] + atom_idx1 = rc.restype_name_to_atom14_names[resname].index(atom_name1) + atom_idx2 = rc.restype_name_to_atom14_names[resname].index(atom_name2) + restype_atom14_is_ambiguous[restype, atom_idx1] = 1 + restype_atom14_is_ambiguous[restype, atom_idx2] = 1 + + # From this create an ambiguous_mask for the given sequence. + protein["atom14_atom_is_ambiguous"] = restype_atom14_is_ambiguous[protein["aatype"]] + + return protein diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/errors.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/errors.py new file mode 100644 index 0000000000000000000000000000000000000000..759149f97ea0d0cbbdb9411db93a9150ed15fae1 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/errors.py @@ -0,0 +1,24 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""General-purpose errors used throughout the data pipeline""" + + +class Error(Exception): + """Base class for exceptions.""" + + +class MultipleChainsError(Error): + """An error indicating that multiple chains were found for a given ID.""" diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/mmcif_parsing.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/mmcif_parsing.py new file mode 100644 index 0000000000000000000000000000000000000000..2f0ba4e8d7e81ec81499cd2cfef5e00964058d17 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/mmcif_parsing.py @@ -0,0 +1,494 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Parses the mmCIF file format.""" +import collections +import dataclasses +import functools +import io +import json +import logging +import os +from typing import Any, Mapping, Optional, Sequence, Tuple + +import numpy as np +from Bio import PDB +from Bio.Data import SCOPData + +import protenix.openfold_local.np.residue_constants as residue_constants +from protenix.openfold_local.data.errors import MultipleChainsError + +# Type aliases: +ChainId = str +PdbHeader = Mapping[str, Any] +PdbStructure = PDB.Structure.Structure +SeqRes = str +MmCIFDict = Mapping[str, Sequence[str]] + + +@dataclasses.dataclass(frozen=True) +class Monomer: + id: str + num: int + + +# Note - mmCIF format provides no guarantees on the type of author-assigned +# sequence numbers. They need not be integers. +@dataclasses.dataclass(frozen=True) +class AtomSite: + residue_name: str + author_chain_id: str + mmcif_chain_id: str + author_seq_num: str + mmcif_seq_num: int + insertion_code: str + hetatm_atom: str + model_num: int + + +# Used to map SEQRES index to a residue in the structure. +@dataclasses.dataclass(frozen=True) +class ResiduePosition: + chain_id: str + residue_number: int + insertion_code: str + + +@dataclasses.dataclass(frozen=True) +class ResidueAtPosition: + position: Optional[ResiduePosition] + name: str + is_missing: bool + hetflag: str + + +@dataclasses.dataclass(frozen=True) +class MmcifObject: + """Representation of a parsed mmCIF file. + + Contains: + file_id: A meaningful name, e.g. a pdb_id. Should be unique amongst all + files being processed. + header: Biopython header. + structure: Biopython structure. + chain_to_seqres: dict mapping chain_id to 1 letter amino acid sequence. E.g. + {'A': 'ABCDEFG'} + seqres_to_structure: dict; for each chain_id contains a mapping between + SEQRES index and a ResidueAtPosition. e.g. {'A': {0: ResidueAtPosition, + 1: ResidueAtPosition, + ...}} + raw_string: The raw string used to construct the MmcifObject. + """ + + file_id: str + header: PdbHeader + structure: PdbStructure + chain_to_seqres: Mapping[ChainId, SeqRes] + seqres_to_structure: Mapping[ChainId, Mapping[int, ResidueAtPosition]] + raw_string: Any + + +@dataclasses.dataclass(frozen=True) +class ParsingResult: + """Returned by the parse function. + + Contains: + mmcif_object: A MmcifObject, may be None if no chain could be successfully + parsed. + errors: A dict mapping (file_id, chain_id) to any exception generated. + """ + + mmcif_object: Optional[MmcifObject] + errors: Mapping[Tuple[str, str], Any] + + +class ParseError(Exception): + """An error indicating that an mmCIF file could not be parsed.""" + + +def mmcif_loop_to_list( + prefix: str, parsed_info: MmCIFDict +) -> Sequence[Mapping[str, str]]: + """Extracts loop associated with a prefix from mmCIF data as a list. + + Reference for loop_ in mmCIF: + http://mmcif.wwpdb.org/docs/tutorials/mechanics/pdbx-mmcif-syntax.html + + Args: + prefix: Prefix shared by each of the data items in the loop. + e.g. '_entity_poly_seq.', where the data items are _entity_poly_seq.num, + _entity_poly_seq.mon_id. Should include the trailing period. + parsed_info: A dict of parsed mmCIF data, e.g. _mmcif_dict from a Biopython + parser. + + Returns: + Returns a list of dicts; each dict represents 1 entry from an mmCIF loop. + """ + cols = [] + data = [] + for key, value in parsed_info.items(): + if key.startswith(prefix): + cols.append(key) + data.append(value) + + assert all([len(xs) == len(data[0]) for xs in data]), ( + "mmCIF error: Not all loops are the same length: %s" % cols + ) + + return [dict(zip(cols, xs)) for xs in zip(*data)] + + +def mmcif_loop_to_dict( + prefix: str, + index: str, + parsed_info: MmCIFDict, +) -> Mapping[str, Mapping[str, str]]: + """Extracts loop associated with a prefix from mmCIF data as a dictionary. + + Args: + prefix: Prefix shared by each of the data items in the loop. + e.g. '_entity_poly_seq.', where the data items are _entity_poly_seq.num, + _entity_poly_seq.mon_id. Should include the trailing period. + index: Which item of loop data should serve as the key. + parsed_info: A dict of parsed mmCIF data, e.g. _mmcif_dict from a Biopython + parser. + + Returns: + Returns a dict of dicts; each dict represents 1 entry from an mmCIF loop, + indexed by the index column. + """ + entries = mmcif_loop_to_list(prefix, parsed_info) + return {entry[index]: entry for entry in entries} + + +@functools.lru_cache(16, typed=False) +def parse( + *, file_id: str, mmcif_string: str, catch_all_errors: bool = True +) -> ParsingResult: + """Entry point, parses an mmcif_string. + + Args: + file_id: A string identifier for this file. Should be unique within the + collection of files being processed. + mmcif_string: Contents of an mmCIF file. + catch_all_errors: If True, all exceptions are caught and error messages are + returned as part of the ParsingResult. If False exceptions will be allowed + to propagate. + + Returns: + A ParsingResult. + """ + errors = {} + try: + parser = PDB.MMCIFParser(QUIET=True) + handle = io.StringIO(mmcif_string) + full_structure = parser.get_structure("", handle) + first_model_structure = _get_first_model(full_structure) + # Extract the _mmcif_dict from the parser, which contains useful fields not + # reflected in the Biopython structure. + parsed_info = parser._mmcif_dict # pylint:disable=protected-access + + # Ensure all values are lists, even if singletons. + for key, value in parsed_info.items(): + if not isinstance(value, list): + parsed_info[key] = [value] + + header = _get_header(parsed_info) + + # Determine the protein chains, and their start numbers according to the + # internal mmCIF numbering scheme (likely but not guaranteed to be 1). + valid_chains = _get_protein_chains(parsed_info=parsed_info) + if not valid_chains: + return ParsingResult( + None, {(file_id, ""): "No protein chains found in this file."} + ) + seq_start_num = { + chain_id: min([monomer.num for monomer in seq]) + for chain_id, seq in valid_chains.items() + } + + # Loop over the atoms for which we have coordinates. Populate two mappings: + # -mmcif_to_author_chain_id (maps internal mmCIF chain ids to chain ids used + # the authors / Biopython). + # -seq_to_structure_mappings (maps idx into sequence to ResidueAtPosition). + mmcif_to_author_chain_id = {} + seq_to_structure_mappings = {} + for atom in _get_atom_site_list(parsed_info): + if atom.model_num != "1": + # We only process the first model at the moment. + continue + + mmcif_to_author_chain_id[atom.mmcif_chain_id] = atom.author_chain_id + + if atom.mmcif_chain_id in valid_chains: + hetflag = " " + if atom.hetatm_atom == "HETATM": + # Water atoms are assigned a special hetflag of W in Biopython. We + # need to do the same, so that this hetflag can be used to fetch + # a residue from the Biopython structure by id. + if atom.residue_name in ("HOH", "WAT"): + hetflag = "W" + else: + hetflag = "H_" + atom.residue_name + insertion_code = atom.insertion_code + if not _is_set(atom.insertion_code): + insertion_code = " " + position = ResiduePosition( + chain_id=atom.author_chain_id, + residue_number=int(atom.author_seq_num), + insertion_code=insertion_code, + ) + seq_idx = int(atom.mmcif_seq_num) - seq_start_num[atom.mmcif_chain_id] + current = seq_to_structure_mappings.get(atom.author_chain_id, {}) + current[seq_idx] = ResidueAtPosition( + position=position, + name=atom.residue_name, + is_missing=False, + hetflag=hetflag, + ) + seq_to_structure_mappings[atom.author_chain_id] = current + + # Add missing residue information to seq_to_structure_mappings. + for chain_id, seq_info in valid_chains.items(): + author_chain = mmcif_to_author_chain_id[chain_id] + current_mapping = seq_to_structure_mappings[author_chain] + for idx, monomer in enumerate(seq_info): + if idx not in current_mapping: + current_mapping[idx] = ResidueAtPosition( + position=None, + name=monomer.id, + is_missing=True, + hetflag=" ", + ) + + author_chain_to_sequence = {} + for chain_id, seq_info in valid_chains.items(): + author_chain = mmcif_to_author_chain_id[chain_id] + seq = [] + for monomer in seq_info: + code = SCOPData.protein_letters_3to1.get(monomer.id, "X") + seq.append(code if len(code) == 1 else "X") + seq = "".join(seq) + author_chain_to_sequence[author_chain] = seq + + mmcif_object = MmcifObject( + file_id=file_id, + header=header, + structure=first_model_structure, + chain_to_seqres=author_chain_to_sequence, + seqres_to_structure=seq_to_structure_mappings, + raw_string=parsed_info, + ) + + return ParsingResult(mmcif_object=mmcif_object, errors=errors) + except Exception as e: # pylint:disable=broad-except + errors[(file_id, "")] = e + if not catch_all_errors: + raise + return ParsingResult(mmcif_object=None, errors=errors) + + +def _get_first_model(structure: PdbStructure) -> PdbStructure: + """Returns the first model in a Biopython structure.""" + return next(structure.get_models()) + + +_MIN_LENGTH_OF_CHAIN_TO_BE_COUNTED_AS_PEPTIDE = 21 + + +def get_release_date(parsed_info: MmCIFDict) -> str: + """Returns the oldest revision date.""" + revision_dates = parsed_info["_pdbx_audit_revision_history.revision_date"] + return min(revision_dates) + + +def _get_header(parsed_info: MmCIFDict) -> PdbHeader: + """Returns a basic header containing method, release date and resolution.""" + header = {} + + experiments = mmcif_loop_to_list("_exptl.", parsed_info) + header["structure_method"] = ",".join( + [experiment["_exptl.method"].lower() for experiment in experiments] + ) + + # Note: The release_date here corresponds to the oldest revision. We prefer to + # use this for dataset filtering over the deposition_date. + if "_pdbx_audit_revision_history.revision_date" in parsed_info: + header["release_date"] = get_release_date(parsed_info) + else: + logging.warning( + "Could not determine release_date: %s", parsed_info["_entry.id"] + ) + + header["resolution"] = 0.00 + for res_key in ( + "_refine.ls_d_res_high", + "_em_3d_reconstruction.resolution", + "_reflns.d_resolution_high", + ): + if res_key in parsed_info: + try: + raw_resolution = parsed_info[res_key][0] + header["resolution"] = float(raw_resolution) + except ValueError: + logging.debug("Invalid resolution format: %s", parsed_info[res_key]) + + return header + + +def _get_atom_site_list(parsed_info: MmCIFDict) -> Sequence[AtomSite]: + """Returns list of atom sites; contains data not present in the structure.""" + return [ + AtomSite(*site) + for site in zip( # pylint:disable=g-complex-comprehension + parsed_info["_atom_site.label_comp_id"], + parsed_info["_atom_site.auth_asym_id"], + parsed_info["_atom_site.label_asym_id"], + parsed_info["_atom_site.auth_seq_id"], + parsed_info["_atom_site.label_seq_id"], + parsed_info["_atom_site.pdbx_PDB_ins_code"], + parsed_info["_atom_site.group_PDB"], + parsed_info["_atom_site.pdbx_PDB_model_num"], + ) + ] + + +def _get_protein_chains( + *, parsed_info: Mapping[str, Any] +) -> Mapping[ChainId, Sequence[Monomer]]: + """Extracts polymer information for protein chains only. + + Args: + parsed_info: _mmcif_dict produced by the Biopython parser. + + Returns: + A dict mapping mmcif chain id to a list of Monomers. + """ + # Get polymer information for each entity in the structure. + entity_poly_seqs = mmcif_loop_to_list("_entity_poly_seq.", parsed_info) + + polymers = collections.defaultdict(list) + for entity_poly_seq in entity_poly_seqs: + polymers[entity_poly_seq["_entity_poly_seq.entity_id"]].append( + Monomer( + id=entity_poly_seq["_entity_poly_seq.mon_id"], + num=int(entity_poly_seq["_entity_poly_seq.num"]), + ) + ) + + # Get chemical compositions. Will allow us to identify which of these polymers + # are proteins. + chem_comps = mmcif_loop_to_dict("_chem_comp.", "_chem_comp.id", parsed_info) + + # Get chains information for each entity. Necessary so that we can return a + # dict keyed on chain id rather than entity. + struct_asyms = mmcif_loop_to_list("_struct_asym.", parsed_info) + + entity_to_mmcif_chains = collections.defaultdict(list) + for struct_asym in struct_asyms: + chain_id = struct_asym["_struct_asym.id"] + entity_id = struct_asym["_struct_asym.entity_id"] + entity_to_mmcif_chains[entity_id].append(chain_id) + + # Identify and return the valid protein chains. + valid_chains = {} + for entity_id, seq_info in polymers.items(): + chain_ids = entity_to_mmcif_chains[entity_id] + + # Reject polymers without any peptide-like components, such as DNA/RNA. + if any( + [ + "peptide" in chem_comps[monomer.id]["_chem_comp.type"] + for monomer in seq_info + ] + ): + for chain_id in chain_ids: + valid_chains[chain_id] = seq_info + return valid_chains + + +def _is_set(data: str) -> bool: + """Returns False if data is a special mmCIF character indicating 'unset'.""" + return data not in (".", "?") + + +def get_atom_coords( + mmcif_object: MmcifObject, chain_id: str, _zero_center_positions: bool = False +) -> Tuple[np.ndarray, np.ndarray]: + # Locate the right chain + chains = list(mmcif_object.structure.get_chains()) + relevant_chains = [c for c in chains if c.id == chain_id] + if len(relevant_chains) != 1: + raise MultipleChainsError( + f"Expected exactly one chain in structure with id {chain_id}." + ) + chain = relevant_chains[0] + + # Extract the coordinates + num_res = len(mmcif_object.chain_to_seqres[chain_id]) + all_atom_positions = np.zeros( + [num_res, residue_constants.atom_type_num, 3], dtype=np.float32 + ) + all_atom_mask = np.zeros( + [num_res, residue_constants.atom_type_num], dtype=np.float32 + ) + for res_index in range(num_res): + pos = np.zeros([residue_constants.atom_type_num, 3], dtype=np.float32) + mask = np.zeros([residue_constants.atom_type_num], dtype=np.float32) + res_at_position = mmcif_object.seqres_to_structure[chain_id][res_index] + if not res_at_position.is_missing: + res = chain[ + ( + res_at_position.hetflag, + res_at_position.position.residue_number, + res_at_position.position.insertion_code, + ) + ] + for atom in res.get_atoms(): + atom_name = atom.get_name() + x, y, z = atom.get_coord() + if atom_name in residue_constants.atom_order.keys(): + pos[residue_constants.atom_order[atom_name]] = [x, y, z] + mask[residue_constants.atom_order[atom_name]] = 1.0 + elif atom_name.upper() == "SE" and res.get_resname() == "MSE": + # Put the coords of the selenium atom in the sulphur column + pos[residue_constants.atom_order["SD"]] = [x, y, z] + mask[residue_constants.atom_order["SD"]] = 1.0 + + # Fix naming errors in arginine residues where NH2 is incorrectly + # assigned to be closer to CD than NH1 + cd = residue_constants.atom_order["CD"] + nh1 = residue_constants.atom_order["NH1"] + nh2 = residue_constants.atom_order["NH2"] + if ( + res.get_resname() == "ARG" + and all(mask[atom_index] for atom_index in (cd, nh1, nh2)) + and ( + np.linalg.norm(pos[nh1] - pos[cd]) + > np.linalg.norm(pos[nh2] - pos[cd]) + ) + ): + pos[nh1], pos[nh2] = pos[nh2].copy(), pos[nh1].copy() + mask[nh1], mask[nh2] = mask[nh2].copy(), mask[nh1].copy() + + all_atom_positions[res_index] = pos + all_atom_mask[res_index] = mask + + if _zero_center_positions: + binary_mask = all_atom_mask.astype(bool) + translation_vec = all_atom_positions[binary_mask].mean(axis=0) + all_atom_positions[binary_mask] -= translation_vec + + return all_atom_positions, all_atom_mask diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/msa_identifiers.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/msa_identifiers.py new file mode 100644 index 0000000000000000000000000000000000000000..894de2de69292725d5e7e4c7a9543456bfa2f899 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/msa_identifiers.py @@ -0,0 +1,81 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Utilities for extracting identifiers from MSA sequence descriptions.""" + +import dataclasses +import re +from typing import Optional + + +# Sequences coming from UniProtKB database come in the +# `db|UniqueIdentifier|EntryName` format, e.g. `tr|A0A146SKV9|A0A146SKV9_FUNHE` +# or `sp|P0C2L1|A3X1_LOXLA` (for TREMBL/Swiss-Prot respectively). +_UNIPROT_PATTERN = re.compile( + r""" + ^ + # UniProtKB/TrEMBL or UniProtKB/Swiss-Prot + (?:tr|sp) + \| + # A primary accession number of the UniProtKB entry. + (?P[A-Za-z0-9]{6,10}) + # Occasionally there is a _0 or _1 isoform suffix, which we ignore. + (?:_\d)? + \| + # TREMBL repeats the accession ID here. Swiss-Prot has a mnemonic + # protein ID code. + (?:[A-Za-z0-9]+) + _ + # A mnemonic species identification code. + (?P([A-Za-z0-9]){1,5}) + # Small BFD uses a final value after an underscore, which we ignore. + (?:_\d+)? + $ + """, + re.VERBOSE, +) + + +@dataclasses.dataclass(frozen=True) +class Identifiers: + species_id: str = "" + + +def _parse_sequence_identifier(msa_sequence_identifier: str) -> Identifiers: + """Gets accession id and species from an msa sequence identifier. + + The sequence identifier has the format specified by + _UNIPROT_TREMBL_ENTRY_NAME_PATTERN or _UNIPROT_SWISSPROT_ENTRY_NAME_PATTERN. + An example of a sequence identifier: `tr|A0A146SKV9|A0A146SKV9_FUNHE` + + Args: + msa_sequence_identifier: a sequence identifier. + + Returns: + An `Identifiers` instance with a uniprot_accession_id and species_id. These + can be empty in the case where no identifier was found. + """ + matches = re.search(_UNIPROT_PATTERN, msa_sequence_identifier.strip()) + if matches: + return Identifiers(species_id=matches.group("SpeciesIdentifier")) + return Identifiers() + + +def _extract_sequence_identifier(description: str) -> Optional[str]: + """Extracts sequence identifier from description. Returns None if no match.""" + split_description = description.split() + if split_description: + return split_description[0].partition("/")[0] + else: + return None diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/msa_pairing.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/msa_pairing.py new file mode 100644 index 0000000000000000000000000000000000000000..2dc6670d30e8c952dace0d571c8a0d7c3cfc7750 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/msa_pairing.py @@ -0,0 +1,502 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Pairing logic for multimer data pipeline.""" + +import collections +from typing import Any, Dict, Iterable, List, Mapping, Sequence + +import numpy as np +import pandas as pd +import scipy.linalg + +from protenix.openfold_local.np import residue_constants + +MSA_GAP_IDX = residue_constants.restypes_with_x_and_gap.index("-") +SEQUENCE_GAP_CUTOFF = 0.5 +SEQUENCE_SIMILARITY_CUTOFF = 0.9 + +MSA_PAD_VALUES = { + "msa_all_seq": MSA_GAP_IDX, + "msa_mask_all_seq": 1, + "deletion_matrix_all_seq": 0, + "deletion_matrix_int_all_seq": 0, + "msa": MSA_GAP_IDX, + "msa_mask": 1, + "deletion_matrix": 0, + "deletion_matrix_int": 0, +} + +MSA_FEATURES = ("msa", "msa_mask", "deletion_matrix", "deletion_matrix_int") +SEQ_FEATURES = ( + "residue_index", + "aatype", + "all_atom_positions", + "all_atom_mask", + "seq_mask", + "between_segment_residues", + "has_alt_locations", + "has_hetatoms", + "asym_id", + "entity_id", + "sym_id", + "entity_mask", + "deletion_mean", + "prediction_atom_mask", + "literature_positions", + "atom_indices_to_group_indices", + "rigid_group_default_frame", +) +TEMPLATE_FEATURES = ( + "template_aatype", + "template_all_atom_positions", + "template_all_atom_mask", +) +CHAIN_FEATURES = ("num_alignments", "seq_length") + + +def create_paired_features( + chains: Iterable[Mapping[str, np.ndarray]], +) -> list[Mapping[str, np.ndarray]]: + """Returns the original chains with paired NUM_SEQ features. + + Args: + chains: A list of feature dictionaries for each chain. + + Returns: + A list of feature dictionaries with sequence features including only + rows to be paired. + """ + chains = list(chains) + chain_keys = chains[0].keys() + + if len(chains) < 2: + return chains + else: + updated_chains = [] + paired_chains_to_paired_row_indices = pair_sequences(chains) + paired_rows = reorder_paired_rows(paired_chains_to_paired_row_indices) + + for chain_num, chain in enumerate(chains): + new_chain = {k: v for k, v in chain.items() if "_all_seq" not in k} + for feature_name in chain_keys: + if feature_name.endswith("_all_seq"): + feats_padded = pad_features(chain[feature_name], feature_name) + new_chain[feature_name] = feats_padded[paired_rows[:, chain_num]] + new_chain["num_alignments_all_seq"] = np.asarray( + len(paired_rows[:, chain_num]) + ) + updated_chains.append(new_chain) + return updated_chains + + +def pad_features(feature: np.ndarray, feature_name: str) -> np.ndarray: + """Add a 'padding' row at the end of the features list. + + The padding row will be selected as a 'paired' row in the case of partial + alignment - for the chain that doesn't have paired alignment. + + Args: + feature: The feature to be padded. + feature_name: The name of the feature to be padded. + + Returns: + The feature with an additional padding row. + """ + assert feature.dtype != np.dtype(np.string_) + if feature_name in ( + "msa_all_seq", + "msa_mask_all_seq", + "deletion_matrix_all_seq", + "deletion_matrix_int_all_seq", + ): + num_res = feature.shape[1] + padding = MSA_PAD_VALUES[feature_name] * np.ones([1, num_res], feature.dtype) + elif feature_name == "msa_species_identifiers_all_seq": + padding = [b""] + else: + return feature + feats_padded = np.concatenate([feature, padding], axis=0) + return feats_padded + + +def _make_msa_df(chain_features: Mapping[str, np.ndarray]) -> pd.DataFrame: + """Makes dataframe with msa features needed for msa pairing.""" + chain_msa = chain_features["msa_all_seq"] + query_seq = chain_msa[0] + per_seq_similarity = np.sum(query_seq[None] == chain_msa, axis=-1) / float( + len(query_seq) + ) + per_seq_gap = np.sum(chain_msa == 21, axis=-1) / float(len(query_seq)) + msa_df = pd.DataFrame( + { + "msa_species_identifiers": chain_features[ + "msa_species_identifiers_all_seq" + ], + "msa_row": np.arange( + len(chain_features["msa_species_identifiers_all_seq"]) + ), + "msa_similarity": per_seq_similarity, + "gap": per_seq_gap, + } + ) + return msa_df + + +def _create_species_dict(msa_df: pd.DataFrame) -> dict[bytes, pd.DataFrame]: + """Creates mapping from species to msa dataframe of that species.""" + species_lookup = {} + for species, species_df in msa_df.groupby("msa_species_identifiers"): + species_lookup[species] = species_df + return species_lookup + + +def _match_rows_by_sequence_similarity( + this_species_msa_dfs: List[pd.DataFrame], +) -> list[List[int]]: + """Finds MSA sequence pairings across chains based on sequence similarity. + + Each chain's MSA sequences are first sorted by their sequence similarity to + their respective target sequence. The sequences are then paired, starting + from the sequences most similar to their target sequence. + + Args: + this_species_msa_dfs: a list of dataframes containing MSA features for + sequences for a specific species. + + Returns: + A list of lists, each containing M indices corresponding to paired MSA rows, + where M is the number of chains. + """ + all_paired_msa_rows = [] + + num_seqs = [ + len(species_df) for species_df in this_species_msa_dfs if species_df is not None + ] + take_num_seqs = np.min(num_seqs) + + sort_by_similarity = lambda x: x.sort_values( + "msa_similarity", axis=0, ascending=False + ) + + for species_df in this_species_msa_dfs: + if species_df is not None: + species_df_sorted = sort_by_similarity(species_df) + msa_rows = species_df_sorted.msa_row.iloc[:take_num_seqs].values + else: + msa_rows = [-1] * take_num_seqs # take the last 'padding' row + all_paired_msa_rows.append(msa_rows) + all_paired_msa_rows = list(np.array(all_paired_msa_rows).transpose()) + return all_paired_msa_rows + + +def pair_sequences( + examples: List[Mapping[str, np.ndarray]], +) -> dict[int, np.ndarray]: + """Returns indices for paired MSA sequences across chains.""" + + num_examples = len(examples) + + all_chain_species_dict = [] + common_species = set() + for chain_features in examples: + msa_df = _make_msa_df(chain_features) + species_dict = _create_species_dict(msa_df) + all_chain_species_dict.append(species_dict) + common_species.update(set(species_dict)) + + common_species = sorted(common_species) + common_species.remove(b"") # Remove target sequence species. + + all_paired_msa_rows = [np.zeros(len(examples), int)] + all_paired_msa_rows_dict = {k: [] for k in range(num_examples)} + all_paired_msa_rows_dict[num_examples] = [np.zeros(len(examples), int)] + + for species in common_species: + if not species: + continue + this_species_msa_dfs = [] + species_dfs_present = 0 + for species_dict in all_chain_species_dict: + if species in species_dict: + this_species_msa_dfs.append(species_dict[species]) + species_dfs_present += 1 + else: + this_species_msa_dfs.append(None) + + # Skip species that are present in only one chain. + if species_dfs_present <= 1: + continue + + if np.any( + np.array( + [ + len(species_df) + for species_df in this_species_msa_dfs + if isinstance(species_df, pd.DataFrame) + ] + ) + > 600 + ): + continue + + paired_msa_rows = _match_rows_by_sequence_similarity(this_species_msa_dfs) + all_paired_msa_rows.extend(paired_msa_rows) + all_paired_msa_rows_dict[species_dfs_present].extend(paired_msa_rows) + all_paired_msa_rows_dict = { + num_examples: np.array(paired_msa_rows) + for num_examples, paired_msa_rows in all_paired_msa_rows_dict.items() + } + return all_paired_msa_rows_dict + + +def reorder_paired_rows(all_paired_msa_rows_dict: dict[int, np.ndarray]) -> np.ndarray: + """Creates a list of indices of paired MSA rows across chains. + + Args: + all_paired_msa_rows_dict: a mapping from the number of paired chains to the + paired indices. + + Returns: + a list of lists, each containing indices of paired MSA rows across chains. + The paired-index lists are ordered by: + 1) the number of chains in the paired alignment, i.e, all-chain pairings + will come first. + 2) e-values + """ + all_paired_msa_rows = [] + + for num_pairings in sorted(all_paired_msa_rows_dict, reverse=True): + paired_rows = all_paired_msa_rows_dict[num_pairings] + paired_rows_product = abs(np.array([np.prod(rows) for rows in paired_rows])) + paired_rows_sort_index = np.argsort(paired_rows_product) + all_paired_msa_rows.extend(paired_rows[paired_rows_sort_index]) + + return np.array(all_paired_msa_rows) + + +def block_diag(*arrs: np.ndarray, pad_value: float = 0.0) -> np.ndarray: + """Like scipy.linalg.block_diag but with an optional padding value.""" + ones_arrs = [np.ones_like(x) for x in arrs] + off_diag_mask = 1.0 - scipy.linalg.block_diag(*ones_arrs) + diag = scipy.linalg.block_diag(*arrs) + diag += (off_diag_mask * pad_value).astype(diag.dtype) + return diag + + +def _correct_post_merged_feats( + np_example: Mapping[str, np.ndarray], + np_chains_list: Sequence[Mapping[str, np.ndarray]], + pair_msa_sequences: bool, +) -> Mapping[str, np.ndarray]: + """Adds features that need to be computed/recomputed post merging.""" + + np_example["seq_length"] = np.asarray(np_example["aatype"].shape[0], dtype=np.int32) + np_example["num_alignments"] = np.asarray( + np_example["msa"].shape[0], dtype=np.int32 + ) + + if not pair_msa_sequences: + # Generate a bias that is 1 for the first row of every block in the + # block diagonal MSA - i.e. make sure the cluster stack always includes + # the query sequences for each chain (since the first row is the query + # sequence). + cluster_bias_masks = [] + for chain in np_chains_list: + mask = np.zeros(chain["msa"].shape[0]) + mask[0] = 1 + cluster_bias_masks.append(mask) + + np_example["cluster_bias_mask"] = np.concatenate(cluster_bias_masks) + + # Initialize Bert mask with masked out off diagonals. + msa_masks = [np.ones(x["msa"].shape, dtype=np.float32) for x in np_chains_list] + + np_example["bert_mask"] = block_diag(*msa_masks, pad_value=0) + else: + np_example["cluster_bias_mask"] = np.zeros(np_example["msa"].shape[0]) + np_example["cluster_bias_mask"][0] = 1 + + # Initialize Bert mask with masked out off diagonals. + msa_masks = [np.ones(x["msa"].shape, dtype=np.float32) for x in np_chains_list] + msa_masks_all_seq = [ + np.ones(x["msa_all_seq"].shape, dtype=np.float32) for x in np_chains_list + ] + + msa_mask_block_diag = block_diag(*msa_masks, pad_value=0) + msa_mask_all_seq = np.concatenate(msa_masks_all_seq, axis=1) + np_example["bert_mask"] = np.concatenate( + [msa_mask_all_seq, msa_mask_block_diag], axis=0 + ) + + return np_example + + +def _pad_templates( + chains: Sequence[Mapping[str, np.ndarray]], max_templates: int +) -> Sequence[Mapping[str, np.ndarray]]: + """For each chain pad the number of templates to a fixed size. + + Args: + chains: A list of protein chains. + max_templates: Each chain will be padded to have this many templates. + + Returns: + The list of chains, updated to have template features padded to + max_templates. + """ + for chain in chains: + for k, v in chain.items(): + if k in TEMPLATE_FEATURES: + padding = np.zeros_like(v.shape) + padding[0] = max_templates - v.shape[0] + padding = [(0, p) for p in padding] + chain[k] = np.pad(v, padding, mode="constant") + return chains + + +def _merge_features_from_multiple_chains( + chains: Sequence[Mapping[str, np.ndarray]], pair_msa_sequences: bool +) -> Mapping[str, np.ndarray]: + """Merge features from multiple chains. + + Args: + chains: A list of feature dictionaries that we want to merge. + pair_msa_sequences: Whether to concatenate MSA features along the + num_res dimension (if True), or to block diagonalize them (if False). + + Returns: + A feature dictionary for the merged example. + """ + merged_example = {} + for feature_name in chains[0]: + feats = [x[feature_name] for x in chains] + feature_name_split = feature_name.split("_all_seq")[0] + if feature_name_split in MSA_FEATURES: + if pair_msa_sequences or "_all_seq" in feature_name: + merged_example[feature_name] = np.concatenate(feats, axis=1) + else: + merged_example[feature_name] = block_diag( + *feats, pad_value=MSA_PAD_VALUES[feature_name] + ) + elif feature_name_split in SEQ_FEATURES: + merged_example[feature_name] = np.concatenate(feats, axis=0) + elif feature_name_split in TEMPLATE_FEATURES: + merged_example[feature_name] = np.concatenate(feats, axis=1) + elif feature_name_split in CHAIN_FEATURES: + merged_example[feature_name] = np.sum(x for x in feats).astype(np.int32) + else: + merged_example[feature_name] = feats[0] + return merged_example + + +def _merge_homomers_dense_msa( + chains: Iterable[Mapping[str, np.ndarray]] +) -> Sequence[Mapping[str, np.ndarray]]: + """Merge all identical chains, making the resulting MSA dense. + + Args: + chains: An iterable of features for each chain. + + Returns: + A list of feature dictionaries. All features with the same entity_id + will be merged - MSA features will be concatenated along the num_res + dimension - making them dense. + """ + entity_chains = collections.defaultdict(list) + for chain in chains: + entity_id = chain["entity_id"][0] + entity_chains[entity_id].append(chain) + + grouped_chains = [] + for entity_id in sorted(entity_chains): + chains = entity_chains[entity_id] + grouped_chains.append(chains) + chains = [ + _merge_features_from_multiple_chains(chains, pair_msa_sequences=True) + for chains in grouped_chains + ] + return chains + + +def _concatenate_paired_and_unpaired_features( + example: Mapping[str, np.ndarray] +) -> Mapping[str, np.ndarray]: + """Merges paired and block-diagonalised features.""" + features = MSA_FEATURES + for feature_name in features: + if feature_name in example: + feat = example[feature_name] + feat_all_seq = example[feature_name + "_all_seq"] + merged_feat = np.concatenate([feat_all_seq, feat], axis=0) + example[feature_name] = merged_feat + example["num_alignments"] = np.array(example["msa"].shape[0], dtype=np.int32) + return example + + +def merge_chain_features( + np_chains_list: List[Mapping[str, np.ndarray]], + pair_msa_sequences: bool, + max_templates: int, +) -> Mapping[str, np.ndarray]: + """Merges features for multiple chains to single FeatureDict. + + Args: + np_chains_list: List of FeatureDicts for each chain. + pair_msa_sequences: Whether to merge paired MSAs. + max_templates: The maximum number of templates to include. + + Returns: + Single FeatureDict for entire complex. + """ + np_chains_list = _pad_templates(np_chains_list, max_templates=max_templates) + np_chains_list = _merge_homomers_dense_msa(np_chains_list) + # Unpaired MSA features will be always block-diagonalised; paired MSA + # features will be concatenated. + np_example = _merge_features_from_multiple_chains( + np_chains_list, pair_msa_sequences=False + ) + if pair_msa_sequences: + np_example = _concatenate_paired_and_unpaired_features(np_example) + np_example = _correct_post_merged_feats( + np_example=np_example, + np_chains_list=np_chains_list, + pair_msa_sequences=pair_msa_sequences, + ) + + return np_example + + +def deduplicate_unpaired_sequences( + np_chains: List[Mapping[str, np.ndarray]] +) -> list[Mapping[str, np.ndarray]]: + """Removes unpaired sequences which duplicate a paired sequence.""" + + feature_names = np_chains[0].keys() + msa_features = MSA_FEATURES + + for chain in np_chains: + # Convert the msa_all_seq numpy array to a tuple for hashing. + sequence_set = set(tuple(s) for s in chain["msa_all_seq"]) + keep_rows = [] + # Go through unpaired MSA seqs and remove any rows that correspond to the + # sequences that are already present in the paired MSA. + for row_num, seq in enumerate(chain["msa"]): + if tuple(seq) not in sequence_set: + keep_rows.append(row_num) + for feature_name in feature_names: + if feature_name in msa_features: + chain[feature_name] = chain[feature_name][keep_rows] + chain["num_alignments"] = np.array(chain["msa"].shape[0], dtype=np.int32) + return np_chains diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/parsers.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/parsers.py new file mode 100644 index 0000000000000000000000000000000000000000..1572e5b6562ccd8590a96e4cd651a8160020377d --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/parsers.py @@ -0,0 +1,642 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Functions for parsing various file formats.""" +import collections +import dataclasses +import itertools +import re +import string +from typing import Dict, Iterable, List, Optional, Sequence, Set, Tuple + +DeletionMatrix = Sequence[Sequence[int]] + + +@dataclasses.dataclass(frozen=True) +class Msa: + """Class representing a parsed MSA file""" + + sequences: Sequence[str] + deletion_matrix: DeletionMatrix + descriptions: Optional[Sequence[str]] + + def __post_init__(self): + if not ( + len(self.sequences) == len(self.deletion_matrix) == len(self.descriptions) + ): + raise ValueError("All fields for an MSA must have the same length") + + def __len__(self): + return len(self.sequences) + + def truncate(self, max_seqs: int): + return Msa( + sequences=self.sequences[:max_seqs], + deletion_matrix=self.deletion_matrix[:max_seqs], + descriptions=self.descriptions[:max_seqs], + ) + + +@dataclasses.dataclass(frozen=True) +class TemplateHit: + """Class representing a template hit.""" + + index: int + name: str + aligned_cols: int + sum_probs: Optional[float] + query: str + hit_sequence: str + indices_query: List[int] + indices_hit: List[int] + + +def parse_fasta(fasta_string: str) -> Tuple[Sequence[str], Sequence[str]]: + """Parses FASTA string and returns list of strings with amino-acid sequences. + + Arguments: + fasta_string: The string contents of a FASTA file. + + Returns: + A tuple of two lists: + * A list of sequences. + * A list of sequence descriptions taken from the comment lines. In the + same order as the sequences. + """ + sequences = [] + descriptions = [] + index = -1 + for line in fasta_string.splitlines(): + line = line.strip() + if line.startswith(">"): + index += 1 + descriptions.append(line[1:]) # Remove the '>' at the beginning. + sequences.append("") + continue + elif line.startswith("#"): + continue + elif not line: + continue # Skip blank lines. + sequences[index] += line + + return sequences, descriptions + + +def parse_stockholm(stockholm_string: str) -> Msa: + """Parses sequences and deletion matrix from stockholm format alignment. + + Args: + stockholm_string: The string contents of a stockholm file. The first + sequence in the file should be the query sequence. + + Returns: + A tuple of: + * A list of sequences that have been aligned to the query. These + might contain duplicates. + * The deletion matrix for the alignment as a list of lists. The element + at `deletion_matrix[i][j]` is the number of residues deleted from + the aligned sequence i at residue position j. + * The names of the targets matched, including the jackhmmer subsequence + suffix. + """ + name_to_sequence = collections.OrderedDict() + for line in stockholm_string.splitlines(): + line = line.strip() + if not line or line.startswith(("#", "//")): + continue + name, sequence = line.split() + if name not in name_to_sequence: + name_to_sequence[name] = "" + name_to_sequence[name] += sequence + + msa = [] + deletion_matrix = [] + + query = "" + keep_columns = [] + for seq_index, sequence in enumerate(name_to_sequence.values()): + if seq_index == 0: + # Gather the columns with gaps from the query + query = sequence + keep_columns = [i for i, res in enumerate(query) if res != "-"] + + # Remove the columns with gaps in the query from all sequences. + aligned_sequence = "".join([sequence[c] for c in keep_columns]) + + msa.append(aligned_sequence) + + # Count the number of deletions w.r.t. query. + deletion_vec = [] + deletion_count = 0 + for seq_res, query_res in zip(sequence, query): + if seq_res != "-" or query_res != "-": + if query_res == "-": + deletion_count += 1 + else: + deletion_vec.append(deletion_count) + deletion_count = 0 + deletion_matrix.append(deletion_vec) + + return Msa( + sequences=msa, + deletion_matrix=deletion_matrix, + descriptions=list(name_to_sequence.keys()), + ) + + +def parse_a3m(a3m_string: str) -> Msa: + """Parses sequences and deletion matrix from a3m format alignment. + + Args: + a3m_string: The string contents of a a3m file. The first sequence in the + file should be the query sequence. + + Returns: + A tuple of: + * A list of sequences that have been aligned to the query. These + might contain duplicates. + * The deletion matrix for the alignment as a list of lists. The element + at `deletion_matrix[i][j]` is the number of residues deleted from + the aligned sequence i at residue position j. + """ + sequences, descriptions = parse_fasta(a3m_string) + deletion_matrix = [] + for msa_sequence in sequences: + deletion_vec = [] + deletion_count = 0 + for j in msa_sequence: + if j.islower(): + deletion_count += 1 + else: + deletion_vec.append(deletion_count) + deletion_count = 0 + deletion_matrix.append(deletion_vec) + + # Make the MSA matrix out of aligned (deletion-free) sequences. + deletion_table = str.maketrans("", "", string.ascii_lowercase) + aligned_sequences = [s.translate(deletion_table) for s in sequences] + return Msa( + sequences=aligned_sequences, + deletion_matrix=deletion_matrix, + descriptions=descriptions, + ) + + +def _convert_sto_seq_to_a3m( + query_non_gaps: Sequence[bool], sto_seq: str +) -> Iterable[str]: + for is_query_res_non_gap, sequence_res in zip(query_non_gaps, sto_seq): + if is_query_res_non_gap: + yield sequence_res + elif sequence_res != "-": + yield sequence_res.lower() + + +def convert_stockholm_to_a3m( + stockholm_format: str, + max_sequences: Optional[int] = None, + remove_first_row_gaps: bool = True, +) -> str: + """Converts MSA in Stockholm format to the A3M format.""" + descriptions = {} + sequences = {} + reached_max_sequences = False + + for line in stockholm_format.splitlines(): + reached_max_sequences = max_sequences and len(sequences) >= max_sequences + if line.strip() and not line.startswith(("#", "//")): + # Ignore blank lines, markup and end symbols - remainder are alignment + # sequence parts. + seqname, aligned_seq = line.split(maxsplit=1) + if seqname not in sequences: + if reached_max_sequences: + continue + sequences[seqname] = "" + sequences[seqname] += aligned_seq + + for line in stockholm_format.splitlines(): + if line[:4] == "#=GS": + # Description row - example format is: + # #=GS UniRef90_Q9H5Z4/4-78 DE [subseq from] cDNA: FLJ22755 ... + columns = line.split(maxsplit=3) + seqname, feature = columns[1:3] + value = columns[3] if len(columns) == 4 else "" + if feature != "DE": + continue + if reached_max_sequences and seqname not in sequences: + continue + descriptions[seqname] = value + if len(descriptions) == len(sequences): + break + + # Convert sto format to a3m line by line + a3m_sequences = {} + if remove_first_row_gaps: + # query_sequence is assumed to be the first sequence + query_sequence = next(iter(sequences.values())) + query_non_gaps = [res != "-" for res in query_sequence] + for seqname, sto_sequence in sequences.items(): + # Dots are optional in a3m format and are commonly removed. + out_sequence = sto_sequence.replace(".", "") + if remove_first_row_gaps: + out_sequence = "".join( + _convert_sto_seq_to_a3m(query_non_gaps, out_sequence) + ) + a3m_sequences[seqname] = out_sequence + + fasta_chunks = ( + f">{k} {descriptions.get(k, '')}\n{a3m_sequences[k]}" for k in a3m_sequences + ) + return "\n".join(fasta_chunks) + "\n" # Include terminating newline. + + +def _keep_line(line: str, seqnames: Set[str]) -> bool: + """Function to decide which lines to keep.""" + if not line.strip(): + return True + if line.strip() == "//": # End tag + return True + if line.startswith("# STOCKHOLM"): # Start tag + return True + if line.startswith("#=GC RF"): # Reference Annotation Line + return True + if line[:4] == "#=GS": # Description lines - keep if sequence in list. + _, seqname, _ = line.split(maxsplit=2) + return seqname in seqnames + elif line.startswith("#"): # Other markup - filter out + return False + else: # Alignment data - keep if sequence in list. + seqname = line.partition(" ")[0] + return seqname in seqnames + + +def truncate_stockholm_msa(stockholm_msa_path: str, max_sequences: int) -> str: + """Reads + truncates a Stockholm file while preventing excessive RAM usage.""" + seqnames = set() + filtered_lines = [] + + with open(stockholm_msa_path) as f: + for line in f: + if line.strip() and not line.startswith(("#", "//")): + # Ignore blank lines, markup and end symbols - remainder are alignment + # sequence parts. + seqname = line.partition(" ")[0] + seqnames.add(seqname) + if len(seqnames) >= max_sequences: + break + + f.seek(0) + for line in f: + if _keep_line(line, seqnames): + filtered_lines.append(line) + + return "".join(filtered_lines) + + +def remove_empty_columns_from_stockholm_msa(stockholm_msa: str) -> str: + """Removes empty columns (dashes-only) from a Stockholm MSA.""" + processed_lines = {} + unprocessed_lines = {} + for i, line in enumerate(stockholm_msa.splitlines()): + if line.startswith("#=GC RF"): + reference_annotation_i = i + reference_annotation_line = line + # Reached the end of this chunk of the alignment. Process chunk. + _, _, first_alignment = line.rpartition(" ") + mask = [] + for j in range(len(first_alignment)): + for _, unprocessed_line in unprocessed_lines.items(): + prefix, _, alignment = unprocessed_line.rpartition(" ") + if alignment[j] != "-": + mask.append(True) + break + else: # Every row contained a hyphen - empty column. + mask.append(False) + # Add reference annotation for processing with mask. + unprocessed_lines[reference_annotation_i] = reference_annotation_line + + if not any(mask): # All columns were empty. Output empty lines for chunk. + for line_index in unprocessed_lines: + processed_lines[line_index] = "" + else: + for line_index, unprocessed_line in unprocessed_lines.items(): + prefix, _, alignment = unprocessed_line.rpartition(" ") + masked_alignment = "".join(itertools.compress(alignment, mask)) + processed_lines[line_index] = f"{prefix} {masked_alignment}" + + # Clear raw_alignments. + unprocessed_lines = {} + elif line.strip() and not line.startswith(("#", "//")): + unprocessed_lines[i] = line + else: + processed_lines[i] = line + return "\n".join((processed_lines[i] for i in range(len(processed_lines)))) + + +def deduplicate_stockholm_msa(stockholm_msa: str) -> str: + """Remove duplicate sequences (ignoring insertions wrt query).""" + sequence_dict = collections.defaultdict(str) + + # First we must extract all sequences from the MSA. + for line in stockholm_msa.splitlines(): + # Only consider the alignments - ignore reference annotation, empty lines, + # descriptions or markup. + if line.strip() and not line.startswith(("#", "//")): + line = line.strip() + seqname, alignment = line.split() + sequence_dict[seqname] += alignment + + seen_sequences = set() + seqnames = set() + # First alignment is the query. + query_align = next(iter(sequence_dict.values())) + mask = [c != "-" for c in query_align] # Mask is False for insertions. + for seqname, alignment in sequence_dict.items(): + # Apply mask to remove all insertions from the string. + masked_alignment = "".join(itertools.compress(alignment, mask)) + if masked_alignment in seen_sequences: + continue + else: + seen_sequences.add(masked_alignment) + seqnames.add(seqname) + + filtered_lines = [] + for line in stockholm_msa.splitlines(): + if _keep_line(line, seqnames): + filtered_lines.append(line) + + return "\n".join(filtered_lines) + "\n" + + +def _get_hhr_line_regex_groups( + regex_pattern: str, line: str +) -> Sequence[Optional[str]]: + match = re.match(regex_pattern, line) + if match is None: + raise RuntimeError(f"Could not parse query line {line}") + return match.groups() + + +def _update_hhr_residue_indices_list( + sequence: str, start_index: int, indices_list: List[int] +): + """Computes the relative indices for each residue with respect to the original sequence.""" + counter = start_index + for symbol in sequence: + if symbol == "-": + indices_list.append(-1) + else: + indices_list.append(counter) + counter += 1 + + +def _parse_hhr_hit(detailed_lines: Sequence[str]) -> TemplateHit: + """Parses the detailed HMM HMM comparison section for a single Hit. + + This works on .hhr files generated from both HHBlits and HHSearch. + + Args: + detailed_lines: A list of lines from a single comparison section between 2 + sequences (which each have their own HMM's) + + Returns: + A dictionary with the information from that detailed comparison section + + Raises: + RuntimeError: If a certain line cannot be processed + """ + # Parse first 2 lines. + number_of_hit = int(detailed_lines[0].split()[-1]) + name_hit = detailed_lines[1][1:] + + # Parse the summary line. + pattern = ( + "Probab=(.*)[\t ]*E-value=(.*)[\t ]*Score=(.*)[\t ]*Aligned_cols=(.*)[\t" + " ]*Identities=(.*)%[\t ]*Similarity=(.*)[\t ]*Sum_probs=(.*)[\t " + "]*Template_Neff=(.*)" + ) + match = re.match(pattern, detailed_lines[2]) + if match is None: + raise RuntimeError( + "Could not parse section: %s. Expected this: \n%s to contain summary." + % (detailed_lines, detailed_lines[2]) + ) + (_, _, _, aligned_cols, _, _, sum_probs, _) = [float(x) for x in match.groups()] + + # The next section reads the detailed comparisons. These are in a 'human + # readable' format which has a fixed length. The strategy employed is to + # assume that each block starts with the query sequence line, and to parse + # that with a regexp in order to deduce the fixed length used for that block. + query = "" + hit_sequence = "" + indices_query = [] + indices_hit = [] + length_block = None + + for line in detailed_lines[3:]: + # Parse the query sequence line + if ( + line.startswith("Q ") + and not line.startswith("Q ss_dssp") + and not line.startswith("Q ss_pred") + and not line.startswith("Q Consensus") + ): + # Thus the first 17 characters must be 'Q ', and we can parse + # everything after that. + # start sequence end total_sequence_length + patt = r"[\t ]*([0-9]*) ([A-Z-]*)[\t ]*([0-9]*) \([0-9]*\)" + groups = _get_hhr_line_regex_groups(patt, line[17:]) + + # Get the length of the parsed block using the start and finish indices, + # and ensure it is the same as the actual block length. + start = int(groups[0]) - 1 # Make index zero based. + delta_query = groups[1] + end = int(groups[2]) + num_insertions = len([x for x in delta_query if x == "-"]) + length_block = end - start + num_insertions + assert length_block == len(delta_query) + + # Update the query sequence and indices list. + query += delta_query + _update_hhr_residue_indices_list(delta_query, start, indices_query) + + elif line.startswith("T "): + # Parse the hit sequence. + if ( + not line.startswith("T ss_dssp") + and not line.startswith("T ss_pred") + and not line.startswith("T Consensus") + ): + # Thus the first 17 characters must be 'T ', and we can + # parse everything after that. + # start sequence end total_sequence_length + patt = r"[\t ]*([0-9]*) ([A-Z-]*)[\t ]*[0-9]* \([0-9]*\)" + groups = _get_hhr_line_regex_groups(patt, line[17:]) + start = int(groups[0]) - 1 # Make index zero based. + delta_hit_sequence = groups[1] + assert length_block == len(delta_hit_sequence) + + # Update the hit sequence and indices list. + hit_sequence += delta_hit_sequence + _update_hhr_residue_indices_list(delta_hit_sequence, start, indices_hit) + + return TemplateHit( + index=number_of_hit, + name=name_hit, + aligned_cols=int(aligned_cols), + sum_probs=sum_probs, + query=query, + hit_sequence=hit_sequence, + indices_query=indices_query, + indices_hit=indices_hit, + ) + + +def parse_hhr(hhr_string: str) -> Sequence[TemplateHit]: + """Parses the content of an entire HHR file.""" + lines = hhr_string.splitlines() + + # Each .hhr file starts with a results table, then has a sequence of hit + # "paragraphs", each paragraph starting with a line 'No '. We + # iterate through each paragraph to parse each hit. + + block_starts = [i for i, line in enumerate(lines) if line.startswith("No ")] + + hits = [] + if block_starts: + block_starts.append(len(lines)) # Add the end of the final block. + for i in range(len(block_starts) - 1): + hits.append(_parse_hhr_hit(lines[block_starts[i] : block_starts[i + 1]])) + return hits + + +def parse_e_values_from_tblout(tblout: str) -> dict[str, float]: + """Parse target to e-value mapping parsed from Jackhmmer tblout string.""" + e_values = {"query": 0} + lines = [line for line in tblout.splitlines() if line[0] != "#"] + # As per http://eddylab.org/software/hmmer/Userguide.pdf fields are + # space-delimited. Relevant fields are (1) target name: and + # (5) E-value (full sequence) (numbering from 1). + for line in lines: + fields = line.split() + e_value = fields[4] + target_name = fields[0] + e_values[target_name] = float(e_value) + return e_values + + +def _get_indices(sequence: str, start: int) -> list[int]: + """Returns indices for non-gap/insert residues starting at the given index.""" + indices = [] + counter = start + for symbol in sequence: + # Skip gaps but add a placeholder so that the alignment is preserved. + if symbol == "-": + indices.append(-1) + # Skip deleted residues, but increase the counter. + elif symbol.islower(): + counter += 1 + # Normal aligned residue. Increase the counter and append to indices. + else: + indices.append(counter) + counter += 1 + return indices + + +@dataclasses.dataclass(frozen=True) +class HitMetadata: + pdb_id: str + chain: str + start: int + end: int + length: int + text: str + + +def _parse_hmmsearch_description(description: str) -> HitMetadata: + """Parses the hmmsearch A3M sequence description line.""" + # Example 1: >4pqx_A/2-217 [subseq from] mol:protein length:217 Free text + # Example 2: >5g3r_A/1-55 [subseq from] mol:protein length:352 + match = re.match( + r"^>?([a-z0-9]+)_(\w+)/([0-9]+)-([0-9]+).*protein length:([0-9]+) *(.*)$", + description.strip(), + ) + + if not match: + raise ValueError(f'Could not parse description: "{description}".') + + return HitMetadata( + pdb_id=match[1], + chain=match[2], + start=int(match[3]), + end=int(match[4]), + length=int(match[5]), + text=match[6], + ) + + +def parse_hmmsearch_a3m( + query_sequence: str, a3m_string: str, skip_first: bool = True +) -> Sequence[TemplateHit]: + """Parses an a3m string produced by hmmsearch. + + Args: + query_sequence: The query sequence. + a3m_string: The a3m string produced by hmmsearch. + skip_first: Whether to skip the first sequence in the a3m string. + + Returns: + A sequence of `TemplateHit` results. + """ + # Zip the descriptions and MSAs together, skip the first query sequence. + parsed_a3m = list(zip(*parse_fasta(a3m_string))) + if skip_first: + parsed_a3m = parsed_a3m[1:] + + indices_query = _get_indices(query_sequence, start=0) + + hits = [] + for i, (hit_sequence, hit_description) in enumerate(parsed_a3m, start=1): + if "mol:protein" not in hit_description: + continue # Skip non-protein chains. + metadata = _parse_hmmsearch_description(hit_description) + # Aligned columns are only the match states. + aligned_cols = sum([r.isupper() and r != "-" for r in hit_sequence]) + indices_hit = _get_indices(hit_sequence, start=metadata.start - 1) + + hit = TemplateHit( + index=i, + name=f"{metadata.pdb_id}_{metadata.chain}", + aligned_cols=aligned_cols, + sum_probs=None, + query=query_sequence, + hit_sequence=hit_sequence.upper(), + indices_query=indices_query, + indices_hit=indices_hit, + ) + hits.append(hit) + + return hits + + +def parse_hmmsearch_sto( + output_string: str, input_sequence: str +) -> Sequence[TemplateHit]: + """Gets parsed template hits from the raw string output by the tool.""" + a3m_string = convert_stockholm_to_a3m(output_string, remove_first_row_gaps=False) + template_hits = parse_hmmsearch_a3m( + query_sequence=input_sequence, a3m_string=a3m_string, skip_first=False + ) + return template_hits diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/templates.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/templates.py new file mode 100644 index 0000000000000000000000000000000000000000..da5dbdf300b5d18548c01ed50557e24cd0e6c238 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/templates.py @@ -0,0 +1,592 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Functions for getting templates and calculating template features.""" +import abc +import dataclasses +import datetime +import functools +import glob +import json +import logging +import os +import re +from typing import Any, Dict, Mapping, Optional, Sequence, Tuple + +import numpy as np + +from protenix.data import kalign +from protenix.openfold_local.data import mmcif_parsing, parsers +from protenix.openfold_local.data.errors import Error +from protenix.openfold_local.data.tools.utils import to_date +from protenix.openfold_local.np import residue_constants + + +class NoChainsError(Error): + """An error indicating that template mmCIF didn't have any chains.""" + + +class SequenceNotInTemplateError(Error): + """An error indicating that template mmCIF didn't contain the sequence.""" + + +class NoAtomDataInTemplateError(Error): + """An error indicating that template mmCIF didn't contain atom positions.""" + + +class TemplateAtomMaskAllZerosError(Error): + """An error indicating that template mmCIF had all atom positions masked.""" + + +class QueryToTemplateAlignError(Error): + """An error indicating that the query can't be aligned to the template.""" + + +class CaDistanceError(Error): + """An error indicating that a CA atom distance exceeds a threshold.""" + + +# Prefilter exceptions. +class PrefilterError(Exception): + """A base class for template prefilter exceptions.""" + + +class DateError(PrefilterError): + """An error indicating that the hit date was after the max allowed date.""" + + +class AlignRatioError(PrefilterError): + """An error indicating that the hit align ratio to the query was too small.""" + + +class DuplicateError(PrefilterError): + """An error indicating that the hit was an exact subsequence of the query.""" + + +class LengthError(PrefilterError): + """An error indicating that the hit was too short.""" + + +TEMPLATE_FEATURES = { + "template_aatype": np.int64, + "template_all_atom_mask": np.float32, + "template_all_atom_positions": np.float32, + "template_domain_names": object, + "template_sequence": object, + "template_sum_probs": np.float32, +} + + +def empty_template_feats(n_res): + return { + "template_aatype": np.zeros( + (0, n_res, len(residue_constants.restypes_with_x_and_gap)), np.float32 + ), + "template_all_atom_mask": np.zeros( + (0, n_res, residue_constants.atom_type_num), np.float32 + ), + "template_all_atom_positions": np.zeros( + (0, n_res, residue_constants.atom_type_num, 3), np.float32 + ), + "template_domain_names": np.array(["".encode()], dtype=object), + "template_sequence": np.array(["".encode()], dtype=object), + "template_sum_probs": np.zeros((0, 1), dtype=np.float32), + } + + +def _get_pdb_id_and_chain(hit: parsers.TemplateHit) -> Tuple[str, str]: + """Returns PDB id and chain id for an HHSearch Hit.""" + # PDB ID: 4 letters. Chain ID: 1+ alphanumeric letters or "." if unknown. + id_match = re.match(r"[a-zA-Z\d]{4}_[a-zA-Z0-9.]+", hit.name) + if not id_match: + raise ValueError(f"hit.name did not start with PDBID_chain: {hit.name}") + pdb_id, chain_id = id_match.group(0).split("_") + return pdb_id.lower(), chain_id + + +def _is_after_cutoff( + pdb_id: str, + release_dates: Mapping[str, datetime.datetime], + release_date_cutoff: Optional[datetime.datetime], +) -> bool: + """Checks if the template date is after the release date cutoff. + + Args: + pdb_id: 4 letter pdb code. + release_dates: dictionary mapping PDB ids to their structure release dates. + release_date_cutoff: Max release date that is valid for this query. + + Returns: + True if the template release date is after the cutoff, False otherwise. + """ + pdb_id_upper = pdb_id.upper() + if release_date_cutoff is None: + raise ValueError("The release_date_cutoff must not be None.") + if pdb_id_upper in release_dates: + return release_dates[pdb_id_upper] > release_date_cutoff + else: + # Since this is just a quick prefilter to reduce the number of mmCIF files + # we need to parse, we don't have to worry about returning True here. + logging.info("Template structure not in release dates dict: %s", pdb_id) + return False + + +def _replace_obsolete_references(obsolete_mapping) -> Mapping[str, str]: + """Generates a new obsolete by tracing all cross-references and store the latest leaf to all referencing nodes""" + obsolete_new = {} + obsolete_keys = obsolete_mapping.keys() + + def _new_target(k): + v = obsolete_mapping[k] + if v in obsolete_keys: + return _new_target(v) + return v + + for k in obsolete_keys: + obsolete_new[k] = _new_target(k) + + return obsolete_new + + +def _parse_obsolete(obsolete_file_path: str) -> Mapping[str, str]: + """Parses the data file from PDB that lists which PDB ids are obsolete.""" + with open(obsolete_file_path) as f: + result = {} + for line in f: + line = line.strip() + # We skip obsolete entries that don't contain a mapping to a new entry. + if line.startswith("OBSLTE") and len(line) > 30: + # Format: Date From To + # 'OBSLTE 31-JUL-94 116L 216L' + from_id = line[20:24].lower() + to_id = line[29:33].lower() + result[from_id] = to_id + return _replace_obsolete_references(result) + + +def generate_release_dates_cache(mmcif_dir: str, out_path: str): + dates = {} + for f in os.listdir(mmcif_dir): + if f.endswith(".cif"): + path = os.path.join(mmcif_dir, f) + with open(path, "r") as fp: + mmcif_string = fp.read() + + file_id = os.path.splitext(f)[0] + mmcif = mmcif_parsing.parse(file_id=file_id, mmcif_string=mmcif_string) + if mmcif.mmcif_object is None: + logging.info(f"Failed to parse {f}. Skipping...") + continue + + mmcif = mmcif.mmcif_object + release_date = mmcif.header["release_date"] + + dates[file_id] = release_date + + with open(out_path, "r") as fp: + fp.write(json.dumps(dates)) + + +def _parse_release_dates(path: str) -> Mapping[str, datetime.datetime]: + """Parses release dates file, returns a mapping from PDBs to release dates.""" + with open(path, "r") as fp: + data = json.load(fp) + + return { + pdb.upper(): to_date(v) + for pdb, d in data.items() + for k, v in d.items() + if k == "release_date" + } + + +def _assess_hhsearch_hit( + hit: parsers.TemplateHit, + hit_pdb_code: str, + query_sequence: str, + release_dates: Mapping[str, datetime.datetime], + release_date_cutoff: datetime.datetime, + max_subsequence_ratio: float = 0.95, + min_align_ratio: float = 0.1, +) -> bool: + """Determines if template is valid (without parsing the template mmcif file). + + Args: + hit: HhrHit for the template. + hit_pdb_code: The 4 letter pdb code of the template hit. This might be + different from the value in the actual hit since the original pdb might + have become obsolete. + query_sequence: Amino acid sequence of the query. + release_dates: dictionary mapping pdb codes to their structure release + dates. + release_date_cutoff: Max release date that is valid for this query. + max_subsequence_ratio: Exclude any exact matches with this much overlap. + min_align_ratio: Minimum overlap between the template and query. + + Returns: + True if the hit passed the prefilter. Raises an exception otherwise. + + Raises: + DateError: If the hit date was after the max allowed date. + AlignRatioError: If the hit align ratio to the query was too small. + DuplicateError: If the hit was an exact subsequence of the query. + LengthError: If the hit was too short. + """ + aligned_cols = hit.aligned_cols + align_ratio = aligned_cols / len(query_sequence) + + template_sequence = hit.hit_sequence.replace("-", "") + length_ratio = float(len(template_sequence)) / len(query_sequence) + + if _is_after_cutoff(hit_pdb_code, release_dates, release_date_cutoff): + date = release_dates[hit_pdb_code.upper()] + raise DateError( + f"Date ({date}) > max template date " f"({release_date_cutoff})." + ) + + if align_ratio <= min_align_ratio: + raise AlignRatioError( + "Proportion of residues aligned to query too small. " + f"Align ratio: {align_ratio}." + ) + + # Check whether the template is a large subsequence or duplicate of original + # query. This can happen due to duplicate entries in the PDB database. + duplicate = ( + template_sequence in query_sequence and length_ratio > max_subsequence_ratio + ) + + if duplicate: + raise DuplicateError( + "Template is an exact subsequence of query with large " + f"coverage. Length ratio: {length_ratio}." + ) + + if len(template_sequence) < 10: + raise LengthError(f"Template too short. Length: {len(template_sequence)}.") + + return True + + +def _find_template_in_pdb( + template_chain_id: str, + template_sequence: str, + mmcif_object: mmcif_parsing.MmcifObject, +) -> Tuple[str, str, int]: + """Tries to find the template chain in the given pdb file. + + This method tries the three following things in order: + 1. Tries if there is an exact match in both the chain ID and the sequence. + If yes, the chain sequence is returned. Otherwise: + 2. Tries if there is an exact match only in the sequence. + If yes, the chain sequence is returned. Otherwise: + 3. Tries if there is a fuzzy match (X = wildcard) in the sequence. + If yes, the chain sequence is returned. + If none of these succeed, a SequenceNotInTemplateError is thrown. + + Args: + template_chain_id: The template chain ID. + template_sequence: The template chain sequence. + mmcif_object: The PDB object to search for the template in. + + Returns: + A tuple with: + * The chain sequence that was found to match the template in the PDB object. + * The ID of the chain that is being returned. + * The offset where the template sequence starts in the chain sequence. + + Raises: + SequenceNotInTemplateError: If no match is found after the steps described + above. + """ + # Try if there is an exact match in both the chain ID and the (sub)sequence. + pdb_id = mmcif_object.file_id + chain_sequence = mmcif_object.chain_to_seqres.get(template_chain_id) + if chain_sequence and (template_sequence in chain_sequence): + logging.info("Found an exact template match %s_%s.", pdb_id, template_chain_id) + mapping_offset = chain_sequence.find(template_sequence) + return chain_sequence, template_chain_id, mapping_offset + + # Try if there is an exact match in the (sub)sequence only. + for chain_id, chain_sequence in mmcif_object.chain_to_seqres.items(): + if chain_sequence and (template_sequence in chain_sequence): + logging.info("Found a sequence-only match %s_%s.", pdb_id, chain_id) + mapping_offset = chain_sequence.find(template_sequence) + return chain_sequence, chain_id, mapping_offset + + # Return a chain sequence that fuzzy matches (X = wildcard) the template. + # Make parentheses unnamed groups (?:_) to avoid the 100 named groups limit. + regex = ["." if aa == "X" else "(?:%s|X)" % aa for aa in template_sequence] + regex = re.compile("".join(regex)) + for chain_id, chain_sequence in mmcif_object.chain_to_seqres.items(): + match = re.search(regex, chain_sequence) + if match: + logging.info("Found a fuzzy sequence-only match %s_%s.", pdb_id, chain_id) + mapping_offset = match.start() + return chain_sequence, chain_id, mapping_offset + + # No hits, raise an error. + raise SequenceNotInTemplateError( + "Could not find the template sequence in %s_%s. Template sequence: %s, " + "chain_to_seqres: %s" + % ( + pdb_id, + template_chain_id, + template_sequence, + mmcif_object.chain_to_seqres, + ) + ) + + +def _realign_pdb_template_to_query( + old_template_sequence: str, + template_chain_id: str, + mmcif_object: mmcif_parsing.MmcifObject, + old_mapping: Mapping[int, int], + kalign_binary_path: str, +) -> Tuple[str, Mapping[int, int]]: + """Aligns template from the mmcif_object to the query. + + In case PDB70 contains a different version of the template sequence, we need + to perform a realignment to the actual sequence that is in the mmCIF file. + This method performs such realignment, but returns the new sequence and + mapping only if the sequence in the mmCIF file is 90% identical to the old + sequence. + + Note that the old_template_sequence comes from the hit, and contains only that + part of the chain that matches with the query while the new_template_sequence + is the full chain. + + Args: + old_template_sequence: The template sequence that was returned by the PDB + template search (typically done using HHSearch). + template_chain_id: The template chain id was returned by the PDB template + search (typically done using HHSearch). This is used to find the right + chain in the mmcif_object chain_to_seqres mapping. + mmcif_object: A mmcif_object which holds the actual template data. + old_mapping: A mapping from the query sequence to the template sequence. + This mapping will be used to compute the new mapping from the query + sequence to the actual mmcif_object template sequence by aligning the + old_template_sequence and the actual template sequence. + kalign_binary_path: The path to a kalign executable. + + Returns: + A tuple (new_template_sequence, new_query_to_template_mapping) where: + * new_template_sequence is the actual template sequence that was found in + the mmcif_object. + * new_query_to_template_mapping is the new mapping from the query to the + actual template found in the mmcif_object. + + Raises: + QueryToTemplateAlignError: + * If there was an error thrown by the alignment tool. + * Or if the actual template sequence differs by more than 10% from the + old_template_sequence. + """ + aligner = kalign.Kalign(binary_path=kalign_binary_path) + new_template_sequence = mmcif_object.chain_to_seqres.get(template_chain_id, "") + + # Sometimes the template chain id is unknown. But if there is only a single + # sequence within the mmcif_object, it is safe to assume it is that one. + if not new_template_sequence: + if len(mmcif_object.chain_to_seqres) == 1: + logging.info( + "Could not find %s in %s, but there is only 1 sequence, so " + "using that one.", + template_chain_id, + mmcif_object.file_id, + ) + new_template_sequence = list(mmcif_object.chain_to_seqres.values())[0] + else: + raise QueryToTemplateAlignError( + f"Could not find chain {template_chain_id} in {mmcif_object.file_id}. " + "If there are no mmCIF parsing errors, it is possible it was not a " + "protein chain." + ) + + try: + parsed_a3m = parsers.parse_a3m( + aligner.align([old_template_sequence, new_template_sequence]) + ) + old_aligned_template, new_aligned_template = parsed_a3m.sequences + except Exception as e: + raise QueryToTemplateAlignError( + "Could not align old template %s to template %s (%s_%s). Error: %s" + % ( + old_template_sequence, + new_template_sequence, + mmcif_object.file_id, + template_chain_id, + str(e), + ) + ) + + logging.info( + "Old aligned template: %s\nNew aligned template: %s", + old_aligned_template, + new_aligned_template, + ) + + old_to_new_template_mapping = {} + old_template_index = -1 + new_template_index = -1 + num_same = 0 + for old_template_aa, new_template_aa in zip( + old_aligned_template, new_aligned_template + ): + if old_template_aa != "-": + old_template_index += 1 + if new_template_aa != "-": + new_template_index += 1 + if old_template_aa != "-" and new_template_aa != "-": + old_to_new_template_mapping[old_template_index] = new_template_index + if old_template_aa == new_template_aa: + num_same += 1 + + # Require at least 90 % sequence identity wrt to the shorter of the sequences. + if ( + float(num_same) / min(len(old_template_sequence), len(new_template_sequence)) + < 0.9 + ): + raise QueryToTemplateAlignError( + "Insufficient similarity of the sequence in the database: %s to the " + "actual sequence in the mmCIF file %s_%s: %s. We require at least " + "90 %% similarity wrt to the shorter of the sequences. This is not a " + "problem unless you think this is a template that should be included." + % ( + old_template_sequence, + mmcif_object.file_id, + template_chain_id, + new_template_sequence, + ) + ) + + new_query_to_template_mapping = {} + for query_index, old_template_index in old_mapping.items(): + new_query_to_template_mapping[query_index] = old_to_new_template_mapping.get( + old_template_index, -1 + ) + + new_template_sequence = new_template_sequence.replace("-", "") + + return new_template_sequence, new_query_to_template_mapping + + +def _check_residue_distances( + all_positions: np.ndarray, + all_positions_mask: np.ndarray, + max_ca_ca_distance: float, +): + """Checks if the distance between unmasked neighbor residues is ok.""" + ca_position = residue_constants.atom_order["CA"] + prev_is_unmasked = False + prev_calpha = None + for i, (coords, mask) in enumerate(zip(all_positions, all_positions_mask)): + this_is_unmasked = bool(mask[ca_position]) + if this_is_unmasked: + this_calpha = coords[ca_position] + if prev_is_unmasked: + distance = np.linalg.norm(this_calpha - prev_calpha) + if distance > max_ca_ca_distance: + raise CaDistanceError( + "The distance between residues %d and %d is %f > limit %f." + % (i, i + 1, distance, max_ca_ca_distance) + ) + prev_calpha = this_calpha + prev_is_unmasked = this_is_unmasked + + +def _get_atom_positions( + mmcif_object: mmcif_parsing.MmcifObject, + auth_chain_id: str, + max_ca_ca_distance: float, + _zero_center_positions: bool = False, +) -> Tuple[np.ndarray, np.ndarray]: + """Gets atom positions and mask from a list of Biopython Residues.""" + coords_with_mask = mmcif_parsing.get_atom_coords( + mmcif_object=mmcif_object, + chain_id=auth_chain_id, + _zero_center_positions=_zero_center_positions, + ) + all_atom_positions, all_atom_mask = coords_with_mask + _check_residue_distances(all_atom_positions, all_atom_mask, max_ca_ca_distance) + return all_atom_positions, all_atom_mask + + +@dataclasses.dataclass(frozen=True) +class PrefilterResult: + valid: bool + error: Optional[str] + warning: Optional[str] + + +@dataclasses.dataclass(frozen=True) +class SingleHitResult: + features: Optional[Mapping[str, Any]] + error: Optional[str] + warning: Optional[str] + + +def _prefilter_hit( + query_sequence: str, + hit: parsers.TemplateHit, + max_template_date: datetime.datetime, + release_dates: Mapping[str, datetime.datetime], + obsolete_pdbs: Mapping[str, str], + strict_error_check: bool = False, +): + # Fail hard if we can't get the PDB ID and chain name from the hit. + hit_pdb_code, hit_chain_id = _get_pdb_id_and_chain(hit) + + if hit_pdb_code not in release_dates: + if hit_pdb_code in obsolete_pdbs: + hit_pdb_code = obsolete_pdbs[hit_pdb_code] + + # Pass hit_pdb_code since it might have changed due to the pdb being + # obsolete. + try: + _assess_hhsearch_hit( + hit=hit, + hit_pdb_code=hit_pdb_code, + query_sequence=query_sequence, + release_dates=release_dates, + release_date_cutoff=max_template_date, + ) + except PrefilterError as e: + hit_name = f"{hit_pdb_code}_{hit_chain_id}" + msg = f"hit {hit_name} did not pass prefilter: {str(e)}" + logging.info(msg) + if strict_error_check and isinstance(e, (DateError, DuplicateError)): + # In strict mode we treat some prefilter cases as errors. + return PrefilterResult(valid=False, error=msg, warning=None) + + return PrefilterResult(valid=False, error=None, warning=None) + + return PrefilterResult(valid=True, error=None, warning=None) + + +@functools.lru_cache(16, typed=False) +def _read_file(path): + with open(path, "r") as f: + file_data = f.read() + + return file_data + + +@dataclasses.dataclass(frozen=True) +class TemplateSearchResult: + features: Mapping[str, Any] + errors: Sequence[str] + warnings: Sequence[str] diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/jackhmmer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/jackhmmer.py new file mode 100644 index 0000000000000000000000000000000000000000..342b7d2e7e18750d60c0a2e406ce0791e18d72f9 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/jackhmmer.py @@ -0,0 +1,245 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Library to run Jackhmmer from Python.""" + +import glob +import logging +import os +import subprocess +from concurrent import futures +from typing import Any, Callable, Mapping, Optional, Sequence +from urllib import request + +from protenix.openfold_local.data import parsers +from protenix.openfold_local.data.tools import utils + + +class Jackhmmer: + """Python wrapper of the Jackhmmer binary.""" + + def __init__( + self, + *, + binary_path: str, + database_path: str, + n_cpu: int = 8, + n_iter: int = 1, + e_value: float = 0.0001, + z_value: Optional[int] = None, + get_tblout: bool = False, + filter_f1: float = 0.0005, + filter_f2: float = 0.00005, + filter_f3: float = 0.0000005, + incdom_e: Optional[float] = None, + dom_e: Optional[float] = None, + num_streamed_chunks: Optional[int] = None, + streaming_callback: Optional[Callable[[int], None]] = None, + ): + """Initializes the Python Jackhmmer wrapper. + + Args: + binary_path: The path to the jackhmmer executable. + database_path: The path to the jackhmmer database (FASTA format). + n_cpu: The number of CPUs to give Jackhmmer. + n_iter: The number of Jackhmmer iterations. + e_value: The E-value, see Jackhmmer docs for more details. + z_value: The Z-value, see Jackhmmer docs for more details. + get_tblout: Whether to save tblout string. + filter_f1: MSV and biased composition pre-filter, set to >1.0 to turn off. + filter_f2: Viterbi pre-filter, set to >1.0 to turn off. + filter_f3: Forward pre-filter, set to >1.0 to turn off. + incdom_e: Domain e-value criteria for inclusion of domains in MSA/next + round. + dom_e: Domain e-value criteria for inclusion in tblout. + num_streamed_chunks: Number of database chunks to stream over. + streaming_callback: Callback function run after each chunk iteration with + the iteration number as argument. + """ + self.binary_path = binary_path + self.database_path = database_path + self.num_streamed_chunks = num_streamed_chunks + + if not os.path.exists(self.database_path) and num_streamed_chunks is None: + logging.error("Could not find Jackhmmer database %s", database_path) + raise ValueError(f"Could not find Jackhmmer database {database_path}") + + self.n_cpu = n_cpu + self.n_iter = n_iter + self.e_value = e_value + self.z_value = z_value + self.filter_f1 = filter_f1 + self.filter_f2 = filter_f2 + self.filter_f3 = filter_f3 + self.incdom_e = incdom_e + self.dom_e = dom_e + self.get_tblout = get_tblout + self.streaming_callback = streaming_callback + + def _query_chunk( + self, + input_fasta_path: str, + database_path: str, + max_sequences: Optional[int] = None, + ) -> Mapping[str, Any]: + """Queries the database chunk using Jackhmmer.""" + with utils.tmpdir_manager() as query_tmp_dir: + sto_path = os.path.join(query_tmp_dir, "output.sto") + + # The F1/F2/F3 are the expected proportion to pass each of the filtering + # stages (which get progressively more expensive), reducing these + # speeds up the pipeline at the expensive of sensitivity. They are + # currently set very low to make querying Mgnify run in a reasonable + # amount of time. + cmd_flags = [ + # Don't pollute stdout with Jackhmmer output. + "-o", + "/dev/null", + "-A", + sto_path, + "--noali", + "--F1", + str(self.filter_f1), + "--F2", + str(self.filter_f2), + "--F3", + str(self.filter_f3), + "--incE", + str(self.e_value), + # Report only sequences with E-values <= x in per-sequence output. + "-E", + str(self.e_value), + "--cpu", + str(self.n_cpu), + "-N", + str(self.n_iter), + ] + if self.get_tblout: + tblout_path = os.path.join(query_tmp_dir, "tblout.txt") + cmd_flags.extend(["--tblout", tblout_path]) + + if self.z_value: + cmd_flags.extend(["-Z", str(self.z_value)]) + + if self.dom_e is not None: + cmd_flags.extend(["--domE", str(self.dom_e)]) + + if self.incdom_e is not None: + cmd_flags.extend(["--incdomE", str(self.incdom_e)]) + + cmd = [self.binary_path] + cmd_flags + [input_fasta_path, database_path] + + logging.info('Launching subprocess "%s"', " ".join(cmd)) + process = subprocess.Popen( + cmd, stdout=subprocess.PIPE, stderr=subprocess.PIPE + ) + with utils.timing(f"Jackhmmer ({os.path.basename(database_path)}) query"): + _, stderr = process.communicate() + retcode = process.wait() + + if retcode: + raise RuntimeError( + "Jackhmmer failed\nstderr:\n%s\n" % stderr.decode("utf-8") + ) + + # Get e-values for each target name + tbl = "" + if self.get_tblout: + with open(tblout_path) as f: + tbl = f.read() + + if max_sequences is None: + with open(sto_path) as f: + sto = f.read() + else: + sto = parsers.truncate_stockholm_msa(sto_path, max_sequences) + + raw_output = dict( + sto=sto, + tbl=tbl, + stderr=stderr, + n_iter=self.n_iter, + e_value=self.e_value, + ) + + return raw_output + + def query( + self, input_fasta_path: str, max_sequences: Optional[int] = None + ) -> Sequence[Sequence[Mapping[str, Any]]]: + return self.query_multiple([input_fasta_path], max_sequences) + + def query_multiple( + self, input_fasta_paths: Sequence[str], max_sequences: Optional[int] = None + ) -> Sequence[Sequence[Mapping[str, Any]]]: + """Queries the database using Jackhmmer.""" + if self.num_streamed_chunks is None: + single_chunk_results = [] + for input_fasta_path in input_fasta_paths: + single_chunk_result = self._query_chunk( + input_fasta_path, + self.database_path, + max_sequences, + ) + single_chunk_results.append(single_chunk_result) + return single_chunk_results + + db_basename = os.path.basename(self.database_path) + db_remote_chunk = lambda db_idx: f"{self.database_path}.{db_idx}" + db_local_chunk = lambda db_idx: f"/tmp/ramdisk/{db_basename}.{db_idx}" + + # Remove existing files to prevent OOM + for f in glob.glob(db_local_chunk("[0-9]*")): + try: + os.remove(f) + except OSError: + print(f"OSError while deleting {f}") + + # Download the (i+1)-th chunk while Jackhmmer is running on the i-th chunk + with futures.ThreadPoolExecutor(max_workers=2) as executor: + chunked_outputs = [[] for _ in range(len(input_fasta_paths))] + for i in range(1, self.num_streamed_chunks + 1): + # Copy the chunk locally + if i == 1: + future = executor.submit( + request.urlretrieve, + db_remote_chunk(i), + db_local_chunk(i), + ) + if i < self.num_streamed_chunks: + next_future = executor.submit( + request.urlretrieve, + db_remote_chunk(i + 1), + db_local_chunk(i + 1), + ) + + # Run Jackhmmer with the chunk + future.result() + for fasta_idx, input_fasta_path in enumerate(input_fasta_paths): + chunked_outputs[fasta_idx].append( + self._query_chunk( + input_fasta_path, db_local_chunk(i), max_sequences + ) + ) + + # Remove the local copy of the chunk + os.remove(db_local_chunk(i)) + # Do not set next_future for the last chunk so that this works + # even for databases with only 1 chunk + if i < self.num_streamed_chunks: + future = next_future + if self.streaming_callback: + self.streaming_callback(i) + return chunked_outputs diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..7ebaafabcc6da93164d9cb7b01a60fe085275ac4 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/data/tools/utils.py @@ -0,0 +1,46 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Common utilities for data pipeline tools.""" +import contextlib +import datetime +import logging +import shutil +import tempfile +import time +from typing import Optional + + +@contextlib.contextmanager +def tmpdir_manager(base_dir: Optional[str] = None): + """Context manager that deletes a temporary directory on exit.""" + tmpdir = tempfile.mkdtemp(dir=base_dir) + try: + yield tmpdir + finally: + shutil.rmtree(tmpdir, ignore_errors=True) + + +@contextlib.contextmanager +def timing(msg: str): + logging.info("Started %s", msg) + tic = time.perf_counter() + yield + toc = time.perf_counter() + logging.info("Finished %s in %.3f seconds", msg, toc - tic) + + +def to_date(s: str): + return datetime.datetime(year=int(s[:4]), month=int(s[5:7]), day=int(s[8:10])) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/dropout.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/dropout.py new file mode 100644 index 0000000000000000000000000000000000000000..651b9775ef44fba20dec75c60703f00beac66e0c --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/dropout.py @@ -0,0 +1,78 @@ +# Copyright 2021 AlQuraishi Laboratory +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + + +import torch +import torch.nn as nn +from functools import partialmethod +from typing import Union, List + + +class Dropout(nn.Module): + """ + Implementation of dropout with the ability to share the dropout mask + along a particular dimension. + + If not in training mode, this module computes the identity function. + """ + + def __init__(self, r: float, batch_dim: Union[int, List[int]]): + """ + Args: + r: + Dropout rate + batch_dim: + Dimension(s) along which the dropout mask is shared + """ + super(Dropout, self).__init__() + + self.r = r + if type(batch_dim) == int: + batch_dim = [batch_dim] + self.batch_dim = batch_dim + self.dropout = nn.Dropout(self.r) + + def forward(self, x: torch.Tensor) -> torch.Tensor: + """ + Args: + x: + Tensor to which dropout is applied. Can have any shape + compatible with self.batch_dim + """ + shape = list(x.shape) + if self.batch_dim is not None: + for bd in self.batch_dim: + shape[bd] = 1 + mask = x.new_ones(shape) + mask = self.dropout(mask) + x *= mask + return x + + +class DropoutRowwise(Dropout): + """ + Convenience class for rowwise dropout as described in subsection + 1.11.6. + """ + + __init__ = partialmethod(Dropout.__init__, batch_dim=-3) + + +class DropoutColumnwise(Dropout): + """ + Convenience class for columnwise dropout as described in subsection + 1.11.6. + """ + + __init__ = partialmethod(Dropout.__init__, batch_dim=-2) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/outer_product_mean.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/outer_product_mean.py new file mode 100644 index 0000000000000000000000000000000000000000..e3a3c15097e731b85b3199ca8bc2e98aa5c6a3a7 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/outer_product_mean.py @@ -0,0 +1,156 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from functools import partial +from typing import Optional + +import torch +import torch.nn as nn + +from protenix.openfold_local.model.primitives import Linear +from protenix.openfold_local.utils.chunk_utils import chunk_layer +from protenix.openfold_local.utils.precision_utils import is_fp16_enabled + + +class OuterProductMean(nn.Module): + """ + Implements Algorithm 10. + """ + + def __init__(self, c_m, c_z, c_hidden, eps=1e-3): + """ + Args: + c_m: + MSA embedding channel dimension + c_z: + Pair embedding channel dimension + c_hidden: + Hidden channel dimension + """ + super(OuterProductMean, self).__init__() + + self.c_m = c_m + self.c_z = c_z + self.c_hidden = c_hidden + self.eps = eps + + self.layer_norm = nn.LayerNorm(c_m) + self.linear_1 = Linear(c_m, c_hidden) + self.linear_2 = Linear(c_m, c_hidden) + self.linear_out = Linear(c_hidden**2, c_z, init="final") + + def _opm(self, a, b): + # [*, N_res, N_res, C, C] + outer = torch.einsum("...bac,...dae->...bdce", a, b) + + # [*, N_res, N_res, C * C] + outer = outer.reshape(outer.shape[:-2] + (-1,)) + + # [*, N_res, N_res, C_z] + outer = self.linear_out(outer) + + return outer + + @torch.jit.ignore + def _chunk(self, a: torch.Tensor, b: torch.Tensor, chunk_size: int) -> torch.Tensor: + # Since the "batch dim" in this case is not a true batch dimension + # (in that the shape of the output depends on it), we need to + # iterate over it ourselves + a_reshape = a.reshape((-1,) + a.shape[-3:]) + b_reshape = b.reshape((-1,) + b.shape[-3:]) + out = [] + for a_prime, b_prime in zip(a_reshape, b_reshape): + outer = chunk_layer( + partial(self._opm, b=b_prime), + {"a": a_prime}, + chunk_size=chunk_size, + no_batch_dims=1, + ) + out.append(outer) + + # For some cursed reason making this distinction saves memory + if len(out) == 1: + outer = out[0].unsqueeze(0) + else: + outer = torch.stack(out, dim=0) + + outer = outer.reshape(a.shape[:-3] + outer.shape[1:]) + + return outer + + def _forward( + self, + m: torch.Tensor, + mask: Optional[torch.Tensor] = None, + chunk_size: Optional[int] = None, + inplace_safe: bool = False, + ) -> torch.Tensor: + """ + Args: + m: + [*, N_seq, N_res, C_m] MSA embedding + mask: + [*, N_seq, N_res] MSA mask + Returns: + [*, N_res, N_res, C_z] pair embedding update + """ + if mask is None: + mask = m.new_ones(m.shape[:-1]) + + # [*, N_seq, N_res, C_m] + ln = self.layer_norm(m) + + # [*, N_seq, N_res, C] + mask = mask.unsqueeze(-1) + a = self.linear_1(ln) + a = a * mask + + b = self.linear_2(ln) + b = b * mask + + del ln + + a = a.transpose(-2, -3) + b = b.transpose(-2, -3) + + if chunk_size is not None: + outer = self._chunk(a, b, chunk_size) + else: + outer = self._opm(a, b) + + # [*, N_res, N_res, 1] + norm = torch.einsum("...abc,...adc->...bdc", mask, mask) + norm = norm + self.eps + + # [*, N_res, N_res, C_z] + if inplace_safe: + outer /= norm + else: + outer = outer / norm + + return outer + + def forward( + self, + m: torch.Tensor, + mask: Optional[torch.Tensor] = None, + chunk_size: Optional[int] = None, + inplace_safe: bool = False, + ) -> torch.Tensor: + if is_fp16_enabled(): + with torch.cuda.amp.autocast(enabled=False): + return self._forward(m.float(), mask, chunk_size, inplace_safe) + else: + return self._forward(m, mask, chunk_size, inplace_safe) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/primitives.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/primitives.py new file mode 100644 index 0000000000000000000000000000000000000000..1d0fb68d34cd1acf5cd85e7197884ab2c9bdd1f6 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/primitives.py @@ -0,0 +1,859 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import importlib +import math +import os +from typing import Callable, List, Optional, Tuple + +import numpy as np + +deepspeed_is_installed = importlib.util.find_spec("deepspeed") is not None +ds4s_is_installed = ( + deepspeed_is_installed + and importlib.util.find_spec("deepspeed.ops.deepspeed4science") is not None +) +if deepspeed_is_installed: + import deepspeed + +if ds4s_is_installed: + from deepspeed.ops.deepspeed4science import DS4Sci_EvoformerAttention + +fa_is_installed = importlib.util.find_spec("flash_attn") is not None +if fa_is_installed: + from flash_attn.bert_padding import unpad_input + from flash_attn.flash_attn_interface import flash_attn_unpadded_kvpacked_func + +fastln_is_installed = os.getenv("LAYERNORM_TYPE", None) == "fast_layernorm" +if fastln_is_installed: + # LayerNorm is a time bottomneck, so we use a custom implementation. + from protenix.model.layer_norm.layer_norm import FusedLayerNorm + +import torch +import torch.nn as nn +from scipy.stats import truncnorm + +from protenix.openfold_local.utils.checkpointing import get_checkpoint_fn +from protenix.openfold_local.utils.precision_utils import is_fp16_enabled +from protenix.openfold_local.utils.tensor_utils import ( + flatten_final_dims, + permute_final_dims, +) + +DEFAULT_LMA_Q_CHUNK_SIZE = 1024 +DEFAULT_LMA_KV_CHUNK_SIZE = 4096 + + +def _prod(nums): + out = 1 + for n in nums: + out = out * n + return out + + +def _calculate_fan(linear_weight_shape, fan="fan_in"): + fan_out, fan_in = linear_weight_shape + + if fan == "fan_in": + f = fan_in + elif fan == "fan_out": + f = fan_out + elif fan == "fan_avg": + f = (fan_in + fan_out) / 2 + else: + raise ValueError("Invalid fan option") + + return f + + +def trunc_normal_init_(weights, scale=1.0, fan="fan_in"): + shape = weights.shape + f = _calculate_fan(shape, fan) + scale = scale / max(1, f) + a = -2 + b = 2 + std = math.sqrt(scale) / truncnorm.std(a=a, b=b, loc=0, scale=1) + size = _prod(shape) + samples = truncnorm.rvs(a=a, b=b, loc=0, scale=std, size=size) + samples = np.reshape(samples, shape) + with torch.no_grad(): + weights.copy_(torch.tensor(samples, device=weights.device)) + + +def lecun_normal_init_(weights): + trunc_normal_init_(weights, scale=1.0) + + +def he_normal_init_(weights): + trunc_normal_init_(weights, scale=2.0) + + +def glorot_uniform_init_(weights): + nn.init.xavier_uniform_(weights, gain=1) + + +def final_init_(weights): + with torch.no_grad(): + weights.fill_(0.0) + + +def gating_init_(weights): + with torch.no_grad(): + weights.fill_(0.0) + + +def normal_init_(weights): + torch.nn.init.kaiming_normal_(weights, nonlinearity="linear") + + +def ipa_point_weights_init_(weights): + with torch.no_grad(): + softplus_inverse_1 = 0.541324854612918 + weights.fill_(softplus_inverse_1) + + +class Linear(nn.Linear): + """ + A Linear layer with built-in nonstandard initializations. Called just + like torch.nn.Linear. + + Implements the initializers in 1.11.4, plus some additional ones found + in the code. + """ + + def __init__( + self, + in_dim: int, + out_dim: int, + bias: bool = True, + init: str = "default", + init_fn: Optional[Callable[[torch.Tensor, torch.Tensor], None]] = None, + precision=None, + ): + """ + Args: + in_dim: + The final dimension of inputs to the layer + out_dim: + The final dimension of layer outputs + bias: + Whether to learn an additive bias. True by default + init: + The initializer to use. Choose from: + + "default": LeCun fan-in truncated normal initialization + "relu": He initialization w/ truncated normal distribution + "glorot": Fan-average Glorot uniform initialization + "gating": Weights=0, Bias=1 + "normal": Normal initialization with std=1/sqrt(fan_in) + "final": Weights=0, Bias=0 + + Overridden by init_fn if the latter is not None. + init_fn: + A custom initializer taking weight and bias as inputs. + Overrides init if not None. + """ + super(Linear, self).__init__(in_dim, out_dim, bias=bias) + + if bias: + with torch.no_grad(): + self.bias.fill_(0) + + with torch.no_grad(): + if init_fn is not None: + init_fn(self.weight, self.bias) + else: + if init == "default": + lecun_normal_init_(self.weight) + elif init == "relu": + he_normal_init_(self.weight) + elif init == "glorot": + glorot_uniform_init_(self.weight) + elif init == "gating": + gating_init_(self.weight) + if bias: + self.bias.fill_(1.0) + elif init == "normal": + normal_init_(self.weight) + elif init == "final": + final_init_(self.weight) + else: + raise ValueError("Invalid init string.") + + self.precision = precision + + def forward(self, input: torch.Tensor) -> torch.Tensor: + d = input.dtype + deepspeed_is_initialized = ( + deepspeed_is_installed and deepspeed.comm.comm.is_initialized() + ) + if self.precision is not None: + with torch.cuda.amp.autocast(enabled=False): + bias = ( + self.bias.to(dtype=self.precision) + if self.bias is not None + else None + ) + return nn.functional.linear( + input.to(dtype=self.precision), + self.weight.to(dtype=self.precision), + bias, + ).to(dtype=d) + + if d is torch.bfloat16 and not deepspeed_is_initialized: + with torch.cuda.amp.autocast(enabled=False): + bias = self.bias.to(dtype=d) if self.bias is not None else None + return nn.functional.linear(input, self.weight.to(dtype=d), bias) + + return nn.functional.linear(input, self.weight, self.bias) + + +class OpenFoldLayerNorm(nn.Module): + def __init__(self, c_in, eps=1e-5): + super(OpenFoldLayerNorm, self).__init__() + + self.c_in = (c_in,) + self.eps = eps + + self.weight = nn.Parameter(torch.ones(c_in)) + self.bias = nn.Parameter(torch.zeros(c_in)) + + def forward(self, x): + d = x.dtype + deepspeed_is_initialized = ( + deepspeed_is_installed and deepspeed.comm.comm.is_initialized() + ) + if d is torch.bfloat16 and not deepspeed_is_initialized: + with torch.cuda.amp.autocast(enabled=False): + out = nn.functional.layer_norm( + x, + self.c_in, + self.weight.to(dtype=d), + self.bias.to(dtype=d), + self.eps, + ) + else: + out = nn.functional.layer_norm( + x, + self.c_in, + self.weight, + self.bias, + self.eps, + ) + + return out + + +# Keep the function name for code simplicity +def LayerNorm(c_in, eps: float = 1e-5): + # if specify "fast_layernorm" and fastln_is_installed, use the FusedLayerNorm, + # Otherwise, OpenFoldLayerNorm is used! + if fastln_is_installed: + # print("use fast layernorm") + return FusedLayerNorm(c_in, eps) + # print("use openfold layernorm") + return OpenFoldLayerNorm(c_in, eps) + + +@torch.jit.ignore +def softmax_no_cast(t: torch.Tensor, dim: int = -1) -> torch.Tensor: + """ + Softmax, but without automatic casting to fp32 when the input is of + type bfloat16 + """ + d = t.dtype + deepspeed_is_initialized = ( + deepspeed_is_installed and deepspeed.comm.comm.is_initialized() + ) + if d is torch.bfloat16 and not deepspeed_is_initialized: + with torch.cuda.amp.autocast(enabled=False): + s = torch.nn.functional.softmax(t, dim=dim) + else: + s = torch.nn.functional.softmax(t, dim=dim) + + return s + + +# @torch.jit.script +def _attention( + query: torch.Tensor, + key: torch.Tensor, + value: torch.Tensor, + biases: List[torch.Tensor], +) -> torch.Tensor: + # [*, H, C_hidden, K] + key = permute_final_dims(key, (1, 0)) + + # [*, H, Q, K] + a = torch.matmul(query, key) + + for b in biases: + a += b + + a = softmax_no_cast(a, -1) + + # [*, H, Q, C_hidden] + a = torch.matmul(a, value) + + return a + + +@torch.jit.ignore +def _attention_chunked_trainable( + query, + key, + value, + biases, + chunk_size, + chunk_dim, + checkpoint, +): + if checkpoint and len(biases) > 2: + raise ValueError("Checkpointed version permits only permits two bias terms") + + def _checkpointable_attention(q, k, v, b1, b2): + bs = [b for b in [b1, b2] if b is not None] + a = _attention(q, k, v, bs) + return a + + o_chunks = [] + checkpoint_fn = get_checkpoint_fn() + count = query.shape[chunk_dim] + for start in range(0, count, chunk_size): + end = start + chunk_size + idx = [slice(None)] * len(query.shape) + idx[chunk_dim] = slice(start, end) + idx_tup = tuple(idx) + q_chunk = query[idx_tup] + k_chunk = key[idx_tup] + v_chunk = value[idx_tup] + + def _slice_bias(b): + idx[chunk_dim] = ( + slice(start, end) if b.shape[chunk_dim] != 1 else slice(None) + ) + return b[tuple(idx)] + + if checkpoint: + bias_1_chunk, bias_2_chunk = [ + _slice_bias(b) if b is not None else None + for b in (biases + [None, None])[:2] + ] + + o_chunk = checkpoint_fn( + _checkpointable_attention, + q_chunk, + k_chunk, + v_chunk, + bias_1_chunk, + bias_2_chunk, + ) + else: + bias_chunks = [_slice_bias(b) for b in biases] + + o_chunk = _attention(q_chunk, k_chunk, v_chunk, bias_chunks) + + o_chunk = o_chunk.transpose(-2, -3) + o_chunks.append(o_chunk) + + o = torch.cat(o_chunks, dim=chunk_dim) + return o + + +class Attention(nn.Module): + """ + Standard multi-head attention using AlphaFold's default layer + initialization. Allows multiple bias vectors. + """ + + def __init__( + self, + c_q: int, + c_k: int, + c_v: int, + c_hidden: int, + no_heads: int, + gating: bool = True, + ): + """ + Args: + c_q: + Input dimension of query data + c_k: + Input dimension of key data + c_v: + Input dimension of value data + c_hidden: + Per-head hidden dimension + no_heads: + Number of attention heads + gating: + Whether the output should be gated using query data + """ + super(Attention, self).__init__() + + self.c_q = c_q + self.c_k = c_k + self.c_v = c_v + self.c_hidden = c_hidden + self.no_heads = no_heads + self.gating = gating + + # DISCREPANCY: c_hidden is not the per-head channel dimension, as + # stated in the supplement, but the overall channel dimension. + + self.linear_q = Linear( + self.c_q, self.c_hidden * self.no_heads, bias=False, init="glorot" + ) + self.linear_k = Linear( + self.c_k, self.c_hidden * self.no_heads, bias=False, init="glorot" + ) + self.linear_v = Linear( + self.c_v, self.c_hidden * self.no_heads, bias=False, init="glorot" + ) + self.linear_o = Linear(self.c_hidden * self.no_heads, self.c_q, init="final") + + self.linear_g = None + if self.gating: + self.linear_g = Linear( + self.c_q, self.c_hidden * self.no_heads, init="gating" + ) + + self.sigmoid = nn.Sigmoid() + + def _prep_qkv( + self, q_x: torch.Tensor, kv_x: torch.Tensor, apply_scale: bool = True + ) -> Tuple[torch.Tensor, torch.Tensor, torch.Tensor]: + # [*, Q/K/V, H * C_hidden] + q = self.linear_q(q_x) + k = self.linear_k(kv_x) + v = self.linear_v(kv_x) + + # [*, Q/K, H, C_hidden] + q = q.view(q.shape[:-1] + (self.no_heads, -1)) + k = k.view(k.shape[:-1] + (self.no_heads, -1)) + v = v.view(v.shape[:-1] + (self.no_heads, -1)) + + # [*, H, Q/K, C_hidden] + q = q.transpose(-2, -3) + k = k.transpose(-2, -3) + v = v.transpose(-2, -3) + + if apply_scale: + q /= math.sqrt(self.c_hidden) + + return q, k, v + + def _wrap_up(self, o: torch.Tensor, q_x: torch.Tensor) -> torch.Tensor: + if self.linear_g is not None: + g = self.sigmoid(self.linear_g(q_x)) + + # [*, Q, H, C_hidden] + g = g.view(g.shape[:-1] + (self.no_heads, -1)) + o = o * g + + # [*, Q, H * C_hidden] + o = flatten_final_dims(o, 2) + + # [*, Q, C_q] + o = self.linear_o(o) + + return o + + def forward( + self, + q_x: torch.Tensor, + kv_x: torch.Tensor, + biases: Optional[List[torch.Tensor]] = None, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + lma_q_chunk_size: int = DEFAULT_LMA_Q_CHUNK_SIZE, + lma_kv_chunk_size: int = DEFAULT_LMA_KV_CHUNK_SIZE, + use_flash: bool = False, + flash_mask: Optional[torch.Tensor] = None, + ) -> torch.Tensor: + """ + Args: + q_x: + [*, Q, C_q] query data + kv_x: + [*, K, C_k] key data + biases: + List of biases that broadcast to [*, H, Q, K] + use_memory_efficient_kernel: + Whether to use a custom memory-efficient attention kernel. + This should be the default choice for most. If none of the + "use_<...>" flags are True, a stock PyTorch implementation + is used instead + use_deepspeed_evo_attention: + Whether to use DeepSpeed memory-efficient attention kernel. + If none of the "use_<...>" flags are True, a stock PyTorch + implementation is used instead + use_lma: + Whether to use low-memory attention (Staats & Rabe 2021). If + none of the "use_<...>" flags are True, a stock PyTorch + implementation is used instead + lma_q_chunk_size: + Query chunk size (for LMA) + lma_kv_chunk_size: + Key/Value chunk size (for LMA) + Returns + [*, Q, C_q] attention update + """ + if use_lma and (lma_q_chunk_size is None or lma_kv_chunk_size is None): + raise ValueError( + "If use_lma is specified, lma_q_chunk_size and " + "lma_kv_chunk_size must be provided" + ) + + if use_flash and biases is not None: + raise ValueError( + "use_flash is incompatible with the bias option. For masking, " + "use flash_mask instead" + ) + + attn_options = [ + use_memory_efficient_kernel, + use_deepspeed_evo_attention, + use_lma, + use_flash, + ] + if sum(attn_options) > 1: + raise ValueError("Choose at most one alternative attention algorithm") + + if biases is None: + biases = [] + + # DeepSpeed attention kernel applies scaling internally + q, k, v = self._prep_qkv(q_x, kv_x, apply_scale=not use_deepspeed_evo_attention) + + if is_fp16_enabled(): + use_memory_efficient_kernel = False + + if use_memory_efficient_kernel: + raise Exception(f"use_memory_efficient_kernel=True not supported!!!") + if len(biases) > 2: + raise ValueError( + "If use_memory_efficient_kernel is True, you may only " + "provide up to two bias terms" + ) + o = attention_core(q, k, v, *((biases + [None] * 2)[:2])) + o = o.transpose(-2, -3) + elif use_deepspeed_evo_attention: + if len(biases) > 2: + raise ValueError( + "If use_deepspeed_evo_attention is True, you may only " + "provide up to two bias terms" + ) + o = _deepspeed_evo_attn(q, k, v, biases) + elif use_lma: + biases = [ + b.expand(b.shape[:-2] + (q_x.shape[-2],) + (kv_x.shape[-2],)) + for b in biases + ] + o = _lma(q, k, v, biases, lma_q_chunk_size, lma_kv_chunk_size) + o = o.transpose(-2, -3) + elif use_flash: + o = _flash_attn(q, k, v, flash_mask) + else: + o = _attention(q, k, v, biases) + o = o.transpose(-2, -3) + + o = self._wrap_up(o, q_x) + + return o + + +class GlobalAttention(nn.Module): + def __init__(self, c_in, c_hidden, no_heads, inf, eps): + super(GlobalAttention, self).__init__() + + self.c_in = c_in + self.c_hidden = c_hidden + self.no_heads = no_heads + self.inf = inf + self.eps = eps + + self.linear_q = Linear(c_in, c_hidden * no_heads, bias=False, init="glorot") + + self.linear_k = Linear( + c_in, + c_hidden, + bias=False, + init="glorot", + ) + self.linear_v = Linear( + c_in, + c_hidden, + bias=False, + init="glorot", + ) + self.linear_g = Linear(c_in, c_hidden * no_heads, init="gating") + self.linear_o = Linear(c_hidden * no_heads, c_in, init="final") + + self.sigmoid = nn.Sigmoid() + + def forward( + self, + m: torch.Tensor, + mask: torch.Tensor, + use_lma: bool = False, + ) -> torch.Tensor: + # [*, N_res, C_in] + q = torch.sum(m * mask.unsqueeze(-1), dim=-2) / ( + torch.sum(mask, dim=-1)[..., None] + self.eps + ) + + # [*, N_res, H * C_hidden] + q = self.linear_q(q) + q *= self.c_hidden ** (-0.5) + + # [*, N_res, H, C_hidden] + q = q.view(q.shape[:-1] + (self.no_heads, -1)) + + # [*, N_res, N_seq, C_hidden] + k = self.linear_k(m) + v = self.linear_v(m) + + bias = (self.inf * (mask - 1))[..., :, None, :] + if not use_lma: + # [*, N_res, H, N_seq] + a = torch.matmul( + q, + k.transpose(-1, -2), # [*, N_res, C_hidden, N_seq] + ) + a += bias + a = softmax_no_cast(a) + + # [*, N_res, H, C_hidden] + o = torch.matmul( + a, + v, + ) + else: + o = _lma( + q, k, v, [bias], DEFAULT_LMA_Q_CHUNK_SIZE, DEFAULT_LMA_KV_CHUNK_SIZE + ) + + # [*, N_res, N_seq, C_hidden] + g = self.sigmoid(self.linear_g(m)) + + # [*, N_res, N_seq, H, C_hidden] + g = g.view(g.shape[:-1] + (self.no_heads, -1)) + + # [*, N_res, N_seq, H, C_hidden] + o = o.unsqueeze(-3) * g + + # [*, N_res, N_seq, H * C_hidden] + o = o.reshape(o.shape[:-2] + (-1,)) + + # [*, N_res, N_seq, C_in] + m = self.linear_o(o) + + return m + + +@torch.jit.ignore +def _deepspeed_evo_attn( + q: torch.Tensor, + k: torch.Tensor, + v: torch.Tensor, + biases: List[torch.Tensor], +): + """ "" + Compute attention using the DeepSpeed DS4Sci_EvoformerAttention kernel. + + Args: + q: + [*, H, Q, C_hidden] query data + k: + [*, H, K, C_hidden] key data + v: + [*, H, V, C_hidden] value data + biases: + List of biases that broadcast to [*, H, Q, K] + """ + + if not ds4s_is_installed: + raise ValueError( + "_deepspeed_evo_attn requires that DeepSpeed be installed " + "and that the deepspeed.ops.deepspeed4science package exists" + ) + + def reshape_dims(x): + no_batch_dims = len(x.shape[:-3]) + if no_batch_dims < 2: + return x.reshape(*((1,) * (2 - no_batch_dims) + x.shape)) + if no_batch_dims > 2: + return x.reshape(*((x.shape[0], -1) + x.shape[-3:])) + return x + + # [*, Q/K, H, C_hidden] + q = q.transpose(-2, -3) + k = k.transpose(-2, -3) + v = v.transpose(-2, -3) + + # Reshape tensors to match expected input shape [B, N, Q/K, H, C_hidden] + # for DS4Sci_EvoformerAttention() by adding or flattening batch dims as needed. + orig_shape = q.shape + if len(orig_shape[:-3]) != 2: + q = reshape_dims(q) + k = reshape_dims(k) + v = reshape_dims(v) + biases = [reshape_dims(b) for b in biases] + + # DeepSpeed attn. kernel requires inputs to be type bf16 or fp16 + # Cast to bf16 so kernel can be used during inference + orig_dtype = q.dtype + if orig_dtype not in [torch.bfloat16, torch.float16]: + o = DS4Sci_EvoformerAttention( + q.to(dtype=torch.bfloat16), + k.to(dtype=torch.bfloat16), + v.to(dtype=torch.bfloat16), + [b.to(dtype=torch.bfloat16) for b in biases], + ) + + o = o.to(dtype=orig_dtype) + else: + o = DS4Sci_EvoformerAttention(q, k, v, biases) + + o = o.reshape(orig_shape) + return o + + +def _lma( + q: torch.Tensor, + k: torch.Tensor, + v: torch.Tensor, + biases: List[torch.Tensor], + q_chunk_size: int, + kv_chunk_size: int, +): + no_q, no_kv = q.shape[-2], k.shape[-2] + + # [*, H, Q, C_hidden] + o = q.new_zeros(q.shape) + for q_s in range(0, no_q, q_chunk_size): + q_chunk = q[..., q_s : q_s + q_chunk_size, :] + large_bias_chunks = [b[..., q_s : q_s + q_chunk_size, :] for b in biases] + + maxes = [] + weights = [] + values = [] + for kv_s in range(0, no_kv, kv_chunk_size): + k_chunk = k[..., kv_s : kv_s + kv_chunk_size, :] + v_chunk = v[..., kv_s : kv_s + kv_chunk_size, :] + small_bias_chunks = [ + b[..., kv_s : kv_s + kv_chunk_size] for b in large_bias_chunks + ] + + a = torch.einsum( + "...hqd,...hkd->...hqk", + q_chunk, + k_chunk, + ) + + for b in small_bias_chunks: + a += b + + max_a = torch.max(a, dim=-1, keepdim=True)[0] + exp_a = torch.exp(a - max_a) + exp_v = torch.einsum("...hvf,...hqv->...hqf", v_chunk, exp_a) + + maxes.append(max_a.detach().squeeze(-1)) + weights.append(torch.sum(exp_a, dim=-1)) + values.append(exp_v) + + chunk_max = torch.stack(maxes, dim=-3) + chunk_weights = torch.stack(weights, dim=-3) + chunk_values = torch.stack(values, dim=-4) + + global_max = torch.max(chunk_max, dim=-3, keepdim=True)[0] + max_diffs = torch.exp(chunk_max - global_max) + chunk_values = chunk_values * max_diffs.unsqueeze(-1) + chunk_weights = chunk_weights * max_diffs + + all_values = torch.sum(chunk_values, dim=-4) + all_weights = torch.sum(chunk_weights.unsqueeze(-1), dim=-4) + + q_chunk_out = all_values / all_weights + + o[..., q_s : q_s + q_chunk_size, :] = q_chunk_out + + return o + + +@torch.jit.ignore +def _flash_attn(q, k, v, kv_mask): + if not fa_is_installed: + raise ValueError("_flash_attn requires that FlashAttention be installed") + + batch_dims = q.shape[:-3] + no_heads, n, c = q.shape[-3:] + dtype = q.dtype + + q = q.half() + k = k.half() + v = v.half() + kv_mask = kv_mask.half() + + # [*, B, N, H, C] + q = q.transpose(-2, -3) + k = k.transpose(-2, -3) + v = v.transpose(-2, -3) + + # [B_flat, N, H, C] + q = q.reshape(-1, *q.shape[-3:]) + k = k.reshape(-1, *k.shape[-3:]) + v = v.reshape(-1, *v.shape[-3:]) + + # Flattened batch size + batch_size = q.shape[0] + + # [B_flat * N, H, C] + q = q.reshape(-1, *q.shape[-2:]) + + q_max_s = n + q_cu_seqlens = torch.arange( + 0, (batch_size + 1) * n, step=n, dtype=torch.int32, device=q.device + ) + + # [B_flat, N, 2, H, C] + kv = torch.stack([k, v], dim=-3) + kv_shape = kv.shape + + # [B_flat, N, 2 * H * C] + kv = kv.reshape(*kv.shape[:-3], -1) + + kv_unpad, _, kv_cu_seqlens, kv_max_s = unpad_input(kv, kv_mask) + kv_unpad = kv_unpad.reshape(-1, *kv_shape[-3:]) + + out = flash_attn_unpadded_kvpacked_func( + q, + kv_unpad, + q_cu_seqlens, + kv_cu_seqlens, + q_max_s, + kv_max_s, + dropout_p=0.0, + softmax_scale=1.0, # q has been scaled already + ) + + # [*, B, N, H, C] + out = out.reshape(*batch_dims, n, no_heads, c) + + out = out.to(dtype=dtype) + + return out diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/triangular_attention.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/triangular_attention.py new file mode 100644 index 0000000000000000000000000000000000000000..205f018e5ab3a8ebfc43735934278d934b6a8941 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/triangular_attention.py @@ -0,0 +1,163 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from functools import partialmethod, partial +from typing import Optional, List + +import torch +import torch.nn as nn + +from protenix.openfold_local.model.primitives import Linear, LayerNorm, Attention +from protenix.openfold_local.utils.chunk_utils import chunk_layer +from protenix.openfold_local.utils.tensor_utils import ( + permute_final_dims, +) + + +class TriangleAttention(nn.Module): + def __init__(self, c_in, c_hidden, no_heads, starting=True, inf=1e9): + """ + Args: + c_in: + Input channel dimension + c_hidden: + Overall hidden channel dimension (not per-head) + no_heads: + Number of attention heads + """ + super(TriangleAttention, self).__init__() + + self.c_in = c_in + self.c_hidden = c_hidden + self.no_heads = no_heads + self.starting = starting + self.inf = inf + + self.layer_norm = LayerNorm(self.c_in) + + self.linear = Linear(c_in, self.no_heads, bias=False, init="normal") + + self.mha = Attention( + self.c_in, self.c_in, self.c_in, self.c_hidden, self.no_heads + ) + + @torch.jit.ignore + def _chunk( + self, + x: torch.Tensor, + biases: List[torch.Tensor], + chunk_size: int, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + ) -> torch.Tensor: + "triangle! triangle!" + mha_inputs = { + "q_x": x, + "kv_x": x, + "biases": biases, + } + + return chunk_layer( + partial( + self.mha, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + ), + mha_inputs, + chunk_size=chunk_size, + no_batch_dims=len(x.shape[:-2]), + _out=x if inplace_safe else None, + ) + + def forward( + self, + x: torch.Tensor, + mask: Optional[torch.Tensor] = None, + chunk_size: Optional[int] = None, + use_memory_efficient_kernel: bool = False, + use_deepspeed_evo_attention: bool = False, + use_lma: bool = False, + inplace_safe: bool = False, + ) -> torch.Tensor: + """ + Args: + x: + [*, I, J, C_in] input tensor (e.g. the pair representation) + Returns: + [*, I, J, C_in] output tensor + """ + if mask is None: + # [*, I, J] + mask = x.new_ones( + x.shape[:-1], + ) + + if not self.starting: + x = x.transpose(-2, -3) + mask = mask.transpose(-1, -2) + + # [*, I, J, C_in] + x = self.layer_norm(x) + + # [*, I, 1, 1, J] + mask_bias = (self.inf * (mask - 1))[..., :, None, None, :] + + # [*, H, I, J] + triangle_bias = permute_final_dims(self.linear(x), (2, 0, 1)) + + # [*, 1, H, I, J] + triangle_bias = triangle_bias.unsqueeze(-4) + + biases = [mask_bias, triangle_bias] + + if chunk_size is not None: + x = self._chunk( + x, + biases, + chunk_size, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + inplace_safe=inplace_safe, + ) + else: + x = self.mha( + q_x=x, + kv_x=x, + biases=biases, + use_memory_efficient_kernel=use_memory_efficient_kernel, + use_deepspeed_evo_attention=use_deepspeed_evo_attention, + use_lma=use_lma, + ) + + if not self.starting: + x = x.transpose(-2, -3) + + return x + + +# Implements Algorithm 13 +TriangleAttentionStartingNode = TriangleAttention + + +class TriangleAttentionEndingNode(TriangleAttention): + """ + Implements Algorithm 14. + """ + + __init__ = partialmethod(TriangleAttention.__init__, starting=False) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/triangular_multiplicative_update.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/triangular_multiplicative_update.py new file mode 100644 index 0000000000000000000000000000000000000000..b250197b6f50ae2260c1614394b7e15fe73d1fe5 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/model/triangular_multiplicative_update.py @@ -0,0 +1,626 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from functools import partialmethod +from typing import Optional +from abc import ABC, abstractmethod + +import torch +import torch.nn as nn + +from protenix.openfold_local.model.primitives import Linear, LayerNorm +from protenix.openfold_local.utils.precision_utils import is_fp16_enabled +from protenix.openfold_local.utils.tensor_utils import add, permute_final_dims + + +class BaseTriangleMultiplicativeUpdate(nn.Module, ABC): + """ + Implements Algorithms 11 and 12. + """ + + @abstractmethod + def __init__(self, c_z, c_hidden, _outgoing): + """ + Args: + c_z: + Input channel dimension + c: + Hidden channel dimension + """ + super(BaseTriangleMultiplicativeUpdate, self).__init__() + self.c_z = c_z + self.c_hidden = c_hidden + self._outgoing = _outgoing + + self.linear_g = Linear(self.c_z, self.c_z, init="gating") + self.linear_z = Linear(self.c_hidden, self.c_z, init="final") + + self.layer_norm_in = LayerNorm(self.c_z) + self.layer_norm_out = LayerNorm(self.c_hidden) + + self.sigmoid = nn.Sigmoid() + + def _combine_projections( + self, + a: torch.Tensor, + b: torch.Tensor, + _inplace_chunk_size: Optional[int] = None, + ) -> torch.Tensor: + if self._outgoing: + a = permute_final_dims(a, (2, 0, 1)) + b = permute_final_dims(b, (2, 1, 0)) + else: + a = permute_final_dims(a, (2, 1, 0)) + b = permute_final_dims(b, (2, 0, 1)) + + if _inplace_chunk_size is not None: + # To be replaced by torch vmap + for i in range(0, a.shape[-3], _inplace_chunk_size): + a_chunk = a[..., i : i + _inplace_chunk_size, :, :] + b_chunk = b[..., i : i + _inplace_chunk_size, :, :] + a[..., i : i + _inplace_chunk_size, :, :] = torch.matmul( + a_chunk, + b_chunk, + ) + + p = a + else: + p = torch.matmul(a, b) + + return permute_final_dims(p, (1, 2, 0)) + + @abstractmethod + def forward( + self, + z: torch.Tensor, + mask: Optional[torch.Tensor] = None, + inplace_safe: bool = False, + _add_with_inplace: bool = False, + ) -> torch.Tensor: + """ + Args: + x: + [*, N_res, N_res, C_z] input tensor + mask: + [*, N_res, N_res] input mask + Returns: + [*, N_res, N_res, C_z] output tensor + """ + pass + + +class TriangleMultiplicativeUpdate(BaseTriangleMultiplicativeUpdate): + """ + Implements Algorithms 11 and 12. + """ + + def __init__(self, c_z, c_hidden, _outgoing=True): + """ + Args: + c_z: + Input channel dimension + c: + Hidden channel dimension + """ + super(TriangleMultiplicativeUpdate, self).__init__( + c_z=c_z, c_hidden=c_hidden, _outgoing=_outgoing + ) + + self.linear_a_p = Linear(self.c_z, self.c_hidden) + self.linear_a_g = Linear(self.c_z, self.c_hidden, init="gating") + self.linear_b_p = Linear(self.c_z, self.c_hidden) + self.linear_b_g = Linear(self.c_z, self.c_hidden, init="gating") + + def _inference_forward( + self, + z: torch.Tensor, + mask: Optional[torch.Tensor] = None, + inplace_chunk_size: Optional[int] = None, + with_add: bool = True, + ): + """ + Args: + z: + A [*, N, N, C_z] pair representation + mask: + A [*, N, N] pair mask + inplace_chunk_size: + Size of chunks used in the main computation. Increase to trade + memory for speed. + with_add: + If True, z is overwritten with (z + update). Otherwise, it is + overwritten with (update). + Returns: + A reference to the overwritten z + + More memory-efficient, inference-only version of the forward function. + Uses in-place operations, fusion of the addition that happens after + this module in the Evoformer, a smidge of recomputation, and + a cache of overwritten values to lower peak memory consumption of this + module from 5x the size of the input tensor z to 2.5x its size. Useful + for inference on extremely long sequences. + + It works as follows. We will make reference to variables used in the + default forward implementation below. Naively, triangle multiplication + attention requires the manifestation of 5 tensors the size of z: + 1) z, the "square" input tensor, 2) a, the first projection of z, + 3) b, the second projection of b, 4) g, a z-sized mask, and 5) a + z-sized tensor for intermediate computations. For large N, this is + prohibitively expensive; for N=4000, for example, z is more than 8GB + alone. To avoid this problem, we compute b, g, and all intermediate + tensors in small chunks, noting that the chunks required to compute a + chunk of the output depend only on the tensor a and corresponding + vertical and horizontal chunks of z. This suggests an algorithm that + loops over pairs of chunks of z: hereafter "columns" and "rows" of + z, even though each "column" and "row" in fact contains + inplace_chunk_size contiguous true columns and rows of z. Writing + output chunks to a new tensor would bring total memory consumption + down to 3x the size of z. However, more memory can be saved by writing + output chunks directly to z in-place. WLOG, we choose to write output + chunks vertically, overwriting the ith "column" of z at the end of + the ith iteration of the main loop. Despite this overwriting, the + ith column is always one column ahead of previously overwritten columns + and can be recovered directly from z. After the first iteration, + however, the ith row of z is always at least partially overwritten. For + this reason, we introduce the z-cache, a tensor one-half the size of + z. The z-cache initially contains the left half (2nd and 3rd quadrants) + of z. For 0 < i < N/2, the missing left part of the ith row of z is + recovered from this cache at the beginning of the ith iteration. Once i + exceeds n/2, the cache is "reoriented" to encompass the 3rd and 4th + quadrants of z instead. Though the 3rd quadrant of the original z is + entirely overwritten at this point, it can be recovered from the z-cache + itself. Thereafter, the ith row of z can be recovered in its entirety + from the reoriented z-cache. After the final iteration, z has been + completely overwritten and contains the triangular multiplicative + update. If with_add is True, it instead contains the sum of z and the + triangular multiplicative update. In either case, peak memory + consumption is just 2.5x the size of z, disregarding memory used for + chunks and other small variables. + """ + if mask is None: + mask = z.new_ones(z.shape[:-1]) + + mask = mask.unsqueeze(-1) + + def compute_projection_helper(pair, mask, a=True): + if a: + linear_g = self.linear_a_g + linear_p = self.linear_a_p + else: + linear_g = self.linear_b_g + linear_p = self.linear_b_p + + pair = self.layer_norm_in(pair) + p = linear_g(pair) + p.sigmoid_() + p *= linear_p(pair) + p *= mask + p = permute_final_dims(p, (2, 0, 1)) + return p + + def compute_projection(pair, mask, a=True, chunked=True): + need_transpose = self._outgoing ^ a + if not chunked: + p = compute_projection_helper(pair, mask, a) + if need_transpose: + p = p.transpose(-1, -2) + else: + # This computation is chunked so as not to exceed our 2.5x + # budget with a large intermediate tensor + linear_g = self.linear_a_g if a else self.linear_b_g + c = linear_g.bias.shape[-1] + out_shape = pair.shape[:-3] + (c,) + pair.shape[-3:-1] + p = pair.new_zeros(out_shape) + for i in range(0, pair.shape[-3], inplace_chunk_size): + pair_chunk = pair[..., i : i + inplace_chunk_size, :, :] + mask_chunk = mask[..., i : i + inplace_chunk_size, :, :] + pair_chunk = compute_projection_helper( + pair[..., i : i + inplace_chunk_size, :, :], + mask[..., i : i + inplace_chunk_size, :, :], + a, + ) + if need_transpose: + pair_chunk = pair_chunk.transpose(-1, -2) + p[..., i : i + inplace_chunk_size] = pair_chunk + else: + p[..., i : i + inplace_chunk_size, :] = pair_chunk + + del pair_chunk + + return p + + # We start by fully manifesting a. In addition to the input, this + # brings total memory consumption to 2x z (disregarding size of chunks) + # [*, N, N, c] + a = compute_projection(z, mask, True, chunked=True) + + if inplace_chunk_size is not None: + n = a.shape[-1] + half_n = n // 2 + n % 2 + row_dim = -3 + col_dim = -2 + b_chunk_dim = row_dim if self._outgoing else col_dim + + def empty_slicer(t): + return [slice(None) for _ in t.shape] + + def slice_tensor(t, start, end, dim): + # Slices start:end from the dim dimension of t + s = empty_slicer(t) + s[dim] = slice(start, end) + return t[s] + + def flip_z_cache_(z_cache, z): + # "Reorient" the z_cache (see below), filling it with quadrants + # 3---recovered from the z_cache---and 4---recovered from z--- + # of the input tensor z. + quadrant_3 = slice_tensor(z_cache, half_n, None, row_dim) + z_cache = z_cache.transpose(row_dim, col_dim) + + # If n is odd, we need to shrink the z_cache by one row + z_cache = z_cache[..., : (n // 2), :, :] + + # Move the 3rd quadrant of z into the + first_half_slicer = empty_slicer(z_cache) + first_half_slicer[col_dim] = slice(0, half_n) + z_cache[first_half_slicer] = quadrant_3 + + # Get the fourth quadrant of z + quadrant_4 = slice_tensor(z, half_n, None, row_dim) + quadrant_4 = slice_tensor(quadrant_4, half_n, None, col_dim) + + # Insert said quadrant into the rotated z-cache + quadrant_3_slicer = empty_slicer(z_cache) + quadrant_3_slicer[col_dim] = slice(half_n, None) + + z_cache[quadrant_3_slicer] = quadrant_4 + + return z_cache + + # Initialize the z cache to the left half of z. + z_cache_shape = list(z.shape) + z_cache_shape[col_dim] = half_n + z_cache = z.new_zeros(z_cache_shape) + z_cache_slicer = empty_slicer(z_cache) + z_cache_slicer[col_dim] = slice(0, half_n) + z_cache.copy_(z[z_cache_slicer]) + z_cache_rotated = False + + # We need to reorient the z-cache at the halfway point, and we + # don't want a single chunk to straddle that point. We contract one + # of the chunks in the middle to address that problem. + i_range = list(range(0, half_n, inplace_chunk_size)) + initial_offsets = [ + i_2 - i_1 for i_1, i_2 in zip(i_range, i_range[1:] + [half_n]) + ] + after_half = list(range(half_n, n, inplace_chunk_size)) + after_half_offsets = [inplace_chunk_size for _ in after_half] + combined_range_with_offsets = zip( + i_range + after_half, initial_offsets + after_half_offsets + ) + for i, offset in combined_range_with_offsets: + if not z_cache_rotated and i >= half_n: + z_cache = flip_z_cache_(z_cache, z) + z_cache_rotated = True + + z_chunk_b = slice_tensor( + z, + i, + i + offset, + b_chunk_dim, + ) + mask_chunk = slice_tensor( + mask, + i, + i + offset, + b_chunk_dim, + ) + + z_chunk_b = z_chunk_b.clone() + if b_chunk_dim == col_dim: + z_chunk_b = slice_tensor(z, i, i + offset, col_dim) + else: # b_chunk_dim == row_dim + # In this case, the b-dimension (b_chunk_dim) is partially + # overwritten at the end of each iteration. We need to + # restore the missing component from the z-cache. + if not z_cache_rotated: + z_chunk_slicer = empty_slicer(z_chunk_b) + z_chunk_slicer[col_dim] = slice(0, half_n) + z_chunk_b[z_chunk_slicer] = slice_tensor( + z_cache, + i, + i + offset, + row_dim, + ) + else: + z_cache_offset = i - half_n + z_chunk_b = slice_tensor( + z_cache, z_cache_offset, z_cache_offset + offset, row_dim + ) + + b_chunk = compute_projection( + z_chunk_b, mask_chunk, a=False, chunked=False + ) + del z_chunk_b + + x_chunk = torch.matmul( + a, + b_chunk, + ) + x_chunk = permute_final_dims(x_chunk, (1, 2, 0)) + x_chunk = self.layer_norm_out(x_chunk) + x_chunk = self.linear_z(x_chunk) + + # The g dimension (col_dim) is parallel to and ahead of the + # overwrites in z. We can extract the g chunk normally. + z_chunk_g = slice_tensor(z, i, i + offset, col_dim) + g_chunk = self.linear_g(self.layer_norm_in(z_chunk_g)) + g_chunk.sigmoid_() + del z_chunk_g + + x_chunk *= g_chunk + + # Write the columns into z in-place + z_slicer = empty_slicer(z) + z_slicer[col_dim] = slice(i, i + offset) + if with_add: + z[z_slicer] += x_chunk + else: + z[z_slicer] = x_chunk + else: + b = compute_projection(z, mask, False, False) + x = torch.matmul(a, b) + x = self.layer_norm_out(x) + x = self.linear_z(x) + g = self.linear_g(z) + g.sigmoid_() + x *= g + if with_add: + z += x + else: + z = x + + return z + + def forward( + self, + z: torch.Tensor, + mask: Optional[torch.Tensor] = None, + inplace_safe: bool = False, + _add_with_inplace: bool = False, + _inplace_chunk_size: Optional[int] = 256, + ) -> torch.Tensor: + """ + Args: + x: + [*, N_res, N_res, C_z] input tensor + mask: + [*, N_res, N_res] input mask + Returns: + [*, N_res, N_res, C_z] output tensor + """ + if inplace_safe: + x = self._inference_forward( + z, + mask, + inplace_chunk_size=_inplace_chunk_size, + with_add=_add_with_inplace, + ) + return x + + if mask is None: + mask = z.new_ones(z.shape[:-1]) + + mask = mask.unsqueeze(-1) + + z = self.layer_norm_in(z) + a = mask + a = a * self.sigmoid(self.linear_a_g(z)) + a = a * self.linear_a_p(z) + b = mask + b = b * self.sigmoid(self.linear_b_g(z)) + b = b * self.linear_b_p(z) + + # Prevents overflow of torch.matmul in combine projections in + # reduced-precision modes + a_std = a.std() + b_std = b.std() + if is_fp16_enabled() and a_std != 0.0 and b_std != 0.0: + a = a / a.std() + b = b / b.std() + + if is_fp16_enabled(): + with torch.cuda.amp.autocast(enabled=False): + x = self._combine_projections(a.float(), b.float()) + else: + x = self._combine_projections(a, b) + + del a, b + x = self.layer_norm_out(x) + x = self.linear_z(x) + g = self.sigmoid(self.linear_g(z)) + x = x * g + + return x + + +class TriangleMultiplicationOutgoing(TriangleMultiplicativeUpdate): + """ + Implements Algorithm 11. + """ + + __init__ = partialmethod(TriangleMultiplicativeUpdate.__init__, _outgoing=True) + + +class TriangleMultiplicationIncoming(TriangleMultiplicativeUpdate): + """ + Implements Algorithm 12. + """ + + __init__ = partialmethod(TriangleMultiplicativeUpdate.__init__, _outgoing=False) + + +class FusedTriangleMultiplicativeUpdate(BaseTriangleMultiplicativeUpdate): + """ + Implements Algorithms 11 and 12. + """ + + def __init__(self, c_z, c_hidden, _outgoing=True): + """ + Args: + c_z: + Input channel dimension + c: + Hidden channel dimension + """ + super(FusedTriangleMultiplicativeUpdate, self).__init__( + c_z=c_z, c_hidden=c_hidden, _outgoing=_outgoing + ) + + self.linear_ab_p = Linear(self.c_z, self.c_hidden * 2) + self.linear_ab_g = Linear(self.c_z, self.c_hidden * 2, init="gating") + + def _inference_forward( + self, + z: torch.Tensor, + mask: Optional[torch.Tensor] = None, + _inplace_chunk_size: Optional[int] = None, + with_add: bool = True, + ): + """ + Args: + z: + A [*, N, N, C_z] pair representation + mask: + A [*, N, N] pair mask + with_add: + If True, z is overwritten with (z + update). Otherwise, it is + overwritten with (update). + Returns: + A reference to the overwritten z + """ + if mask is None: + mask = z.new_ones(z.shape[:-1]) + + mask = mask.unsqueeze(-1) + + def compute_projection_helper(pair, mask): + p = self.linear_ab_g(pair) + p.sigmoid_() + p *= self.linear_ab_p(pair) + p *= mask + + return p + + def compute_projection(pair, mask): + p = compute_projection_helper(pair, mask) + left = p[..., : self.c_hidden] + right = p[..., self.c_hidden :] + + return left, right + + z_norm_in = self.layer_norm_in(z) + a, b = compute_projection(z_norm_in, mask) + x = self._combine_projections(a, b, _inplace_chunk_size=_inplace_chunk_size) + x = self.layer_norm_out(x) + x = self.linear_z(x) + g = self.linear_g(z_norm_in) + g.sigmoid_() + x *= g + if with_add: + z += x + else: + z = x + + return z + + def forward( + self, + z: torch.Tensor, + mask: Optional[torch.Tensor] = None, + inplace_safe: bool = False, + _add_with_inplace: bool = False, + _inplace_chunk_size: Optional[int] = 256, + ) -> torch.Tensor: + """ + Args: + x: + [*, N_res, N_res, C_z] input tensor + mask: + [*, N_res, N_res] input mask + Returns: + [*, N_res, N_res, C_z] output tensor + """ + if inplace_safe: + x = self._inference_forward( + z, + mask, + _inplace_chunk_size=_inplace_chunk_size, + with_add=_add_with_inplace, + ) + return x + + if mask is None: + mask = z.new_ones(z.shape[:-1]) + + mask = mask.unsqueeze(-1) + + z = self.layer_norm_in(z) + ab = mask + ab = ab * self.sigmoid(self.linear_ab_g(z)) + ab = ab * self.linear_ab_p(z) + + a = ab[..., : self.c_hidden] + b = ab[..., self.c_hidden :] + + # Prevents overflow of torch.matmul in combine projections in + # reduced-precision modes + a_std = a.std() + b_std = b.std() + if is_fp16_enabled() and a_std != 0.0 and b_std != 0.0: + a = a / a.std() + b = b / b.std() + + if is_fp16_enabled(): + with torch.cuda.amp.autocast(enabled=False): + x = self._combine_projections(a.float(), b.float()) + else: + x = self._combine_projections(a, b) + + del a, b + x = self.layer_norm_out(x) + x = self.linear_z(x) + g = self.sigmoid(self.linear_g(z)) + x = x * g + + return x + + +class FusedTriangleMultiplicationOutgoing(FusedTriangleMultiplicativeUpdate): + """ + Implements Algorithm 11. + """ + + __init__ = partialmethod(FusedTriangleMultiplicativeUpdate.__init__, _outgoing=True) + + +class FusedTriangleMultiplicationIncoming(FusedTriangleMultiplicativeUpdate): + """ + Implements Algorithm 12. + """ + + __init__ = partialmethod( + FusedTriangleMultiplicativeUpdate.__init__, _outgoing=False + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/np/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/np/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/np/residue_constants.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/np/residue_constants.py new file mode 100644 index 0000000000000000000000000000000000000000..dfafab7381a4ebc5d80a9084dff19a4a7c4c9eeb --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/np/residue_constants.py @@ -0,0 +1,1430 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +"""Constants used in AlphaFold.""" + +import collections +import functools +import os +from importlib import resources +from typing import List, Mapping, Tuple + +import numpy as np +import tree + +# Distance from one CA to next CA [trans configuration: omega = 180]. +ca_ca = 3.80209737096 + +# Format: The list for each AA type contains chi1, chi2, chi3, chi4 in +# this order (or a relevant subset from chi1 onwards). ALA and GLY don't have +# chi angles so their chi angle lists are empty. +chi_angles_atoms = { + "ALA": [], + # Chi5 in arginine is always 0 +- 5 degrees, so ignore it. + "ARG": [ + ["N", "CA", "CB", "CG"], + ["CA", "CB", "CG", "CD"], + ["CB", "CG", "CD", "NE"], + ["CG", "CD", "NE", "CZ"], + ], + "ASN": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], + "ASP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "OD1"]], + "CYS": [["N", "CA", "CB", "SG"]], + "GLN": [ + ["N", "CA", "CB", "CG"], + ["CA", "CB", "CG", "CD"], + ["CB", "CG", "CD", "OE1"], + ], + "GLU": [ + ["N", "CA", "CB", "CG"], + ["CA", "CB", "CG", "CD"], + ["CB", "CG", "CD", "OE1"], + ], + "GLY": [], + "HIS": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "ND1"]], + "ILE": [["N", "CA", "CB", "CG1"], ["CA", "CB", "CG1", "CD1"]], + "LEU": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], + "LYS": [ + ["N", "CA", "CB", "CG"], + ["CA", "CB", "CG", "CD"], + ["CB", "CG", "CD", "CE"], + ["CG", "CD", "CE", "NZ"], + ], + "MET": [ + ["N", "CA", "CB", "CG"], + ["CA", "CB", "CG", "SD"], + ["CB", "CG", "SD", "CE"], + ], + "PHE": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], + "PRO": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD"]], + "SER": [["N", "CA", "CB", "OG"]], + "THR": [["N", "CA", "CB", "OG1"]], + "TRP": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], + "TYR": [["N", "CA", "CB", "CG"], ["CA", "CB", "CG", "CD1"]], + "VAL": [["N", "CA", "CB", "CG1"]], +} + +# If chi angles given in fixed-length array, this matrix determines how to mask +# them for each AA type. The order is as per restype_order (see below). +chi_angles_mask = [ + [0.0, 0.0, 0.0, 0.0], # ALA + [1.0, 1.0, 1.0, 1.0], # ARG + [1.0, 1.0, 0.0, 0.0], # ASN + [1.0, 1.0, 0.0, 0.0], # ASP + [1.0, 0.0, 0.0, 0.0], # CYS + [1.0, 1.0, 1.0, 0.0], # GLN + [1.0, 1.0, 1.0, 0.0], # GLU + [0.0, 0.0, 0.0, 0.0], # GLY + [1.0, 1.0, 0.0, 0.0], # HIS + [1.0, 1.0, 0.0, 0.0], # ILE + [1.0, 1.0, 0.0, 0.0], # LEU + [1.0, 1.0, 1.0, 1.0], # LYS + [1.0, 1.0, 1.0, 0.0], # MET + [1.0, 1.0, 0.0, 0.0], # PHE + [1.0, 1.0, 0.0, 0.0], # PRO + [1.0, 0.0, 0.0, 0.0], # SER + [1.0, 0.0, 0.0, 0.0], # THR + [1.0, 1.0, 0.0, 0.0], # TRP + [1.0, 1.0, 0.0, 0.0], # TYR + [1.0, 0.0, 0.0, 0.0], # VAL +] + +# The following chi angles are pi periodic: they can be rotated by a multiple +# of pi without affecting the structure. +chi_pi_periodic = [ + [0.0, 0.0, 0.0, 0.0], # ALA + [0.0, 0.0, 0.0, 0.0], # ARG + [0.0, 0.0, 0.0, 0.0], # ASN + [0.0, 1.0, 0.0, 0.0], # ASP + [0.0, 0.0, 0.0, 0.0], # CYS + [0.0, 0.0, 0.0, 0.0], # GLN + [0.0, 0.0, 1.0, 0.0], # GLU + [0.0, 0.0, 0.0, 0.0], # GLY + [0.0, 0.0, 0.0, 0.0], # HIS + [0.0, 0.0, 0.0, 0.0], # ILE + [0.0, 0.0, 0.0, 0.0], # LEU + [0.0, 0.0, 0.0, 0.0], # LYS + [0.0, 0.0, 0.0, 0.0], # MET + [0.0, 1.0, 0.0, 0.0], # PHE + [0.0, 0.0, 0.0, 0.0], # PRO + [0.0, 0.0, 0.0, 0.0], # SER + [0.0, 0.0, 0.0, 0.0], # THR + [0.0, 0.0, 0.0, 0.0], # TRP + [0.0, 1.0, 0.0, 0.0], # TYR + [0.0, 0.0, 0.0, 0.0], # VAL + [0.0, 0.0, 0.0, 0.0], # UNK +] + +# Atoms positions relative to the 8 rigid groups, defined by the pre-omega, phi, +# psi and chi angles: +# 0: 'backbone group', +# 1: 'pre-omega-group', (empty) +# 2: 'phi-group', (currently empty, because it defines only hydrogens) +# 3: 'psi-group', +# 4,5,6,7: 'chi1,2,3,4-group' +# The atom positions are relative to the axis-end-atom of the corresponding +# rotation axis. The x-axis is in direction of the rotation axis, and the y-axis +# is defined such that the dihedral-angle-definiting atom (the last entry in +# chi_angles_atoms above) is in the xy-plane (with a positive y-coordinate). +# format: [atomname, group_idx, rel_position] +rigid_group_atom_positions = { + "ALA": [ + ["N", 0, (-0.525, 1.363, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.526, -0.000, -0.000)], + ["CB", 0, (-0.529, -0.774, -1.205)], + ["O", 3, (0.627, 1.062, 0.000)], + ], + "ARG": [ + ["N", 0, (-0.524, 1.362, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.525, -0.000, -0.000)], + ["CB", 0, (-0.524, -0.778, -1.209)], + ["O", 3, (0.626, 1.062, 0.000)], + ["CG", 4, (0.616, 1.390, -0.000)], + ["CD", 5, (0.564, 1.414, 0.000)], + ["NE", 6, (0.539, 1.357, -0.000)], + ["NH1", 7, (0.206, 2.301, 0.000)], + ["NH2", 7, (2.078, 0.978, -0.000)], + ["CZ", 7, (0.758, 1.093, -0.000)], + ], + "ASN": [ + ["N", 0, (-0.536, 1.357, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.526, -0.000, -0.000)], + ["CB", 0, (-0.531, -0.787, -1.200)], + ["O", 3, (0.625, 1.062, 0.000)], + ["CG", 4, (0.584, 1.399, 0.000)], + ["ND2", 5, (0.593, -1.188, 0.001)], + ["OD1", 5, (0.633, 1.059, 0.000)], + ], + "ASP": [ + ["N", 0, (-0.525, 1.362, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.527, 0.000, -0.000)], + ["CB", 0, (-0.526, -0.778, -1.208)], + ["O", 3, (0.626, 1.062, -0.000)], + ["CG", 4, (0.593, 1.398, -0.000)], + ["OD1", 5, (0.610, 1.091, 0.000)], + ["OD2", 5, (0.592, -1.101, -0.003)], + ], + "CYS": [ + ["N", 0, (-0.522, 1.362, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.524, 0.000, 0.000)], + ["CB", 0, (-0.519, -0.773, -1.212)], + ["O", 3, (0.625, 1.062, -0.000)], + ["SG", 4, (0.728, 1.653, 0.000)], + ], + "GLN": [ + ["N", 0, (-0.526, 1.361, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.526, 0.000, 0.000)], + ["CB", 0, (-0.525, -0.779, -1.207)], + ["O", 3, (0.626, 1.062, -0.000)], + ["CG", 4, (0.615, 1.393, 0.000)], + ["CD", 5, (0.587, 1.399, -0.000)], + ["NE2", 6, (0.593, -1.189, -0.001)], + ["OE1", 6, (0.634, 1.060, 0.000)], + ], + "GLU": [ + ["N", 0, (-0.528, 1.361, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.526, -0.000, -0.000)], + ["CB", 0, (-0.526, -0.781, -1.207)], + ["O", 3, (0.626, 1.062, 0.000)], + ["CG", 4, (0.615, 1.392, 0.000)], + ["CD", 5, (0.600, 1.397, 0.000)], + ["OE1", 6, (0.607, 1.095, -0.000)], + ["OE2", 6, (0.589, -1.104, -0.001)], + ], + "GLY": [ + ["N", 0, (-0.572, 1.337, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.517, -0.000, -0.000)], + ["O", 3, (0.626, 1.062, -0.000)], + ], + "HIS": [ + ["N", 0, (-0.527, 1.360, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.525, 0.000, 0.000)], + ["CB", 0, (-0.525, -0.778, -1.208)], + ["O", 3, (0.625, 1.063, 0.000)], + ["CG", 4, (0.600, 1.370, -0.000)], + ["CD2", 5, (0.889, -1.021, 0.003)], + ["ND1", 5, (0.744, 1.160, -0.000)], + ["CE1", 5, (2.030, 0.851, 0.002)], + ["NE2", 5, (2.145, -0.466, 0.004)], + ], + "ILE": [ + ["N", 0, (-0.493, 1.373, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.527, -0.000, -0.000)], + ["CB", 0, (-0.536, -0.793, -1.213)], + ["O", 3, (0.627, 1.062, -0.000)], + ["CG1", 4, (0.534, 1.437, -0.000)], + ["CG2", 4, (0.540, -0.785, -1.199)], + ["CD1", 5, (0.619, 1.391, 0.000)], + ], + "LEU": [ + ["N", 0, (-0.520, 1.363, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.525, -0.000, -0.000)], + ["CB", 0, (-0.522, -0.773, -1.214)], + ["O", 3, (0.625, 1.063, -0.000)], + ["CG", 4, (0.678, 1.371, 0.000)], + ["CD1", 5, (0.530, 1.430, -0.000)], + ["CD2", 5, (0.535, -0.774, 1.200)], + ], + "LYS": [ + ["N", 0, (-0.526, 1.362, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.526, 0.000, 0.000)], + ["CB", 0, (-0.524, -0.778, -1.208)], + ["O", 3, (0.626, 1.062, -0.000)], + ["CG", 4, (0.619, 1.390, 0.000)], + ["CD", 5, (0.559, 1.417, 0.000)], + ["CE", 6, (0.560, 1.416, 0.000)], + ["NZ", 7, (0.554, 1.387, 0.000)], + ], + "MET": [ + ["N", 0, (-0.521, 1.364, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.525, 0.000, 0.000)], + ["CB", 0, (-0.523, -0.776, -1.210)], + ["O", 3, (0.625, 1.062, -0.000)], + ["CG", 4, (0.613, 1.391, -0.000)], + ["SD", 5, (0.703, 1.695, 0.000)], + ["CE", 6, (0.320, 1.786, -0.000)], + ], + "PHE": [ + ["N", 0, (-0.518, 1.363, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.524, 0.000, -0.000)], + ["CB", 0, (-0.525, -0.776, -1.212)], + ["O", 3, (0.626, 1.062, -0.000)], + ["CG", 4, (0.607, 1.377, 0.000)], + ["CD1", 5, (0.709, 1.195, -0.000)], + ["CD2", 5, (0.706, -1.196, 0.000)], + ["CE1", 5, (2.102, 1.198, -0.000)], + ["CE2", 5, (2.098, -1.201, -0.000)], + ["CZ", 5, (2.794, -0.003, -0.001)], + ], + "PRO": [ + ["N", 0, (-0.566, 1.351, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.527, -0.000, 0.000)], + ["CB", 0, (-0.546, -0.611, -1.293)], + ["O", 3, (0.621, 1.066, 0.000)], + ["CG", 4, (0.382, 1.445, 0.0)], + # ['CD', 5, (0.427, 1.440, 0.0)], + ["CD", 5, (0.477, 1.424, 0.0)], # manually made angle 2 degrees larger + ], + "SER": [ + ["N", 0, (-0.529, 1.360, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.525, -0.000, -0.000)], + ["CB", 0, (-0.518, -0.777, -1.211)], + ["O", 3, (0.626, 1.062, -0.000)], + ["OG", 4, (0.503, 1.325, 0.000)], + ], + "THR": [ + ["N", 0, (-0.517, 1.364, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.526, 0.000, -0.000)], + ["CB", 0, (-0.516, -0.793, -1.215)], + ["O", 3, (0.626, 1.062, 0.000)], + ["CG2", 4, (0.550, -0.718, -1.228)], + ["OG1", 4, (0.472, 1.353, 0.000)], + ], + "TRP": [ + ["N", 0, (-0.521, 1.363, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.525, -0.000, 0.000)], + ["CB", 0, (-0.523, -0.776, -1.212)], + ["O", 3, (0.627, 1.062, 0.000)], + ["CG", 4, (0.609, 1.370, -0.000)], + ["CD1", 5, (0.824, 1.091, 0.000)], + ["CD2", 5, (0.854, -1.148, -0.005)], + ["CE2", 5, (2.186, -0.678, -0.007)], + ["CE3", 5, (0.622, -2.530, -0.007)], + ["NE1", 5, (2.140, 0.690, -0.004)], + ["CH2", 5, (3.028, -2.890, -0.013)], + ["CZ2", 5, (3.283, -1.543, -0.011)], + ["CZ3", 5, (1.715, -3.389, -0.011)], + ], + "TYR": [ + ["N", 0, (-0.522, 1.362, 0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.524, -0.000, -0.000)], + ["CB", 0, (-0.522, -0.776, -1.213)], + ["O", 3, (0.627, 1.062, -0.000)], + ["CG", 4, (0.607, 1.382, -0.000)], + ["CD1", 5, (0.716, 1.195, -0.000)], + ["CD2", 5, (0.713, -1.194, -0.001)], + ["CE1", 5, (2.107, 1.200, -0.002)], + ["CE2", 5, (2.104, -1.201, -0.003)], + ["OH", 5, (4.168, -0.002, -0.005)], + ["CZ", 5, (2.791, -0.001, -0.003)], + ], + "VAL": [ + ["N", 0, (-0.494, 1.373, -0.000)], + ["CA", 0, (0.000, 0.000, 0.000)], + ["C", 0, (1.527, -0.000, -0.000)], + ["CB", 0, (-0.533, -0.795, -1.213)], + ["O", 3, (0.627, 1.062, -0.000)], + ["CG1", 4, (0.540, 1.429, -0.000)], + ["CG2", 4, (0.533, -0.776, 1.203)], + ], +} + +# A list of atoms (excluding hydrogen) for each AA type. PDB naming convention. +residue_atoms = { + "ALA": ["C", "CA", "CB", "N", "O"], + "ARG": ["C", "CA", "CB", "CG", "CD", "CZ", "N", "NE", "O", "NH1", "NH2"], + "ASP": ["C", "CA", "CB", "CG", "N", "O", "OD1", "OD2"], + "ASN": ["C", "CA", "CB", "CG", "N", "ND2", "O", "OD1"], + "CYS": ["C", "CA", "CB", "N", "O", "SG"], + "GLU": ["C", "CA", "CB", "CG", "CD", "N", "O", "OE1", "OE2"], + "GLN": ["C", "CA", "CB", "CG", "CD", "N", "NE2", "O", "OE1"], + "GLY": ["C", "CA", "N", "O"], + "HIS": ["C", "CA", "CB", "CG", "CD2", "CE1", "N", "ND1", "NE2", "O"], + "ILE": ["C", "CA", "CB", "CG1", "CG2", "CD1", "N", "O"], + "LEU": ["C", "CA", "CB", "CG", "CD1", "CD2", "N", "O"], + "LYS": ["C", "CA", "CB", "CG", "CD", "CE", "N", "NZ", "O"], + "MET": ["C", "CA", "CB", "CG", "CE", "N", "O", "SD"], + "PHE": ["C", "CA", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "N", "O"], + "PRO": ["C", "CA", "CB", "CG", "CD", "N", "O"], + "SER": ["C", "CA", "CB", "N", "O", "OG"], + "THR": ["C", "CA", "CB", "CG2", "N", "O", "OG1"], + "TRP": [ + "C", + "CA", + "CB", + "CG", + "CD1", + "CD2", + "CE2", + "CE3", + "CZ2", + "CZ3", + "CH2", + "N", + "NE1", + "O", + ], + "TYR": [ + "C", + "CA", + "CB", + "CG", + "CD1", + "CD2", + "CE1", + "CE2", + "CZ", + "N", + "O", + "OH", + ], + "VAL": ["C", "CA", "CB", "CG1", "CG2", "N", "O"], +} + +# Naming swaps for ambiguous atom names. +# Due to symmetries in the amino acids the naming of atoms is ambiguous in +# 4 of the 20 amino acids. +# (The LDDT paper lists 7 amino acids as ambiguous, but the naming ambiguities +# in LEU, VAL and ARG can be resolved by using the 3d constellations of +# the 'ambiguous' atoms and their neighbours) +# Because for LEU, VAL and ARG, no ambiguous exist when the prediction output is chi angle instead of the location of individual atoms. +# For the rest, ASP and others, when you rotate the bond 180 degree, you get the same configuraiton due to symmetry. + +residue_atom_renaming_swaps = { + "ASP": {"OD1": "OD2"}, + "GLU": {"OE1": "OE2"}, + "PHE": {"CD1": "CD2", "CE1": "CE2"}, + "TYR": {"CD1": "CD2", "CE1": "CE2"}, +} + +# Van der Waals radii [Angstroem] of the atoms (from Wikipedia) +van_der_waals_radius = { + "C": 1.7, + "N": 1.55, + "O": 1.52, + "S": 1.8, +} + +Bond = collections.namedtuple("Bond", ["atom1_name", "atom2_name", "length", "stddev"]) +BondAngle = collections.namedtuple( + "BondAngle", + ["atom1_name", "atom2_name", "atom3name", "angle_rad", "stddev"], +) + + +@functools.lru_cache(maxsize=None) +def load_stereo_chemical_props() -> Tuple[ + Mapping[str, List[Bond]], + Mapping[str, List[Bond]], + Mapping[str, List[BondAngle]], +]: + """Load stereo_chemical_props.txt into a nice structure. + + Load literature values for bond lengths and bond angles and translate + bond angles into the length of the opposite edge of the triangle + ("residue_virtual_bonds"). + + Returns: + residue_bonds: Dict that maps resname -> list of Bond tuples + residue_virtual_bonds: dict that maps resname -> list of Bond tuples + residue_bond_angles: dict that maps resname -> list of BondAngle tuples + """ + + stereo_chemical_props = resources.read_text( + "openfold.resources", "stereo_chemical_props.txt" + ) + + lines_iter = iter(stereo_chemical_props.splitlines()) + # Load bond lengths. + residue_bonds = {} + next(lines_iter) # Skip header line. + for line in lines_iter: + if line.strip() == "-": + break + bond, resname, length, stddev = line.split() + atom1, atom2 = bond.split("-") + if resname not in residue_bonds: + residue_bonds[resname] = [] + residue_bonds[resname].append(Bond(atom1, atom2, float(length), float(stddev))) + residue_bonds["UNK"] = [] + + # Load bond angles. + residue_bond_angles = {} + next(lines_iter) # Skip empty line. + next(lines_iter) # Skip header line. + for line in lines_iter: + if line.strip() == "-": + break + bond, resname, angle_degree, stddev_degree = line.split() + atom1, atom2, atom3 = bond.split("-") + if resname not in residue_bond_angles: + residue_bond_angles[resname] = [] + residue_bond_angles[resname].append( + BondAngle( + atom1, + atom2, + atom3, + float(angle_degree) / 180.0 * np.pi, + float(stddev_degree) / 180.0 * np.pi, + ) + ) + residue_bond_angles["UNK"] = [] + + def make_bond_key(atom1_name, atom2_name): + """Unique key to lookup bonds.""" + return "-".join(sorted([atom1_name, atom2_name])) + + # Translate bond angles into distances ("virtual bonds"). + residue_virtual_bonds = {} + for resname, bond_angles in residue_bond_angles.items(): + # Create a fast lookup dict for bond lengths. + bond_cache = {} + for b in residue_bonds[resname]: + bond_cache[make_bond_key(b.atom1_name, b.atom2_name)] = b + residue_virtual_bonds[resname] = [] + for ba in bond_angles: + bond1 = bond_cache[make_bond_key(ba.atom1_name, ba.atom2_name)] + bond2 = bond_cache[make_bond_key(ba.atom2_name, ba.atom3name)] + + # Compute distance between atom1 and atom3 using the law of cosines + # c^2 = a^2 + b^2 - 2ab*cos(gamma). + gamma = ba.angle_rad + length = np.sqrt( + bond1.length**2 + + bond2.length**2 + - 2 * bond1.length * bond2.length * np.cos(gamma) + ) + + # Propagation of uncertainty assuming uncorrelated errors. + dl_outer = 0.5 / length + dl_dgamma = (2 * bond1.length * bond2.length * np.sin(gamma)) * dl_outer + dl_db1 = (2 * bond1.length - 2 * bond2.length * np.cos(gamma)) * dl_outer + dl_db2 = (2 * bond2.length - 2 * bond1.length * np.cos(gamma)) * dl_outer + stddev = np.sqrt( + (dl_dgamma * ba.stddev) ** 2 + + (dl_db1 * bond1.stddev) ** 2 + + (dl_db2 * bond2.stddev) ** 2 + ) + residue_virtual_bonds[resname].append( + Bond(ba.atom1_name, ba.atom3name, length, stddev) + ) + + return (residue_bonds, residue_virtual_bonds, residue_bond_angles) + + +# Between-residue bond lengths for general bonds (first element) and for Proline +# (second element). +between_res_bond_length_c_n = [1.329, 1.341] +between_res_bond_length_stddev_c_n = [0.014, 0.016] + +# Between-residue cos_angles. +between_res_cos_angles_c_n_ca = [-0.5203, 0.0353] # degrees: 121.352 +- 2.315 +between_res_cos_angles_ca_c_n = [-0.4473, 0.0311] # degrees: 116.568 +- 1.995 + +# This mapping is used when we need to store atom data in a format that requires +# fixed atom data size for every residue (e.g. a numpy array). +atom_types = [ + "N", + "CA", + "C", + "CB", + "O", + "CG", + "CG1", + "CG2", + "OG", + "OG1", + "SG", + "CD", + "CD1", + "CD2", + "ND1", + "ND2", + "OD1", + "OD2", + "SD", + "CE", + "CE1", + "CE2", + "CE3", + "NE", + "NE1", + "NE2", + "OE1", + "OE2", + "CH2", + "NH1", + "NH2", + "OH", + "CZ", + "CZ2", + "CZ3", + "NZ", + "OXT", +] +atom_order = {atom_type: i for i, atom_type in enumerate(atom_types)} +atom_type_num = len(atom_types) # := 37. + +# A compact atom encoding with 14 columns +# pylint: disable=line-too-long +# pylint: disable=bad-whitespace +restype_name_to_atom14_names = { + "ALA": ["N", "CA", "C", "O", "CB", "", "", "", "", "", "", "", "", ""], + "ARG": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD", + "NE", + "CZ", + "NH1", + "NH2", + "", + "", + "", + ], + "ASN": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "OD1", + "ND2", + "", + "", + "", + "", + "", + "", + ], + "ASP": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "OD1", + "OD2", + "", + "", + "", + "", + "", + "", + ], + "CYS": ["N", "CA", "C", "O", "CB", "SG", "", "", "", "", "", "", "", ""], + "GLN": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD", + "OE1", + "NE2", + "", + "", + "", + "", + "", + ], + "GLU": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD", + "OE1", + "OE2", + "", + "", + "", + "", + "", + ], + "GLY": ["N", "CA", "C", "O", "", "", "", "", "", "", "", "", "", ""], + "HIS": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "ND1", + "CD2", + "CE1", + "NE2", + "", + "", + "", + "", + ], + "ILE": [ + "N", + "CA", + "C", + "O", + "CB", + "CG1", + "CG2", + "CD1", + "", + "", + "", + "", + "", + "", + ], + "LEU": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD1", + "CD2", + "", + "", + "", + "", + "", + "", + ], + "LYS": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD", + "CE", + "NZ", + "", + "", + "", + "", + "", + ], + "MET": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "SD", + "CE", + "", + "", + "", + "", + "", + "", + ], + "PHE": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD1", + "CD2", + "CE1", + "CE2", + "CZ", + "", + "", + "", + ], + "PRO": ["N", "CA", "C", "O", "CB", "CG", "CD", "", "", "", "", "", "", ""], + "SER": ["N", "CA", "C", "O", "CB", "OG", "", "", "", "", "", "", "", ""], + "THR": [ + "N", + "CA", + "C", + "O", + "CB", + "OG1", + "CG2", + "", + "", + "", + "", + "", + "", + "", + ], + "TRP": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD1", + "CD2", + "NE1", + "CE2", + "CE3", + "CZ2", + "CZ3", + "CH2", + ], + "TYR": [ + "N", + "CA", + "C", + "O", + "CB", + "CG", + "CD1", + "CD2", + "CE1", + "CE2", + "CZ", + "OH", + "", + "", + ], + "VAL": [ + "N", + "CA", + "C", + "O", + "CB", + "CG1", + "CG2", + "", + "", + "", + "", + "", + "", + "", + ], + "UNK": ["", "", "", "", "", "", "", "", "", "", "", "", "", ""], +} +# pylint: enable=line-too-long +# pylint: enable=bad-whitespace + + +# This is the standard residue order when coding AA type as a number. +# Reproduce it by taking 3-letter AA codes and sorting them alphabetically. +restypes = [ + "A", + "R", + "N", + "D", + "C", + "Q", + "E", + "G", + "H", + "I", + "L", + "K", + "M", + "F", + "P", + "S", + "T", + "W", + "Y", + "V", +] +restype_order = {restype: i for i, restype in enumerate(restypes)} +restype_num = len(restypes) # := 20. +unk_restype_index = restype_num # Catch-all index for unknown restypes. + +restypes_with_x = restypes + ["X"] +restype_order_with_x = {restype: i for i, restype in enumerate(restypes_with_x)} + + +def sequence_to_onehot( + sequence: str, + mapping: Mapping[str, int], + map_unknown_to_x: bool = False, + x_token="X", +) -> np.ndarray: + """Maps the given sequence into a one-hot encoded matrix. + + Args: + sequence: An amino acid sequence. + mapping: A dictionary mapping amino acids to integers. + map_unknown_to_x: If True, any amino acid that is not in the mapping will be + mapped to the unknown amino acid 'X'. If the mapping doesn't contain + amino acid 'X', an error will be thrown. If False, any amino acid not in + the mapping will throw an error. + + Returns: + A numpy array of shape (seq_len, num_unique_aas) with one-hot encoding of + the sequence. + + Raises: + ValueError: If the mapping doesn't contain values from 0 to + num_unique_aas - 1 without any gaps. + """ + num_entries = max(mapping.values()) + 1 + + if sorted(set(mapping.values())) != list(range(num_entries)): + raise ValueError( + "The mapping must have values from 0 to num_unique_aas-1 " + "without any gaps. Got: %s" % sorted(mapping.values()) + ) + + one_hot_arr = np.zeros((len(sequence), num_entries), dtype=np.int32) + + for aa_index, aa_type in enumerate(sequence): + if map_unknown_to_x: + if aa_type.isalpha() and aa_type.isupper(): + aa_id = mapping.get(aa_type, mapping[x_token]) + else: + raise ValueError(f"Invalid character in the sequence: {aa_type}") + else: + aa_id = mapping[aa_type] + one_hot_arr[aa_index, aa_id] = 1 + + return one_hot_arr + + +restype_1to3 = { + "A": "ALA", + "R": "ARG", + "N": "ASN", + "D": "ASP", + "C": "CYS", + "Q": "GLN", + "E": "GLU", + "G": "GLY", + "H": "HIS", + "I": "ILE", + "L": "LEU", + "K": "LYS", + "M": "MET", + "F": "PHE", + "P": "PRO", + "S": "SER", + "T": "THR", + "W": "TRP", + "Y": "TYR", + "V": "VAL", +} + + +# NB: restype_3to1 differs from Bio.PDB.protein_letters_3to1 by being a simple +# 1-to-1 mapping of 3 letter names to one letter names. The latter contains +# many more, and less common, three letter names as keys and maps many of these +# to the same one letter name (including 'X' and 'U' which we don't use here). +restype_3to1 = {v: k for k, v in restype_1to3.items()} + +# Define a restype name for all unknown residues. +unk_restype = "UNK" + +resnames = [restype_1to3[r] for r in restypes] + [unk_restype] +resname_to_idx = {resname: i for i, resname in enumerate(resnames)} + + +# The mapping here uses hhblits convention, so that B is mapped to D, J and O +# are mapped to X, U is mapped to C, and Z is mapped to E. Other than that the +# remaining 20 amino acids are kept in alphabetical order. +# There are 2 non-amino acid codes, X (representing any amino acid) and +# "-" representing a missing amino acid in an alignment. The id for these +# codes is put at the end (20 and 21) so that they can easily be ignored if +# desired. +HHBLITS_AA_TO_ID = { + "A": 0, + "B": 2, + "C": 1, + "D": 2, + "E": 3, + "F": 4, + "G": 5, + "H": 6, + "I": 7, + "J": 20, + "K": 8, + "L": 9, + "M": 10, + "N": 11, + "O": 20, + "P": 12, + "Q": 13, + "R": 14, + "S": 15, + "T": 16, + "U": 1, + "V": 17, + "W": 18, + "X": 20, + "Y": 19, + "Z": 3, + "-": 21, +} + +# Partial inversion of HHBLITS_AA_TO_ID. +ID_TO_HHBLITS_AA = { + 0: "A", + 1: "C", # Also U. + 2: "D", # Also B. + 3: "E", # Also Z. + 4: "F", + 5: "G", + 6: "H", + 7: "I", + 8: "K", + 9: "L", + 10: "M", + 11: "N", + 12: "P", + 13: "Q", + 14: "R", + 15: "S", + 16: "T", + 17: "V", + 18: "W", + 19: "Y", + 20: "X", # Includes J and O. + 21: "-", +} + +restypes_with_x_and_gap = restypes + ["X", "-"] +MAP_HHBLITS_AATYPE_TO_OUR_AATYPE = tuple( + restypes_with_x_and_gap.index(ID_TO_HHBLITS_AA[i]) + for i in range(len(restypes_with_x_and_gap)) +) + + +def _make_standard_atom_mask() -> np.ndarray: + """Returns [num_res_types, num_atom_types] mask array.""" + # +1 to account for unknown (all 0s). + mask = np.zeros([restype_num + 1, atom_type_num], dtype=np.int32) + for restype, restype_letter in enumerate(restypes): + restype_name = restype_1to3[restype_letter] + atom_names = residue_atoms[restype_name] + for atom_name in atom_names: + atom_type = atom_order[atom_name] + mask[restype, atom_type] = 1 + return mask + + +STANDARD_ATOM_MASK = _make_standard_atom_mask() + + +# A one hot representation for the first and second atoms defining the axis +# of rotation for each chi-angle in each residue. +def chi_angle_atom(atom_index: int) -> np.ndarray: + """Define chi-angle rigid groups via one-hot representations.""" + chi_angles_index = {} + one_hots = [] + + for k, v in chi_angles_atoms.items(): + indices = [atom_types.index(s[atom_index]) for s in v] + indices.extend([-1] * (4 - len(indices))) + chi_angles_index[k] = indices + + for r in restypes: + res3 = restype_1to3[r] + one_hot = np.eye(atom_type_num)[chi_angles_index[res3]] + one_hots.append(one_hot) + + one_hots.append(np.zeros([4, atom_type_num])) # Add zeros for residue `X`. + one_hot = np.stack(one_hots, axis=0) + one_hot = np.transpose(one_hot, [0, 2, 1]) + + return one_hot + + +chi_atom_1_one_hot = chi_angle_atom(1) +chi_atom_2_one_hot = chi_angle_atom(2) + +# An array like chi_angles_atoms but using indices rather than names. +chi_angles_atom_indices = [chi_angles_atoms[restype_1to3[r]] for r in restypes] +chi_angles_atom_indices = tree.map_structure( + lambda atom_name: atom_order[atom_name], chi_angles_atom_indices +) +chi_angles_atom_indices = np.array( + [ + chi_atoms + ([[0, 0, 0, 0]] * (4 - len(chi_atoms))) + for chi_atoms in chi_angles_atom_indices + ] +) + +# Mapping from (res_name, atom_name) pairs to the atom's chi group index +# and atom index within that group. +chi_groups_for_atom = collections.defaultdict(list) +for res_name, chi_angle_atoms_for_res in chi_angles_atoms.items(): + for chi_group_i, chi_group in enumerate(chi_angle_atoms_for_res): + for atom_i, atom in enumerate(chi_group): + chi_groups_for_atom[(res_name, atom)].append((chi_group_i, atom_i)) +chi_groups_for_atom = dict(chi_groups_for_atom) + + +def _make_rigid_transformation_4x4(ex, ey, translation): + """Create a rigid 4x4 transformation matrix from two axes and transl.""" + # Normalize ex. + ex_normalized = ex / np.linalg.norm(ex) + + # make ey perpendicular to ex + ey_normalized = ey - np.dot(ey, ex_normalized) * ex_normalized + ey_normalized /= np.linalg.norm(ey_normalized) + + # compute ez as cross product + eznorm = np.cross(ex_normalized, ey_normalized) + m = np.stack([ex_normalized, ey_normalized, eznorm, translation]).transpose() + m = np.concatenate([m, [[0.0, 0.0, 0.0, 1.0]]], axis=0) + return m + + +# create an array with (restype, atomtype) --> rigid_group_idx +# and an array with (restype, atomtype, coord) for the atom positions +# and compute affine transformation matrices (4,4) from one rigid group to the +# previous group +restype_atom37_to_rigid_group = np.zeros([21, 37], dtype=int) +restype_atom37_mask = np.zeros([21, 37], dtype=np.float32) +restype_atom37_rigid_group_positions = np.zeros([21, 37, 3], dtype=np.float32) +restype_atom14_to_rigid_group = np.zeros([21, 14], dtype=int) +restype_atom14_mask = np.zeros([21, 14], dtype=np.float32) +restype_atom14_rigid_group_positions = np.zeros([21, 14, 3], dtype=np.float32) +restype_rigid_group_default_frame = np.zeros([21, 8, 4, 4], dtype=np.float32) + + +def _make_rigid_group_constants(): + """Fill the arrays above.""" + for restype, restype_letter in enumerate(restypes): + resname = restype_1to3[restype_letter] + for atomname, group_idx, atom_position in rigid_group_atom_positions[resname]: + atomtype = atom_order[atomname] + restype_atom37_to_rigid_group[restype, atomtype] = group_idx + restype_atom37_mask[restype, atomtype] = 1 + restype_atom37_rigid_group_positions[restype, atomtype, :] = atom_position + + atom14idx = restype_name_to_atom14_names[resname].index(atomname) + restype_atom14_to_rigid_group[restype, atom14idx] = group_idx + restype_atom14_mask[restype, atom14idx] = 1 + restype_atom14_rigid_group_positions[restype, atom14idx, :] = atom_position + + for restype, restype_letter in enumerate(restypes): + resname = restype_1to3[restype_letter] + atom_positions = { + name: np.array(pos) for name, _, pos in rigid_group_atom_positions[resname] + } + + # backbone to backbone is the identity transform + restype_rigid_group_default_frame[restype, 0, :, :] = np.eye(4) + + # pre-omega-frame to backbone (currently dummy identity matrix) + restype_rigid_group_default_frame[restype, 1, :, :] = np.eye(4) + + # phi-frame to backbone + mat = _make_rigid_transformation_4x4( + ex=atom_positions["N"] - atom_positions["CA"], + ey=np.array([1.0, 0.0, 0.0]), + translation=atom_positions["N"], + ) + restype_rigid_group_default_frame[restype, 2, :, :] = mat + + # psi-frame to backbone + mat = _make_rigid_transformation_4x4( + ex=atom_positions["C"] - atom_positions["CA"], + ey=atom_positions["CA"] - atom_positions["N"], + translation=atom_positions["C"], + ) + restype_rigid_group_default_frame[restype, 3, :, :] = mat + + # chi1-frame to backbone + if chi_angles_mask[restype][0]: + base_atom_names = chi_angles_atoms[resname][0] + base_atom_positions = [atom_positions[name] for name in base_atom_names] + mat = _make_rigid_transformation_4x4( + ex=base_atom_positions[2] - base_atom_positions[1], + ey=base_atom_positions[0] - base_atom_positions[1], + translation=base_atom_positions[2], + ) + restype_rigid_group_default_frame[restype, 4, :, :] = mat + + # chi2-frame to chi1-frame + # chi3-frame to chi2-frame + # chi4-frame to chi3-frame + # luckily all rotation axes for the next frame start at (0,0,0) of the + # previous frame + for chi_idx in range(1, 4): + if chi_angles_mask[restype][chi_idx]: + axis_end_atom_name = chi_angles_atoms[resname][chi_idx][2] + axis_end_atom_position = atom_positions[axis_end_atom_name] + mat = _make_rigid_transformation_4x4( + ex=axis_end_atom_position, + ey=np.array([-1.0, 0.0, 0.0]), + translation=axis_end_atom_position, + ) + restype_rigid_group_default_frame[restype, 4 + chi_idx, :, :] = mat + + +_make_rigid_group_constants() + + +def make_atom14_dists_bounds(overlap_tolerance=1.5, bond_length_tolerance_factor=15): + """compute upper and lower bounds for bonds to assess violations.""" + restype_atom14_bond_lower_bound = np.zeros([21, 14, 14], np.float32) + restype_atom14_bond_upper_bound = np.zeros([21, 14, 14], np.float32) + restype_atom14_bond_stddev = np.zeros([21, 14, 14], np.float32) + residue_bonds, residue_virtual_bonds, _ = load_stereo_chemical_props() + for restype, restype_letter in enumerate(restypes): + resname = restype_1to3[restype_letter] + atom_list = restype_name_to_atom14_names[resname] + + # create lower and upper bounds for clashes + for atom1_idx, atom1_name in enumerate(atom_list): + if not atom1_name: + continue + atom1_radius = van_der_waals_radius[atom1_name[0]] + for atom2_idx, atom2_name in enumerate(atom_list): + if (not atom2_name) or atom1_idx == atom2_idx: + continue + atom2_radius = van_der_waals_radius[atom2_name[0]] + lower = atom1_radius + atom2_radius - overlap_tolerance + upper = 1e10 + restype_atom14_bond_lower_bound[restype, atom1_idx, atom2_idx] = lower + restype_atom14_bond_lower_bound[restype, atom2_idx, atom1_idx] = lower + restype_atom14_bond_upper_bound[restype, atom1_idx, atom2_idx] = upper + restype_atom14_bond_upper_bound[restype, atom2_idx, atom1_idx] = upper + + # overwrite lower and upper bounds for bonds and angles + for b in residue_bonds[resname] + residue_virtual_bonds[resname]: + atom1_idx = atom_list.index(b.atom1_name) + atom2_idx = atom_list.index(b.atom2_name) + lower = b.length - bond_length_tolerance_factor * b.stddev + upper = b.length + bond_length_tolerance_factor * b.stddev + restype_atom14_bond_lower_bound[restype, atom1_idx, atom2_idx] = lower + restype_atom14_bond_lower_bound[restype, atom2_idx, atom1_idx] = lower + restype_atom14_bond_upper_bound[restype, atom1_idx, atom2_idx] = upper + restype_atom14_bond_upper_bound[restype, atom2_idx, atom1_idx] = upper + restype_atom14_bond_stddev[restype, atom1_idx, atom2_idx] = b.stddev + restype_atom14_bond_stddev[restype, atom2_idx, atom1_idx] = b.stddev + return { + "lower_bound": restype_atom14_bond_lower_bound, # shape (21,14,14) + "upper_bound": restype_atom14_bond_upper_bound, # shape (21,14,14) + "stddev": restype_atom14_bond_stddev, # shape (21,14,14) + } + + +restype_atom14_ambiguous_atoms = np.zeros((21, 14), dtype=np.float32) +restype_atom14_ambiguous_atoms_swap_idx = np.tile(np.arange(14, dtype=int), (21, 1)) + + +def _make_atom14_ambiguity_feats(): + for res, pairs in residue_atom_renaming_swaps.items(): + res_idx = restype_order[restype_3to1[res]] + for atom1, atom2 in pairs.items(): + atom1_idx = restype_name_to_atom14_names[res].index(atom1) + atom2_idx = restype_name_to_atom14_names[res].index(atom2) + restype_atom14_ambiguous_atoms[res_idx, atom1_idx] = 1 + restype_atom14_ambiguous_atoms[res_idx, atom2_idx] = 1 + restype_atom14_ambiguous_atoms_swap_idx[res_idx, atom1_idx] = atom2_idx + restype_atom14_ambiguous_atoms_swap_idx[res_idx, atom2_idx] = atom1_idx + + +_make_atom14_ambiguity_feats() + + +def aatype_to_str_sequence(aatype): + return "".join([restypes_with_x[aatype[i]] for i in range(len(aatype))]) + + +### ALPHAFOLD MULTIMER STUFF ### +def _make_chi_atom_indices(): + """Returns atom indices needed to compute chi angles for all residue types. + + Returns: + A tensor of shape [residue_types=21, chis=4, atoms=4]. The residue types are + in the order specified in residue_constants.restypes + unknown residue type + at the end. For chi angles which are not defined on the residue, the + positions indices are by default set to 0. + """ + chi_atom_indices = [] + for residue_name in restypes: + residue_name = restype_1to3[residue_name] + residue_chi_angles = chi_angles_atoms[residue_name] + atom_indices = [] + for chi_angle in residue_chi_angles: + atom_indices.append([atom_order[atom] for atom in chi_angle]) + for _ in range(4 - len(atom_indices)): + atom_indices.append([0, 0, 0, 0]) # For chi angles not defined on the AA. + chi_atom_indices.append(atom_indices) + + chi_atom_indices.append([[0, 0, 0, 0]] * 4) # For UNKNOWN residue. + + return np.array(chi_atom_indices) + + +def _make_renaming_matrices(): + """Matrices to map atoms to symmetry partners in ambiguous case.""" + # As the atom naming is ambiguous for 7 of the 20 amino acids, provide + # alternative groundtruth coordinates where the naming is swapped + restype_3 = [restype_1to3[res] for res in restypes] + restype_3 += ["UNK"] + # Matrices for renaming ambiguous atoms. + all_matrices = {res: np.eye(14, dtype=np.float32) for res in restype_3} + for resname, swap in residue_atom_renaming_swaps.items(): + correspondences = np.arange(14) + for source_atom_swap, target_atom_swap in swap.items(): + source_index = restype_name_to_atom14_names[resname].index(source_atom_swap) + target_index = restype_name_to_atom14_names[resname].index(target_atom_swap) + correspondences[source_index] = target_index + correspondences[target_index] = source_index + renaming_matrix = np.zeros((14, 14), dtype=np.float32) + for index, correspondence in enumerate(correspondences): + renaming_matrix[index, correspondence] = 1.0 + all_matrices[resname] = renaming_matrix.astype(np.float32) + renaming_matrices = np.stack([all_matrices[restype] for restype in restype_3]) + return renaming_matrices + + +def _make_restype_atom37_mask(): + """Mask of which atoms are present for which residue type in atom37.""" + # create the corresponding mask + restype_atom37_mask = np.zeros([21, 37], dtype=np.float32) + for restype, restype_letter in enumerate(restypes): + restype_name = restype_1to3[restype_letter] + atom_names = residue_atoms[restype_name] + for atom_name in atom_names: + atom_type = atom_order[atom_name] + restype_atom37_mask[restype, atom_type] = 1 + return restype_atom37_mask + + +def _make_restype_atom14_mask(): + """Mask of which atoms are present for which residue type in atom14.""" + restype_atom14_mask = [] + + for rt in restypes: + atom_names = restype_name_to_atom14_names[restype_1to3[rt]] + restype_atom14_mask.append([(1.0 if name else 0.0) for name in atom_names]) + + restype_atom14_mask.append([0.0] * 14) + restype_atom14_mask = np.array(restype_atom14_mask, dtype=np.float32) + return restype_atom14_mask + + +def _make_restype_atom37_to_atom14(): + """Map from atom37 to atom14 per residue type.""" + restype_atom37_to_atom14 = [] # mapping (restype, atom37) --> atom14 + for rt in restypes: + atom_names = restype_name_to_atom14_names[restype_1to3[rt]] + atom_name_to_idx14 = {name: i for i, name in enumerate(atom_names)} + restype_atom37_to_atom14.append( + [ + (atom_name_to_idx14[name] if name in atom_name_to_idx14 else 0) + for name in atom_types + ] + ) + + restype_atom37_to_atom14.append([0] * 37) + restype_atom37_to_atom14 = np.array(restype_atom37_to_atom14, dtype=np.int32) + return restype_atom37_to_atom14 + + +def _make_restype_atom14_to_atom37(): + """Map from atom14 to atom37 per residue type.""" + restype_atom14_to_atom37 = [] # mapping (restype, atom14) --> atom37 + for rt in restypes: + atom_names = restype_name_to_atom14_names[restype_1to3[rt]] + restype_atom14_to_atom37.append( + [(atom_order[name] if name else 0) for name in atom_names] + ) + # Add dummy mapping for restype 'UNK' + restype_atom14_to_atom37.append([0] * 14) + restype_atom14_to_atom37 = np.array(restype_atom14_to_atom37, dtype=np.int32) + return restype_atom14_to_atom37 + + +def _make_restype_atom14_is_ambiguous(): + """Mask which atoms are ambiguous in atom14.""" + # create an ambiguous atoms mask. shape: (21, 14) + restype_atom14_is_ambiguous = np.zeros((21, 14), dtype=np.float32) + for resname, swap in residue_atom_renaming_swaps.items(): + for atom_name1, atom_name2 in swap.items(): + restype = restype_order[restype_3to1[resname]] + atom_idx1 = restype_name_to_atom14_names[resname].index(atom_name1) + atom_idx2 = restype_name_to_atom14_names[resname].index(atom_name2) + restype_atom14_is_ambiguous[restype, atom_idx1] = 1 + restype_atom14_is_ambiguous[restype, atom_idx2] = 1 + + return restype_atom14_is_ambiguous + + +def _make_restype_rigidgroup_base_atom37_idx(): + """Create Map from rigidgroups to atom37 indices.""" + # Create an array with the atom names. + # shape (num_restypes, num_rigidgroups, 3_atoms): (21, 8, 3) + base_atom_names = np.full([21, 8, 3], "", dtype=object) + + # 0: backbone frame + base_atom_names[:, 0, :] = ["C", "CA", "N"] + + # 3: 'psi-group' + base_atom_names[:, 3, :] = ["CA", "C", "O"] + + # 4,5,6,7: 'chi1,2,3,4-group' + for restype, restype_letter in enumerate(restypes): + resname = restype_1to3[restype_letter] + for chi_idx in range(4): + if chi_angles_mask[restype][chi_idx]: + atom_names = chi_angles_atoms[resname][chi_idx] + base_atom_names[restype, chi_idx + 4, :] = atom_names[1:] + + # Translate atom names into atom37 indices. + lookuptable = atom_order.copy() + lookuptable[""] = 0 + restype_rigidgroup_base_atom37_idx = np.vectorize(lambda x: lookuptable[x])( + base_atom_names + ) + return restype_rigidgroup_base_atom37_idx + + +CHI_ATOM_INDICES = _make_chi_atom_indices() +RENAMING_MATRICES = _make_renaming_matrices() +RESTYPE_ATOM14_TO_ATOM37 = _make_restype_atom14_to_atom37() +RESTYPE_ATOM37_TO_ATOM14 = _make_restype_atom37_to_atom14() +RESTYPE_ATOM37_MASK = _make_restype_atom37_mask() +RESTYPE_ATOM14_MASK = _make_restype_atom14_mask() +RESTYPE_ATOM14_IS_AMBIGUOUS = _make_restype_atom14_is_ambiguous() +RESTYPE_RIGIDGROUP_BASE_ATOM37_IDX = _make_restype_rigidgroup_base_atom37_idx() + +# Create mask for existing rigid groups. +RESTYPE_RIGIDGROUP_MASK = np.zeros([21, 8], dtype=np.float32) +RESTYPE_RIGIDGROUP_MASK[:, 0] = 1 +RESTYPE_RIGIDGROUP_MASK[:, 3] = 1 +RESTYPE_RIGIDGROUP_MASK[:20, 4:] = chi_angles_mask diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/all_atom_multimer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/all_atom_multimer.py new file mode 100644 index 0000000000000000000000000000000000000000..2a126865cb0d923747c15e5cd41a9c8e3720b120 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/all_atom_multimer.py @@ -0,0 +1,468 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Ops for all atom representations.""" + +from functools import partial +from typing import Dict, Text, Tuple + +import numpy as np +import torch + +from protenix.openfold_local.np import residue_constants as rc +from protenix.openfold_local.utils import geometry, tensor_utils +from protenix.openfold_local.utils.geometry.rigid_matrix_vector import Rigid3Array + + +def squared_difference(x, y): + return np.square(x - y) + + +def get_rc_tensor(rc_np, aatype): + return torch.tensor(rc_np, device=aatype.device)[aatype] + + +def atom14_to_atom37( + atom14_data: torch.Tensor, aatype: torch.Tensor # (*, N, 14, ...) # (*, N) +) -> Tuple: # (*, N, 37, ...) + """Convert atom14 to atom37 representation.""" + idx_atom37_to_atom14 = get_rc_tensor(rc.RESTYPE_ATOM37_TO_ATOM14, aatype).long() + no_batch_dims = len(aatype.shape) - 1 + atom37_data = tensor_utils.batched_gather( + atom14_data, + idx_atom37_to_atom14, + dim=no_batch_dims + 1, + no_batch_dims=no_batch_dims + 1, + ) + atom37_mask = get_rc_tensor(rc.RESTYPE_ATOM37_MASK, aatype) + if len(atom14_data.shape) == no_batch_dims + 2: + atom37_data *= atom37_mask + elif len(atom14_data.shape) == no_batch_dims + 3: + atom37_data *= atom37_mask[..., None].to(dtype=atom37_data.dtype) + else: + raise ValueError("Incorrectly shaped data") + return atom37_data, atom37_mask + + +def atom37_to_atom14(aatype, all_atom_pos, all_atom_mask): + """Convert Atom37 positions to Atom14 positions.""" + residx_atom14_to_atom37 = get_rc_tensor(rc.RESTYPE_ATOM14_TO_ATOM37, aatype) + no_batch_dims = len(aatype.shape) + atom14_mask = tensor_utils.batched_gather( + all_atom_mask, + residx_atom14_to_atom37, + dim=no_batch_dims + 1, + no_batch_dims=no_batch_dims + 1, + ).to(all_atom_pos.dtype) + # create a mask for known groundtruth positions + atom14_mask *= get_rc_tensor(rc.RESTYPE_ATOM14_MASK, aatype) + # gather the groundtruth positions + atom14_positions = ( + tensor_utils.batched_gather( + all_atom_pos, + residx_atom14_to_atom37, + dim=no_batch_dims + 1, + no_batch_dims=no_batch_dims + 1, + ), + ) + atom14_positions = atom14_mask * atom14_positions + return atom14_positions, atom14_mask + + +def get_alt_atom14(aatype, positions: torch.Tensor, mask): + """Get alternative atom14 positions.""" + # pick the transformation matrices for the given residue sequence + # shape (num_res, 14, 14) + renaming_transform = get_rc_tensor(rc.RENAMING_MATRICES, aatype) + alternative_positions = torch.sum( + positions[..., None, :] * renaming_transform[..., None], dim=-2 + ) + + # Create the mask for the alternative ground truth (differs from the + # ground truth mask, if only one of the atoms in an ambiguous pair has a + # ground truth position) + alternative_mask = torch.sum(mask[..., None] * renaming_transform, dim=-2) + + return alternative_positions, alternative_mask + + +def atom37_to_frames( + aatype: torch.Tensor, # (...) + all_atom_positions: torch.Tensor, # (..., 37) + all_atom_mask: torch.Tensor, # (..., 37) +) -> dict[Text, torch.Tensor]: + """Computes the frames for the up to 8 rigid groups for each residue.""" + # 0: 'backbone group', + # 1: 'pre-omega-group', (empty) + # 2: 'phi-group', (currently empty, because it defines only hydrogens) + # 3: 'psi-group', + # 4,5,6,7: 'chi1,2,3,4-group' + + no_batch_dims = len(aatype.shape) - 1 + + # Compute the gather indices for all residues in the chain. + # shape (N, 8, 3) + residx_rigidgroup_base_atom37_idx = get_rc_tensor( + rc.RESTYPE_RIGIDGROUP_BASE_ATOM37_IDX, aatype + ) + + # Gather the base atom positions for each rigid group. + base_atom_pos = tensor_utils.batched_gather( + all_atom_positions, + residx_rigidgroup_base_atom37_idx, + dim=no_batch_dims + 1, + batch_dims=no_batch_dims + 1, + ) + + # Compute the Rigids. + point_on_neg_x_axis = base_atom_pos[..., :, :, 0] + origin = base_atom_pos[..., :, :, 1] + point_on_xy_plane = base_atom_pos[..., :, :, 2] + gt_rotation = geometry.Rot3Array.from_two_vectors( + origin - point_on_neg_x_axis, point_on_xy_plane - origin + ) + + gt_frames = geometry.Rigid3Array(gt_rotation, origin) + + # Compute a mask whether the group exists. + # (N, 8) + group_exists = get_rc_tensor(rc.RESTYPE_RIGIDGROUP_MASK, aatype) + + # Compute a mask whether ground truth exists for the group + gt_atoms_exist = tensor_utils.batched_gather( # shape (N, 8, 3) + all_atom_mask.to(dtype=all_atom_positions.dtype), + residx_rigidgroup_base_atom37_idx, + batch_dims=no_batch_dims + 1, + ) + gt_exists = torch.min(gt_atoms_exist, dim=-1) * group_exists # (N, 8) + + # Adapt backbone frame to old convention (mirror x-axis and z-axis). + rots = np.tile(np.eye(3, dtype=all_atom_positions.dtype), [8, 1, 1]) + rots[0, 0, 0] = -1 + rots[0, 2, 2] = -1 + gt_frames = gt_frames.compose_rotation( + geometry.Rot3Array.from_array(torch.tensor(rots, device=aatype.device)) + ) + + # The frames for ambiguous rigid groups are just rotated by 180 degree around + # the x-axis. The ambiguous group is always the last chi-group. + restype_rigidgroup_is_ambiguous = np.zeros([21, 8], dtype=all_atom_positions.dtype) + restype_rigidgroup_rots = np.tile( + np.eye(3, dtype=all_atom_positions.dtype), [21, 8, 1, 1] + ) + + for resname, _ in rc.residue_atom_renaming_swaps.items(): + restype = rc.restype_order[rc.restype_3to1[resname]] + chi_idx = int(sum(rc.chi_angles_mask[restype]) - 1) + restype_rigidgroup_is_ambiguous[restype, chi_idx + 4] = 1 + restype_rigidgroup_rots[restype, chi_idx + 4, 1, 1] = -1 + restype_rigidgroup_rots[restype, chi_idx + 4, 2, 2] = -1 + + # Gather the ambiguity information for each residue. + residx_rigidgroup_is_ambiguous = torch.tensor( + restype_rigidgroup_is_ambiguous, + device=aatype.device, + )[aatype] + ambiguity_rot = torch.tensor( + restype_rigidgroup_rots, + device=aatype.device, + )[aatype] + ambiguity_rot = geometry.Rot3Array.from_array( + torch.Tensor(ambiguity_rot, device=aatype.device) + ) + + # Create the alternative ground truth frames. + alt_gt_frames = gt_frames.compose_rotation(ambiguity_rot) + + fix_shape = lambda x: x.reshape(x.shape[:-2] + (8,)) + + # reshape back to original residue layout + gt_frames = fix_shape(gt_frames) + gt_exists = fix_shape(gt_exists) + group_exists = fix_shape(group_exists) + residx_rigidgroup_is_ambiguous = fix_shape(residx_rigidgroup_is_ambiguous) + alt_gt_frames = fix_shape(alt_gt_frames) + + return { + "rigidgroups_gt_frames": gt_frames, # Rigid (..., 8) + "rigidgroups_gt_exists": gt_exists, # (..., 8) + "rigidgroups_group_exists": group_exists, # (..., 8) + "rigidgroups_group_is_ambiguous": residx_rigidgroup_is_ambiguous, # (..., 8) + "rigidgroups_alt_gt_frames": alt_gt_frames, # Rigid (..., 8) + } + + +def torsion_angles_to_frames( + aatype: torch.Tensor, # (N) + backb_to_global: geometry.Rigid3Array, # (N) + torsion_angles_sin_cos: torch.Tensor, # (N, 7, 2) +) -> geometry.Rigid3Array: # (N, 8) + """Compute rigid group frames from torsion angles.""" + # Gather the default frames for all rigid groups. + # geometry.Rigid3Array with shape (N, 8) + m = get_rc_tensor(rc.restype_rigid_group_default_frame, aatype) + default_frames = geometry.Rigid3Array.from_array4x4(m) + + # Create the rotation matrices according to the given angles (each frame is + # defined such that its rotation is around the x-axis). + sin_angles = torsion_angles_sin_cos[..., 0] + cos_angles = torsion_angles_sin_cos[..., 1] + + # insert zero rotation for backbone group. + num_residues = aatype.shape[-1] + sin_angles = torch.cat( + [ + torch.zeros_like(aatype).unsqueeze(dim=-1), + sin_angles, + ], + dim=-1, + ) + cos_angles = torch.cat( + [torch.ones_like(aatype).unsqueeze(dim=-1), cos_angles], dim=-1 + ) + zeros = torch.zeros_like(sin_angles) + ones = torch.ones_like(sin_angles) + + # all_rots are geometry.Rot3Array with shape (..., N, 8) + all_rots = geometry.Rot3Array( + ones, + zeros, + zeros, + zeros, + cos_angles, + -sin_angles, + zeros, + sin_angles, + cos_angles, + ) + + # Apply rotations to the frames. + all_frames = default_frames.compose_rotation(all_rots) + + # chi2, chi3, and chi4 frames do not transform to the backbone frame but to + # the previous frame. So chain them up accordingly. + + chi1_frame_to_backb = all_frames[..., 4] + chi2_frame_to_backb = chi1_frame_to_backb @ all_frames[..., 5] + chi3_frame_to_backb = chi2_frame_to_backb @ all_frames[..., 6] + chi4_frame_to_backb = chi3_frame_to_backb @ all_frames[..., 7] + + all_frames_to_backb = Rigid3Array.cat( + [ + all_frames[..., 0:5], + chi2_frame_to_backb[..., None], + chi3_frame_to_backb[..., None], + chi4_frame_to_backb[..., None], + ], + dim=-1, + ) + + # Create the global frames. + # shape (N, 8) + all_frames_to_global = backb_to_global[..., None] @ all_frames_to_backb + + return all_frames_to_global + + +def frames_and_literature_positions_to_atom14_pos( + aatype: torch.Tensor, all_frames_to_global: geometry.Rigid3Array # (*, N) # (N, 8) +) -> geometry.Vec3Array: # (*, N, 14) + """Put atom literature positions (atom14 encoding) in each rigid group.""" + # Pick the appropriate transform for every atom. + residx_to_group_idx = get_rc_tensor(rc.restype_atom14_to_rigid_group, aatype) + group_mask = torch.nn.functional.one_hot( + residx_to_group_idx, num_classes=8 + ) # shape (*, N, 14, 8) + + # geometry.Rigid3Array with shape (N, 14) + map_atoms_to_global = all_frames_to_global[..., None, :] * group_mask + map_atoms_to_global = map_atoms_to_global.map_tensor_fn(partial(torch.sum, dim=-1)) + + # Gather the literature atom positions for each residue. + # geometry.Vec3Array with shape (N, 14) + lit_positions = geometry.Vec3Array.from_array( + get_rc_tensor(rc.restype_atom14_rigid_group_positions, aatype) + ) + + # Transform each atom from its local frame to the global frame. + # geometry.Vec3Array with shape (N, 14) + pred_positions = map_atoms_to_global.apply_to_point(lit_positions) + + # Mask out non-existing atoms. + mask = get_rc_tensor(rc.restype_atom14_mask, aatype) + pred_positions = pred_positions * mask + + return pred_positions + + +def extreme_ca_ca_distance_violations( + positions: geometry.Vec3Array, # (N, 37(14)) + mask: torch.Tensor, # (N, 37(14)) + residue_index: torch.Tensor, # (N) + max_angstrom_tolerance=1.5, + eps: float = 1e-6, +) -> torch.Tensor: + """Counts residues whose Ca is a large distance from its neighbor.""" + this_ca_pos = positions[..., :-1, 1] # (N - 1,) + this_ca_mask = mask[..., :-1, 1] # (N - 1) + next_ca_pos = positions[..., 1:, 1] # (N - 1,) + next_ca_mask = mask[..., 1:, 1] # (N - 1) + has_no_gap_mask = ( + (residue_index[..., 1:] - residue_index[..., :-1]) == 1.0 + ).astype(positions.x.dtype) + ca_ca_distance = geometry.euclidean_distance(this_ca_pos, next_ca_pos, eps) + violations = (ca_ca_distance - rc.ca_ca) > max_angstrom_tolerance + mask = this_ca_mask * next_ca_mask * has_no_gap_mask + return tensor_utils.masked_mean(mask=mask, value=violations, dim=-1) + + +def get_chi_atom_indices(device: torch.device): + """Returns atom indices needed to compute chi angles for all residue types. + + Returns: + A tensor of shape [residue_types=21, chis=4, atoms=4]. The residue types are + in the order specified in rc.restypes + unknown residue type + at the end. For chi angles which are not defined on the residue, the + positions indices are by default set to 0. + """ + chi_atom_indices = [] + for residue_name in rc.restypes: + residue_name = rc.restype_1to3[residue_name] + residue_chi_angles = rc.chi_angles_atoms[residue_name] + atom_indices = [] + for chi_angle in residue_chi_angles: + atom_indices.append([rc.atom_order[atom] for atom in chi_angle]) + for _ in range(4 - len(atom_indices)): + atom_indices.append([0, 0, 0, 0]) # For chi angles not defined on the AA. + chi_atom_indices.append(atom_indices) + + chi_atom_indices.append([[0, 0, 0, 0]] * 4) # For UNKNOWN residue. + return torch.tensor(chi_atom_indices, device=device) + + +def compute_chi_angles( + positions: geometry.Vec3Array, mask: torch.Tensor, aatype: torch.Tensor +): + """Computes the chi angles given all atom positions and the amino acid type. + + Args: + positions: A Vec3Array of shape + [num_res, rc.atom_type_num], with positions of + atoms needed to calculate chi angles. Supports up to 1 batch dimension. + mask: An optional tensor of shape + [num_res, rc.atom_type_num] that masks which atom + positions are set for each residue. If given, then the chi mask will be + set to 1 for a chi angle only if the amino acid has that chi angle and all + the chi atoms needed to calculate that chi angle are set. If not given + (set to None), the chi mask will be set to 1 for a chi angle if the amino + acid has that chi angle and whether the actual atoms needed to calculate + it were set will be ignored. + aatype: A tensor of shape [num_res] with amino acid type integer + code (0 to 21). Supports up to 1 batch dimension. + + Returns: + A tuple of tensors (chi_angles, mask), where both have shape + [num_res, 4]. The mask masks out unused chi angles for amino acid + types that have less than 4 chi angles. If atom_positions_mask is set, the + chi mask will also mask out uncomputable chi angles. + """ + + # Don't assert on the num_res and batch dimensions as they might be unknown. + assert positions.shape[-1] == rc.atom_type_num + assert mask.shape[-1] == rc.atom_type_num + no_batch_dims = len(aatype.shape) - 1 + + # Compute the table of chi angle indices. Shape: [restypes, chis=4, atoms=4]. + chi_atom_indices = get_chi_atom_indices(aatype.device) + + # DISCREPANCY: DeepMind doesn't remove the gaps here. I don't know why + # theirs works. + aatype_gapless = torch.clamp(aatype, max=20) + + # Select atoms to compute chis. Shape: [*, num_res, chis=4, atoms=4]. + atom_indices = chi_atom_indices[aatype_gapless] + # Gather atom positions. Shape: [num_res, chis=4, atoms=4, xyz=3]. + chi_angle_atoms = positions.map_tensor_fn( + partial( + tensor_utils.batched_gather, + inds=atom_indices, + dim=-1, + no_batch_dims=no_batch_dims + 1, + ) + ) + + a, b, c, d = [chi_angle_atoms[..., i] for i in range(4)] + + chi_angles = geometry.dihedral_angle(a, b, c, d) + + # Copy the chi angle mask, add the UNKNOWN residue. Shape: [restypes, 4]. + chi_angles_mask = list(rc.chi_angles_mask) + chi_angles_mask.append([0.0, 0.0, 0.0, 0.0]) + chi_angles_mask = torch.tensor(chi_angles_mask, device=aatype.device) + # Compute the chi angle mask. Shape [num_res, chis=4]. + chi_mask = chi_angles_mask[aatype_gapless] + + # The chi_mask is set to 1 only when all necessary chi angle atoms were set. + # Gather the chi angle atoms mask. Shape: [num_res, chis=4, atoms=4]. + chi_angle_atoms_mask = tensor_utils.batched_gather( + mask, atom_indices, dim=-1, no_batch_dims=no_batch_dims + 1 + ) + # Check if all 4 chi angle atoms were set. Shape: [num_res, chis=4]. + chi_angle_atoms_mask = torch.prod(chi_angle_atoms_mask, dim=-1) + chi_mask = chi_mask * chi_angle_atoms_mask.to(chi_angles.dtype) + + return chi_angles, chi_mask + + +def make_transform_from_reference( + a_xyz: geometry.Vec3Array, b_xyz: geometry.Vec3Array, c_xyz: geometry.Vec3Array +) -> geometry.Rigid3Array: + """Returns rotation and translation matrices to convert from reference. + + Note that this method does not take care of symmetries. If you provide the + coordinates in the non-standard way, the A atom will end up in the negative + y-axis rather than in the positive y-axis. You need to take care of such + cases in your code. + + Args: + a_xyz: A Vec3Array. + b_xyz: A Vec3Array. + c_xyz: A Vec3Array. + + Returns: + A Rigid3Array which, when applied to coordinates in a canonicalized + reference frame, will give coordinates approximately equal + the original coordinates (in the global frame). + """ + rotation = geometry.Rot3Array.from_two_vectors(c_xyz - b_xyz, a_xyz - b_xyz) + return geometry.Rigid3Array(rotation, b_xyz) + + +def make_backbone_affine( + positions: geometry.Vec3Array, + mask: torch.Tensor, + aatype: torch.Tensor, +) -> Tuple[geometry.Rigid3Array, torch.Tensor]: + a = rc.atom_order["N"] + b = rc.atom_order["CA"] + c = rc.atom_order["C"] + + rigid_mask = mask[..., a] * mask[..., b] * mask[..., c] + + rigid = make_transform_from_reference( + a_xyz=positions[..., a], + b_xyz=positions[..., b], + c_xyz=positions[..., c], + ) + + return rigid, rigid_mask diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/checkpointing.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/checkpointing.py new file mode 100644 index 0000000000000000000000000000000000000000..149fdec69a5f57a5db1ea96e87f26e49198ddd41 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/checkpointing.py @@ -0,0 +1,96 @@ +# Copyright 2021 AlQuraishi Laboratory +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import importlib +from typing import Any, List, Callable, Optional + +deepspeed_is_installed = importlib.util.find_spec("deepspeed") is not None +if deepspeed_is_installed: + import deepspeed + +import torch +import torch.utils.checkpoint + + +BLOCK_ARG = Any +BLOCK_ARGS = List[BLOCK_ARG] + + +def get_checkpoint_fn(): + deepspeed_is_configured = ( + deepspeed_is_installed and deepspeed.checkpointing.is_configured() + ) + if deepspeed_is_configured: + checkpoint = deepspeed.checkpointing.checkpoint + else: + checkpoint = torch.utils.checkpoint.checkpoint + + return checkpoint + + +@torch.jit.ignore +def checkpoint_blocks( + blocks: List[Callable], + args: BLOCK_ARGS, + blocks_per_ckpt: Optional[int], +) -> BLOCK_ARGS: + """ + Chunk a list of blocks and run each chunk with activation + checkpointing. We define a "block" as a callable whose only inputs are + the outputs of the previous block. + + Implements Subsection 1.11.8 + + Args: + blocks: + List of blocks + args: + Tuple of arguments for the first block. + blocks_per_ckpt: + Size of each chunk. A higher value corresponds to fewer + checkpoints, and trades memory for speed. If None, no checkpointing + is performed. + Returns: + The output of the final block + """ + + def wrap(a): + return (a,) if type(a) is not tuple else a + + def exec(b, a): + for block in b: + a = wrap(block(*a)) + return a + + def chunker(s, e): + def exec_sliced(*a): + return exec(blocks[s:e], a) + + return exec_sliced + + # Avoids mishaps when the blocks take just one argument + args = wrap(args) + + if blocks_per_ckpt is None or not torch.is_grad_enabled(): + return exec(blocks, args) + elif blocks_per_ckpt < 1 or blocks_per_ckpt > len(blocks): + raise ValueError("blocks_per_ckpt must be between 1 and len(blocks)") + + checkpoint = get_checkpoint_fn() + + for s in range(0, len(blocks), blocks_per_ckpt): + e = s + blocks_per_ckpt + args = checkpoint(chunker(s, e), *args) + args = wrap(args) + + return args diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/chunk_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/chunk_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..3a7dc885961c3347280ff078314a2fe6338a508f --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/chunk_utils.py @@ -0,0 +1,411 @@ +# Copyright 2021 AlQuraishi Laboratory +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import logging +import math +from functools import partial +from typing import Any, Callable, Dict, List, Optional, Sequence, Tuple + +import torch + +from protenix.openfold_local.utils.tensor_utils import tensor_tree_map, tree_map + + +def _fetch_dims(tree): + shapes = [] + tree_type = type(tree) + if tree_type is dict: + for v in tree.values(): + shapes.extend(_fetch_dims(v)) + elif tree_type is list or tree_type is tuple: + for t in tree: + shapes.extend(_fetch_dims(t)) + elif tree_type is torch.Tensor: + shapes.append(tree.shape) + else: + raise ValueError("Not supported") + + return shapes + + +@torch.jit.ignore +def _flat_idx_to_idx( + flat_idx: int, + dims: Tuple[int], +) -> Tuple[int]: + idx = [] + for d in reversed(dims): + idx.append(flat_idx % d) + flat_idx = flat_idx // d + + return tuple(reversed(idx)) + + +@torch.jit.ignore +def _get_minimal_slice_set( + start: Sequence[int], + end: Sequence[int], + dims: int, + start_edges: Optional[Sequence[bool]] = None, + end_edges: Optional[Sequence[bool]] = None, +) -> Sequence[Tuple[int]]: + """ + Produces an ordered sequence of tensor slices that, when used in + sequence on a tensor with shape dims, yields tensors that contain every + leaf in the contiguous range [start, end]. Care is taken to yield a + short sequence of slices, and perhaps even the shortest possible (I'm + pretty sure it's the latter). + + end is INCLUSIVE. + """ + + # start_edges and end_edges both indicate whether, starting from any given + # dimension, the start/end index is at the top/bottom edge of the + # corresponding tensor, modeled as a tree + def reduce_edge_list(l): + tally = 1 + for i in range(len(l)): + reversed_idx = -1 * (i + 1) + l[reversed_idx] *= tally + tally = l[reversed_idx] + + if start_edges is None: + start_edges = [s == 0 for s in start] + reduce_edge_list(start_edges) + if end_edges is None: + end_edges = [e == (d - 1) for e, d in zip(end, dims)] + reduce_edge_list(end_edges) + + # Base cases. Either start/end are empty and we're done, or the final, + # one-dimensional tensor can be simply sliced + if len(start) == 0: + return [tuple()] + elif len(start) == 1: + return [(slice(start[0], end[0] + 1),)] + + slices = [] + path = [] + + # Dimensions common to start and end can be selected directly + for s, e in zip(start, end): + if s == e: + path.append(slice(s, s + 1)) + else: + break + + path = tuple(path) + divergence_idx = len(path) + + # start == end, and we're done + if divergence_idx == len(dims): + return [tuple(path)] + + def upper(): + sdi = start[divergence_idx] + return [ + path + (slice(sdi, sdi + 1),) + s + for s in _get_minimal_slice_set( + start[divergence_idx + 1 :], + [d - 1 for d in dims[divergence_idx + 1 :]], + dims[divergence_idx + 1 :], + start_edges=start_edges[divergence_idx + 1 :], + end_edges=[1 for _ in end_edges[divergence_idx + 1 :]], + ) + ] + + def lower(): + edi = end[divergence_idx] + return [ + path + (slice(edi, edi + 1),) + s + for s in _get_minimal_slice_set( + [0 for _ in start[divergence_idx + 1 :]], + end[divergence_idx + 1 :], + dims[divergence_idx + 1 :], + start_edges=[1 for _ in start_edges[divergence_idx + 1 :]], + end_edges=end_edges[divergence_idx + 1 :], + ) + ] + + # If both start and end are at the edges of the subtree rooted at + # divergence_idx, we can just select the whole subtree at once + if start_edges[divergence_idx] and end_edges[divergence_idx]: + slices.append(path + (slice(start[divergence_idx], end[divergence_idx] + 1),)) + # If just start is at the edge, we can grab almost all of the subtree, + # treating only the ragged bottom edge as an edge case + elif start_edges[divergence_idx]: + slices.append(path + (slice(start[divergence_idx], end[divergence_idx]),)) + slices.extend(lower()) + # Analogous to the previous case, but the top is ragged this time + elif end_edges[divergence_idx]: + slices.extend(upper()) + slices.append( + path + (slice(start[divergence_idx] + 1, end[divergence_idx] + 1),) + ) + # If both sides of the range are ragged, we need to handle both sides + # separately. If there's contiguous meat in between them, we can index it + # in one big chunk + else: + slices.extend(upper()) + middle_ground = end[divergence_idx] - start[divergence_idx] + if middle_ground > 1: + slices.append( + path + (slice(start[divergence_idx] + 1, end[divergence_idx]),) + ) + slices.extend(lower()) + + return [tuple(s) for s in slices] + + +@torch.jit.ignore +def _chunk_slice( + t: torch.Tensor, + flat_start: int, + flat_end: int, + no_batch_dims: int, +) -> torch.Tensor: + """ + Equivalent to + + t.reshape((-1,) + t.shape[no_batch_dims:])[flat_start:flat_end] + + but without the need for the initial reshape call, which can be + memory-intensive in certain situations. The only reshape operations + in this function are performed on sub-tensors that scale with + (flat_end - flat_start), the chunk size. + """ + + batch_dims = t.shape[:no_batch_dims] + start_idx = list(_flat_idx_to_idx(flat_start, batch_dims)) + # _get_minimal_slice_set is inclusive + end_idx = list(_flat_idx_to_idx(flat_end - 1, batch_dims)) + + # Get an ordered list of slices to perform + slices = _get_minimal_slice_set( + start_idx, + end_idx, + batch_dims, + ) + + sliced_tensors = [t[s] for s in slices] + + return torch.cat([s.view((-1,) + t.shape[no_batch_dims:]) for s in sliced_tensors]) + + +def chunk_layer( + layer: Callable, + inputs: dict[str, Any], + chunk_size: int, + no_batch_dims: int, + low_mem: bool = False, + _out: Any = None, + _add_into_out: bool = False, +) -> Any: + """ + Implements the "chunking" procedure described in section 1.11.8. + + Layer outputs and inputs are assumed to be simple "pytrees," + consisting only of (arbitrarily nested) lists, tuples, and dicts with + torch.Tensor leaves. + + Args: + layer: + The layer to be applied chunk-wise + inputs: + A (non-nested) dictionary of keyworded inputs. All leaves must + be tensors and must share the same batch dimensions. + chunk_size: + The number of sub-batches per chunk. If multiple batch + dimensions are specified, a "sub-batch" is defined as a single + indexing of all batch dimensions simultaneously (s.t. the + number of sub-batches is the product of the batch dimensions). + no_batch_dims: + How many of the initial dimensions of each input tensor can + be considered batch dimensions. + low_mem: + Avoids flattening potentially large input tensors. Unnecessary + in most cases, and is ever so slightly slower than the default + setting. + Returns: + The reassembled output of the layer on the inputs. + """ + if not (len(inputs) > 0): + raise ValueError("Must provide at least one input") + + initial_dims = [shape[:no_batch_dims] for shape in _fetch_dims(inputs)] + orig_batch_dims = tuple([max(s) for s in zip(*initial_dims)]) + + def _prep_inputs(t): + if not low_mem: + if not sum(t.shape[:no_batch_dims]) == no_batch_dims: + t = t.expand(orig_batch_dims + t.shape[no_batch_dims:]) + t = t.reshape(-1, *t.shape[no_batch_dims:]) + else: + t = t.expand(orig_batch_dims + t.shape[no_batch_dims:]) + return t + + prepped_inputs = tensor_tree_map(_prep_inputs, inputs) + prepped_outputs = None + if _out is not None: + reshape_fn = lambda t: t.view([-1] + list(t.shape[no_batch_dims:])) + prepped_outputs = tensor_tree_map(reshape_fn, _out) + + flat_batch_dim = 1 + for d in orig_batch_dims: + flat_batch_dim *= d + + no_chunks = flat_batch_dim // chunk_size + (flat_batch_dim % chunk_size != 0) + + i = 0 + out = prepped_outputs + for _ in range(no_chunks): + # Chunk the input + if not low_mem: + select_chunk = lambda t: t[i : i + chunk_size] if t.shape[0] != 1 else t + else: + select_chunk = partial( + _chunk_slice, + flat_start=i, + flat_end=min(flat_batch_dim, i + chunk_size), + no_batch_dims=len(orig_batch_dims), + ) + + chunks = tensor_tree_map(select_chunk, prepped_inputs) + + # Run the layer on the chunk + output_chunk = layer(**chunks) + + # Allocate space for the output + if out is None: + allocate = lambda t: t.new_zeros((flat_batch_dim,) + t.shape[1:]) + out = tensor_tree_map(allocate, output_chunk) + + # Put the chunk in its pre-allocated space + out_type = type(output_chunk) + if out_type is dict: + + def assign(d1, d2): + for k, v in d1.items(): + if type(v) is dict: + assign(v, d2[k]) + else: + if _add_into_out: + v[i : i + chunk_size] += d2[k] + else: + v[i : i + chunk_size] = d2[k] + + assign(out, output_chunk) + elif out_type is tuple: + for x1, x2 in zip(out, output_chunk): + if _add_into_out: + x1[i : i + chunk_size] += x2 + else: + x1[i : i + chunk_size] = x2 + elif out_type is torch.Tensor: + if _add_into_out: + out[i : i + chunk_size] += output_chunk + else: + out[i : i + chunk_size] = output_chunk + else: + raise ValueError("Not supported") + + i += chunk_size + + reshape = lambda t: t.view(orig_batch_dims + t.shape[1:]) + out = tensor_tree_map(reshape, out) + + return out + + +class ChunkSizeTuner: + def __init__( + self, + # Heuristically, runtimes for most of the modules in the network + # plateau earlier than this on all GPUs I've run the model on. + max_chunk_size=512, + ): + self.max_chunk_size = max_chunk_size + self.cached_chunk_size = None + self.cached_arg_data = None + + def _determine_favorable_chunk_size(self, fn, args, min_chunk_size): + logging.info("Tuning chunk size...") + + if min_chunk_size >= self.max_chunk_size: + return min_chunk_size + + candidates = [2**l for l in range(int(math.log(self.max_chunk_size, 2)) + 1)] + candidates = [c for c in candidates if c > min_chunk_size] + candidates = [min_chunk_size] + candidates + candidates[-1] += 4 + + def test_chunk_size(chunk_size): + try: + with torch.no_grad(): + fn(*args, chunk_size=chunk_size) + return True + except RuntimeError: + return False + + min_viable_chunk_size_index = 0 + i = len(candidates) - 1 + while i > min_viable_chunk_size_index: + viable = test_chunk_size(candidates[i]) + if not viable: + i = (min_viable_chunk_size_index + i) // 2 + else: + min_viable_chunk_size_index = i + i = (i + len(candidates) - 1) // 2 + + return candidates[min_viable_chunk_size_index] + + def _compare_arg_caches(self, ac1, ac2): + consistent = True + for a1, a2 in zip(ac1, ac2): + assert type(ac1) == type(ac2) + if type(ac1) is list or type(ac1) is tuple: + consistent &= self._compare_arg_caches(a1, a2) + elif type(ac1) is dict: + a1_items = [v for _, v in sorted(a1.items(), key=lambda x: x[0])] + a2_items = [v for _, v in sorted(a2.items(), key=lambda x: x[0])] + consistent &= self._compare_arg_caches(a1_items, a2_items) + else: + consistent &= a1 == a2 + + return consistent + + def tune_chunk_size( + self, + representative_fn: Callable, + args: Tuple[Any], + min_chunk_size: int, + ) -> int: + consistent = True + remove_tensors = lambda a: a.shape if type(a) is torch.Tensor else a + arg_data = tree_map(remove_tensors, args, object) + if self.cached_arg_data is not None: + # If args have changed shape/value, we need to re-tune + assert len(self.cached_arg_data) == len(arg_data) + consistent = self._compare_arg_caches(self.cached_arg_data, arg_data) + else: + # Otherwise, we can reuse the precomputed value + consistent = False + + if not consistent: + self.cached_chunk_size = self._determine_favorable_chunk_size( + representative_fn, + args, + min_chunk_size, + ) + self.cached_arg_data = arg_data + + return self.cached_chunk_size diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/feats.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/feats.py new file mode 100644 index 0000000000000000000000000000000000000000..bb26efe21ad1461c3247acc477ab328923b005aa --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/feats.py @@ -0,0 +1,268 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import math +from typing import Dict, Union + +import numpy as np +import torch +import torch.nn as nn + +import protenix.openfold_local.np.residue_constants as rc +from protenix.openfold_local.utils.geometry import rigid_matrix_vector +from protenix.openfold_local.utils.rigid_utils import Rigid +from protenix.openfold_local.utils.tensor_utils import batched_gather + + +def pseudo_beta_fn(aatype, all_atom_positions, all_atom_masks): + is_gly = aatype == rc.restype_order["G"] + ca_idx = rc.atom_order["CA"] + cb_idx = rc.atom_order["CB"] + pseudo_beta = torch.where( + is_gly[..., None].expand(*((-1,) * len(is_gly.shape)), 3), + all_atom_positions[..., ca_idx, :], + all_atom_positions[..., cb_idx, :], + ) + + if all_atom_masks is not None: + pseudo_beta_mask = torch.where( + is_gly, + all_atom_masks[..., ca_idx], + all_atom_masks[..., cb_idx], + ) + return pseudo_beta, pseudo_beta_mask + else: + return pseudo_beta + + +def atom14_to_atom37(atom14, batch): + atom37_data = batched_gather( + atom14, + batch["residx_atom37_to_atom14"], + dim=-2, + no_batch_dims=len(atom14.shape[:-2]), + ) + + atom37_data = atom37_data * batch["atom37_atom_exists"][..., None] + + return atom37_data + + +def build_template_angle_feat(template_feats): + template_aatype = template_feats["template_aatype"] + torsion_angles_sin_cos = template_feats["template_torsion_angles_sin_cos"] + alt_torsion_angles_sin_cos = template_feats["template_alt_torsion_angles_sin_cos"] + torsion_angles_mask = template_feats["template_torsion_angles_mask"] + template_angle_feat = torch.cat( + [ + nn.functional.one_hot(template_aatype, 22), + torsion_angles_sin_cos.reshape(*torsion_angles_sin_cos.shape[:-2], 14), + alt_torsion_angles_sin_cos.reshape( + *alt_torsion_angles_sin_cos.shape[:-2], 14 + ), + torsion_angles_mask, + ], + dim=-1, + ) + + return template_angle_feat + + +def dgram_from_positions( + pos: torch.Tensor, + min_bin: float = 3.25, + max_bin: float = 50.75, + no_bins: float = 39, + inf: float = 1e8, +): + dgram = torch.sum( + (pos[..., None, :] - pos[..., None, :, :]) ** 2, dim=-1, keepdim=True + ) + lower = torch.linspace(min_bin, max_bin, no_bins, device=pos.device) ** 2 + upper = torch.cat([lower[1:], lower.new_tensor([inf])], dim=-1) + dgram = ((dgram > lower) * (dgram < upper)).type(dgram.dtype) + + return dgram + + +def build_template_pair_feat( + batch, min_bin, max_bin, no_bins, use_unit_vector=False, eps=1e-20, inf=1e8 +): + template_mask = batch["template_pseudo_beta_mask"] + template_mask_2d = template_mask[..., None] * template_mask[..., None, :] + + # Compute distogram (this seems to differ slightly from Alg. 5) + tpb = batch["template_pseudo_beta"] + dgram = dgram_from_positions(tpb, min_bin, max_bin, no_bins, inf) + + to_concat = [dgram, template_mask_2d[..., None]] + + aatype_one_hot = nn.functional.one_hot( + batch["template_aatype"], + rc.restype_num + 2, + ) + + n_res = batch["template_aatype"].shape[-1] + to_concat.append( + aatype_one_hot[..., None, :, :].expand( + *aatype_one_hot.shape[:-2], n_res, -1, -1 + ) + ) + to_concat.append( + aatype_one_hot[..., None, :].expand(*aatype_one_hot.shape[:-2], -1, n_res, -1) + ) + + n, ca, c = [rc.atom_order[a] for a in ["N", "CA", "C"]] + rigids = Rigid.make_transform_from_reference( + n_xyz=batch["template_all_atom_positions"][..., n, :], + ca_xyz=batch["template_all_atom_positions"][..., ca, :], + c_xyz=batch["template_all_atom_positions"][..., c, :], + eps=eps, + ) + points = rigids.get_trans()[..., None, :, :] + rigid_vec = rigids[..., None].invert_apply(points) + + inv_distance_scalar = torch.rsqrt(eps + torch.sum(rigid_vec**2, dim=-1)) + + t_aa_masks = batch["template_all_atom_mask"] + template_mask = t_aa_masks[..., n] * t_aa_masks[..., ca] * t_aa_masks[..., c] + template_mask_2d = template_mask[..., None] * template_mask[..., None, :] + + inv_distance_scalar = inv_distance_scalar * template_mask_2d + unit_vector = rigid_vec * inv_distance_scalar[..., None] + + if not use_unit_vector: + unit_vector = unit_vector * 0.0 + + to_concat.extend(torch.unbind(unit_vector[..., None, :], dim=-1)) + to_concat.append(template_mask_2d[..., None]) + + act = torch.cat(to_concat, dim=-1) + act = act * template_mask_2d[..., None] + + return act + + +def build_extra_msa_feat(batch): + msa_1hot = nn.functional.one_hot(batch["extra_msa"], 23) + msa_feat = [ + msa_1hot, + batch["extra_has_deletion"].unsqueeze(-1), + batch["extra_deletion_value"].unsqueeze(-1), + ] + return torch.cat(msa_feat, dim=-1) + + +def torsion_angles_to_frames( + r: Union[Rigid, rigid_matrix_vector.Rigid3Array], + alpha: torch.Tensor, + aatype: torch.Tensor, + rrgdf: torch.Tensor, +): + + rigid_type = type(r) + + # [*, N, 8, 4, 4] + default_4x4 = rrgdf[aatype, ...] + + # [*, N, 8] transformations, i.e. + # One [*, N, 8, 3, 3] rotation matrix and + # One [*, N, 8, 3] translation matrix + default_r = rigid_type.from_tensor_4x4(default_4x4) + + bb_rot = alpha.new_zeros((*((1,) * len(alpha.shape[:-1])), 2)) + bb_rot[..., 1] = 1 + + # [*, N, 8, 2] + alpha = torch.cat([bb_rot.expand(*alpha.shape[:-2], -1, -1), alpha], dim=-2) + + # [*, N, 8, 3, 3] + # Produces rotation matrices of the form: + # [ + # [1, 0 , 0 ], + # [0, a_2,-a_1], + # [0, a_1, a_2] + # ] + # This follows the original code rather than the supplement, which uses + # different indices. + + all_rots = alpha.new_zeros(default_r.shape + (4, 4)) + all_rots[..., 0, 0] = 1 + all_rots[..., 1, 1] = alpha[..., 1] + all_rots[..., 1, 2] = -alpha[..., 0] + all_rots[..., 2, 1:3] = alpha + + all_rots = rigid_type.from_tensor_4x4(all_rots) + all_frames = default_r.compose(all_rots) + + chi2_frame_to_frame = all_frames[..., 5] + chi3_frame_to_frame = all_frames[..., 6] + chi4_frame_to_frame = all_frames[..., 7] + + chi1_frame_to_bb = all_frames[..., 4] + chi2_frame_to_bb = chi1_frame_to_bb.compose(chi2_frame_to_frame) + chi3_frame_to_bb = chi2_frame_to_bb.compose(chi3_frame_to_frame) + chi4_frame_to_bb = chi3_frame_to_bb.compose(chi4_frame_to_frame) + + all_frames_to_bb = rigid_type.cat( + [ + all_frames[..., :5], + chi2_frame_to_bb.unsqueeze(-1), + chi3_frame_to_bb.unsqueeze(-1), + chi4_frame_to_bb.unsqueeze(-1), + ], + dim=-1, + ) + + all_frames_to_global = r[..., None].compose(all_frames_to_bb) + + return all_frames_to_global + + +def frames_and_literature_positions_to_atom14_pos( + r: Union[Rigid, rigid_matrix_vector.Rigid3Array], + aatype: torch.Tensor, + default_frames, + group_idx, + atom_mask, + lit_positions, +): + # [*, N, 14, 4, 4] + default_4x4 = default_frames[aatype, ...] + + # [*, N, 14] + group_mask = group_idx[aatype, ...] + + # [*, N, 14, 8] + group_mask = nn.functional.one_hot( + group_mask, + num_classes=default_frames.shape[-3], + ) + + # [*, N, 14, 8] + t_atoms_to_global = r[..., None, :] * group_mask + + # [*, N, 14] + t_atoms_to_global = t_atoms_to_global.map_tensor_fn(lambda x: torch.sum(x, dim=-1)) + + # [*, N, 14] + atom_mask = atom_mask[aatype, ...].unsqueeze(-1) + + # [*, N, 14, 3] + lit_positions = lit_positions[aatype, ...] + pred_positions = t_atoms_to_global.apply(lit_positions) + pred_positions = pred_positions * atom_mask + + return pred_positions diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..2c30b714cbd4994bd11006d717917a00b03709d7 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/__init__.py @@ -0,0 +1,28 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Geometry Module.""" + +from protenix.openfold_local.utils.geometry import rigid_matrix_vector +from protenix.openfold_local.utils.geometry import rotation_matrix +from protenix.openfold_local.utils.geometry import vector + +Rot3Array = rotation_matrix.Rot3Array +Rigid3Array = rigid_matrix_vector.Rigid3Array + +Vec3Array = vector.Vec3Array +square_euclidean_distance = vector.square_euclidean_distance +euclidean_distance = vector.euclidean_distance +dihedral_angle = vector.dihedral_angle +dot = vector.dot +cross = vector.cross diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/quat_rigid.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/quat_rigid.py new file mode 100644 index 0000000000000000000000000000000000000000..51a81bc10fe86fd557252569816b0e990f158cce --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/quat_rigid.py @@ -0,0 +1,42 @@ +import torch +import torch.nn as nn + +from protenix.openfold_local.model.primitives import Linear +from protenix.openfold_local.utils.geometry.rigid_matrix_vector import Rigid3Array +from protenix.openfold_local.utils.geometry.rotation_matrix import Rot3Array +from protenix.openfold_local.utils.geometry.vector import Vec3Array + + +class QuatRigid(nn.Module): + def __init__(self, c_hidden, full_quat): + super().__init__() + self.full_quat = full_quat + if self.full_quat: + rigid_dim = 7 + else: + rigid_dim = 6 + + self.linear = Linear(c_hidden, rigid_dim, init="final", precision=torch.float32) + + def forward(self, activations: torch.Tensor) -> Rigid3Array: + # NOTE: During training, this needs to be run in higher precision + rigid_flat = self.linear(activations) + + rigid_flat = torch.unbind(rigid_flat, dim=-1) + if self.full_quat: + qw, qx, qy, qz = rigid_flat[:4] + translation = rigid_flat[4:] + else: + qx, qy, qz = rigid_flat[:3] + qw = torch.ones_like(qx) + translation = rigid_flat[3:] + + rotation = Rot3Array.from_quaternion( + qw, + qx, + qy, + qz, + normalize=True, + ) + translation = Vec3Array(*translation) + return Rigid3Array(rotation, translation) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/rigid_matrix_vector.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/rigid_matrix_vector.py new file mode 100644 index 0000000000000000000000000000000000000000..4509da312f57f4bc5dc0fe635b284ea992e58555 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/rigid_matrix_vector.py @@ -0,0 +1,185 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Rigid3Array Transformations represented by a Matrix and a Vector.""" + +from __future__ import annotations +import dataclasses +from typing import Union, List + +import torch + +from protenix.openfold_local.utils.geometry import rotation_matrix +from protenix.openfold_local.utils.geometry import vector + + +Float = Union[float, torch.Tensor] + + +@dataclasses.dataclass(frozen=True) +class Rigid3Array: + """Rigid Transformation, i.e. element of special euclidean group.""" + + rotation: rotation_matrix.Rot3Array + translation: vector.Vec3Array + + def __matmul__(self, other: Rigid3Array) -> Rigid3Array: + new_rotation = self.rotation @ other.rotation # __matmul__ + new_translation = self.apply_to_point(other.translation) + return Rigid3Array(new_rotation, new_translation) + + def __getitem__(self, index) -> Rigid3Array: + return Rigid3Array( + self.rotation[index], + self.translation[index], + ) + + def __mul__(self, other: torch.Tensor) -> Rigid3Array: + return Rigid3Array( + self.rotation * other, + self.translation * other, + ) + + def map_tensor_fn(self, fn) -> Rigid3Array: + return Rigid3Array( + self.rotation.map_tensor_fn(fn), + self.translation.map_tensor_fn(fn), + ) + + def inverse(self) -> Rigid3Array: + """Return Rigid3Array corresponding to inverse transform.""" + inv_rotation = self.rotation.inverse() + inv_translation = inv_rotation.apply_to_point(-self.translation) + return Rigid3Array(inv_rotation, inv_translation) + + def apply_to_point(self, point: vector.Vec3Array) -> vector.Vec3Array: + """Apply Rigid3Array transform to point.""" + return self.rotation.apply_to_point(point) + self.translation + + def apply(self, point: torch.Tensor) -> torch.Tensor: + return self.apply_to_point(vector.Vec3Array.from_array(point)).to_tensor() + + def apply_inverse_to_point(self, point: vector.Vec3Array) -> vector.Vec3Array: + """Apply inverse Rigid3Array transform to point.""" + new_point = point - self.translation + return self.rotation.apply_inverse_to_point(new_point) + + def invert_apply(self, point: torch.Tensor) -> torch.Tensor: + return self.apply_inverse_to_point( + vector.Vec3Array.from_array(point) + ).to_tensor() + + def compose_rotation(self, other_rotation): + rot = self.rotation @ other_rotation + return Rigid3Array(rot, self.translation.clone()) + + def compose(self, other_rigid): + return self @ other_rigid + + def unsqueeze(self, dim: int): + return Rigid3Array( + self.rotation.unsqueeze(dim), + self.translation.unsqueeze(dim), + ) + + @property + def shape(self) -> torch.Size: + return self.rotation.xx.shape + + @property + def dtype(self) -> torch.dtype: + return self.rotation.xx.dtype + + @property + def device(self) -> torch.device: + return self.rotation.xx.device + + @classmethod + def identity(cls, shape, device) -> Rigid3Array: + """Return identity Rigid3Array of given shape.""" + return cls( + rotation_matrix.Rot3Array.identity(shape, device), + vector.Vec3Array.zeros(shape, device), + ) + + @classmethod + def cat(cls, rigids: List[Rigid3Array], dim: int) -> Rigid3Array: + return cls( + rotation_matrix.Rot3Array.cat([r.rotation for r in rigids], dim=dim), + vector.Vec3Array.cat([r.translation for r in rigids], dim=dim), + ) + + def scale_translation(self, factor: Float) -> Rigid3Array: + """Scale translation in Rigid3Array by 'factor'.""" + return Rigid3Array(self.rotation, self.translation * factor) + + def to_tensor(self) -> torch.Tensor: + rot_array = self.rotation.to_tensor() + vec_array = self.translation.to_tensor() + array = torch.zeros( + rot_array.shape[:-2] + (4, 4), + device=rot_array.device, + dtype=rot_array.dtype, + ) + array[..., :3, :3] = rot_array + array[..., :3, 3] = vec_array + array[..., 3, 3] = 1.0 + return array + + def to_tensor_4x4(self) -> torch.Tensor: + return self.to_tensor() + + def reshape(self, new_shape) -> Rigid3Array: + rots = self.rotation.reshape(new_shape) + trans = self.translation.reshape(new_shape) + return Rigid3Array(rots, trans) + + def stop_rot_gradient(self) -> Rigid3Array: + return Rigid3Array( + self.rotation.stop_gradient(), + self.translation, + ) + + @classmethod + def from_array(cls, array): + rot = rotation_matrix.Rot3Array.from_array( + array[..., :3, :3], + ) + vec = vector.Vec3Array.from_array(array[..., :3, 3]) + return cls(rot, vec) + + @classmethod + def from_tensor_4x4(cls, array): + return cls.from_array(array) + + @classmethod + def from_array4x4(cls, array: torch.tensor) -> Rigid3Array: + """Construct Rigid3Array from homogeneous 4x4 array.""" + rotation = rotation_matrix.Rot3Array( + array[..., 0, 0], + array[..., 0, 1], + array[..., 0, 2], + array[..., 1, 0], + array[..., 1, 1], + array[..., 1, 2], + array[..., 2, 0], + array[..., 2, 1], + array[..., 2, 2], + ) + translation = vector.Vec3Array( + array[..., 0, 3], array[..., 1, 3], array[..., 2, 3] + ) + return cls(rotation, translation) + + def cuda(self) -> Rigid3Array: + return Rigid3Array.from_tensor_4x4(self.to_tensor_4x4().cuda()) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/rotation_matrix.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/rotation_matrix.py new file mode 100644 index 0000000000000000000000000000000000000000..c3c83d23f5e4f92ac6d3ab25f46e7726f2340f19 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/rotation_matrix.py @@ -0,0 +1,189 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Rot3Array Matrix Class.""" + +from __future__ import annotations +import dataclasses +from typing import List + +import torch + +from protenix.openfold_local.utils.geometry import utils +from protenix.openfold_local.utils.geometry import vector +from protenix.openfold_local.utils.tensor_utils import tensor_tree_map + + +COMPONENTS = ["xx", "xy", "xz", "yx", "yy", "yz", "zx", "zy", "zz"] + + +@dataclasses.dataclass(frozen=True) +class Rot3Array: + """Rot3Array Matrix in 3 dimensional Space implemented as struct of arrays.""" + + xx: torch.Tensor = dataclasses.field(metadata={"dtype": torch.float32}) + xy: torch.Tensor + xz: torch.Tensor + yx: torch.Tensor + yy: torch.Tensor + yz: torch.Tensor + zx: torch.Tensor + zy: torch.Tensor + zz: torch.Tensor + + __array_ufunc__ = None + + def __getitem__(self, index): + field_names = utils.get_field_names(Rot3Array) + return Rot3Array(**{name: getattr(self, name)[index] for name in field_names}) + + def __mul__(self, other: torch.Tensor): + field_names = utils.get_field_names(Rot3Array) + return Rot3Array(**{name: getattr(self, name) * other for name in field_names}) + + def __matmul__(self, other: Rot3Array) -> Rot3Array: + """Composes two Rot3Arrays.""" + c0 = self.apply_to_point(vector.Vec3Array(other.xx, other.yx, other.zx)) + c1 = self.apply_to_point(vector.Vec3Array(other.xy, other.yy, other.zy)) + c2 = self.apply_to_point(vector.Vec3Array(other.xz, other.yz, other.zz)) + return Rot3Array(c0.x, c1.x, c2.x, c0.y, c1.y, c2.y, c0.z, c1.z, c2.z) + + def map_tensor_fn(self, fn) -> Rot3Array: + field_names = utils.get_field_names(Rot3Array) + return Rot3Array(**{name: fn(getattr(self, name)) for name in field_names}) + + def inverse(self) -> Rot3Array: + """Returns inverse of Rot3Array.""" + return Rot3Array( + self.xx, + self.yx, + self.zx, + self.xy, + self.yy, + self.zy, + self.xz, + self.yz, + self.zz, + ) + + def apply_to_point(self, point: vector.Vec3Array) -> vector.Vec3Array: + """Applies Rot3Array to point.""" + return vector.Vec3Array( + self.xx * point.x + self.xy * point.y + self.xz * point.z, + self.yx * point.x + self.yy * point.y + self.yz * point.z, + self.zx * point.x + self.zy * point.y + self.zz * point.z, + ) + + def apply_inverse_to_point(self, point: vector.Vec3Array) -> vector.Vec3Array: + """Applies inverse Rot3Array to point.""" + return self.inverse().apply_to_point(point) + + def unsqueeze(self, dim: int): + return Rot3Array( + *tensor_tree_map( + lambda t: t.unsqueeze(dim), [getattr(self, c) for c in COMPONENTS] + ) + ) + + def stop_gradient(self) -> Rot3Array: + return Rot3Array(*[getattr(self, c).detach() for c in COMPONENTS]) + + @classmethod + def identity(cls, shape, device) -> Rot3Array: + """Returns identity of given shape.""" + ones = torch.ones(shape, dtype=torch.float32, device=device) + zeros = torch.zeros(shape, dtype=torch.float32, device=device) + return cls(ones, zeros, zeros, zeros, ones, zeros, zeros, zeros, ones) + + @classmethod + def from_two_vectors(cls, e0: vector.Vec3Array, e1: vector.Vec3Array) -> Rot3Array: + """Construct Rot3Array from two Vectors. + + Rot3Array is constructed such that in the corresponding frame 'e0' lies on + the positive x-Axis and 'e1' lies in the xy plane with positive sign of y. + + Args: + e0: Vector + e1: Vector + Returns: + Rot3Array + """ + # Normalize the unit vector for the x-axis, e0. + e0 = e0.normalized() + # make e1 perpendicular to e0. + c = e1.dot(e0) + e1 = (e1 - c * e0).normalized() + # Compute e2 as cross product of e0 and e1. + e2 = e0.cross(e1) + return cls(e0.x, e1.x, e2.x, e0.y, e1.y, e2.y, e0.z, e1.z, e2.z) + + @classmethod + def from_array(cls, array: torch.Tensor) -> Rot3Array: + """Construct Rot3Array Matrix from array of shape. [..., 3, 3].""" + rows = torch.unbind(array, dim=-2) + rc = [torch.unbind(e, dim=-1) for e in rows] + return cls(*[e for row in rc for e in row]) + + def to_tensor(self) -> torch.Tensor: + """Convert Rot3Array to array of shape [..., 3, 3].""" + return torch.stack( + [ + torch.stack([self.xx, self.xy, self.xz], dim=-1), + torch.stack([self.yx, self.yy, self.yz], dim=-1), + torch.stack([self.zx, self.zy, self.zz], dim=-1), + ], + dim=-2, + ) + + @classmethod + def from_quaternion( + cls, + w: torch.Tensor, + x: torch.Tensor, + y: torch.Tensor, + z: torch.Tensor, + normalize: bool = True, + eps: float = 1e-6, + ) -> Rot3Array: + """Construct Rot3Array from components of quaternion.""" + if normalize: + inv_norm = torch.rsqrt(torch.clamp(w**2 + x**2 + y**2 + z**2, min=eps)) + w = w * inv_norm + x = x * inv_norm + y = y * inv_norm + z = z * inv_norm + xx = 1.0 - 2.0 * (y**2 + z**2) + xy = 2.0 * (x * y - w * z) + xz = 2.0 * (x * z + w * y) + yx = 2.0 * (x * y + w * z) + yy = 1.0 - 2.0 * (x**2 + z**2) + yz = 2.0 * (y * z - w * x) + zx = 2.0 * (x * z - w * y) + zy = 2.0 * (y * z + w * x) + zz = 1.0 - 2.0 * (x**2 + y**2) + return cls(xx, xy, xz, yx, yy, yz, zx, zy, zz) + + def reshape(self, new_shape): + field_names = utils.get_field_names(Rot3Array) + reshape_fn = lambda t: t.reshape(new_shape) + return Rot3Array( + **{name: reshape_fn(getattr(self, name)) for name in field_names} + ) + + @classmethod + def cat(cls, rots: List[Rot3Array], dim: int) -> Rot3Array: + field_names = utils.get_field_names(Rot3Array) + cat_fn = lambda l: torch.cat(l, dim=dim) + return cls( + **{name: cat_fn([getattr(r, name) for r in rots]) for name in field_names} + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/test_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/test_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..db44fc8a16ac079053a73f4a7a9a912678c15061 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/test_utils.py @@ -0,0 +1,106 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Shared utils for tests.""" + +import dataclasses +import torch + +from protenix.openfold_local.utils.geometry import rigid_matrix_vector +from protenix.openfold_local.utils.geometry import rotation_matrix +from protenix.openfold_local.utils.geometry import vector + + +def assert_rotation_matrix_equal( + matrix1: rotation_matrix.Rot3Array, matrix2: rotation_matrix.Rot3Array +): + for field in dataclasses.fields(rotation_matrix.Rot3Array): + field = field.name + assert torch.equal(getattr(matrix1, field), getattr(matrix2, field)) + + +def assert_rotation_matrix_close( + mat1: rotation_matrix.Rot3Array, mat2: rotation_matrix.Rot3Array +): + assert torch.allclose(mat1.to_tensor(), mat2.to_tensor(), atol=1e-6) + + +def assert_array_equal_to_rotation_matrix( + array: torch.Tensor, matrix: rotation_matrix.Rot3Array +): + """Check that array and Matrix match.""" + assert torch.equal(matrix.xx, array[..., 0, 0]) + assert torch.equal(matrix.xy, array[..., 0, 1]) + assert torch.equal(matrix.xz, array[..., 0, 2]) + assert torch.equal(matrix.yx, array[..., 1, 0]) + assert torch.equal(matrix.yy, array[..., 1, 1]) + assert torch.equal(matrix.yz, array[..., 1, 2]) + assert torch.equal(matrix.zx, array[..., 2, 0]) + assert torch.equal(matrix.zy, array[..., 2, 1]) + assert torch.equal(matrix.zz, array[..., 2, 2]) + + +def assert_array_close_to_rotation_matrix( + array: torch.Tensor, matrix: rotation_matrix.Rot3Array +): + assert torch.allclose(matrix.to_tensor(), array, atol=1e-6) + + +def assert_vectors_equal(vec1: vector.Vec3Array, vec2: vector.Vec3Array): + assert torch.equal(vec1.x, vec2.x) + assert torch.equal(vec1.y, vec2.y) + assert torch.equal(vec1.z, vec2.z) + + +def assert_vectors_close(vec1: vector.Vec3Array, vec2: vector.Vec3Array): + assert torch.allclose(vec1.x, vec2.x, atol=1e-6, rtol=0.0) + assert torch.allclose(vec1.y, vec2.y, atol=1e-6, rtol=0.0) + assert torch.allclose(vec1.z, vec2.z, atol=1e-6, rtol=0.0) + + +def assert_array_close_to_vector(array: torch.Tensor, vec: vector.Vec3Array): + assert torch.allclose(vec.to_tensor(), array, atol=1e-6, rtol=0.0) + + +def assert_array_equal_to_vector(array: torch.Tensor, vec: vector.Vec3Array): + assert torch.equal(vec.to_tensor(), array) + + +def assert_rigid_equal_to_rigid( + rigid1: rigid_matrix_vector.Rigid3Array, rigid2: rigid_matrix_vector.Rigid3Array +): + assert_rot_trans_equal_to_rigid(rigid1.rotation, rigid1.translation, rigid2) + + +def assert_rigid_close_to_rigid( + rigid1: rigid_matrix_vector.Rigid3Array, rigid2: rigid_matrix_vector.Rigid3Array +): + assert_rot_trans_close_to_rigid(rigid1.rotation, rigid1.translation, rigid2) + + +def assert_rot_trans_equal_to_rigid( + rot: rotation_matrix.Rot3Array, + trans: vector.Vec3Array, + rigid: rigid_matrix_vector.Rigid3Array, +): + assert_rotation_matrix_equal(rot, rigid.rotation) + assert_vectors_equal(trans, rigid.translation) + + +def assert_rot_trans_close_to_rigid( + rot: rotation_matrix.Rot3Array, + trans: vector.Vec3Array, + rigid: rigid_matrix_vector.Rigid3Array, +): + assert_rotation_matrix_close(rot, rigid.rotation) + assert_vectors_close(trans, rigid.translation) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..6c4d52ba9969b50fa2945720b30effb8d35cc683 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/utils.py @@ -0,0 +1,22 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Utils for geometry library.""" + +import dataclasses + + +def get_field_names(cls): + fields = dataclasses.fields(cls) + field_names = [f.name for f in fields] + return field_names diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/vector.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/vector.py new file mode 100644 index 0000000000000000000000000000000000000000..d99abcb79b0314315f2fca5283c1c7428d50ef2d --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/geometry/vector.py @@ -0,0 +1,257 @@ +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +"""Vec3Array Class.""" + +from __future__ import annotations +import dataclasses +from typing import Union, List + +import torch + +Float = Union[float, torch.Tensor] + + +@dataclasses.dataclass(frozen=True) +class Vec3Array: + x: torch.Tensor = dataclasses.field(metadata={"dtype": torch.float32}) + y: torch.Tensor + z: torch.Tensor + + def __post_init__(self): + if hasattr(self.x, "dtype"): + assert self.x.dtype == self.y.dtype + assert self.x.dtype == self.z.dtype + assert all([x == y for x, y in zip(self.x.shape, self.y.shape)]) + assert all([x == z for x, z in zip(self.x.shape, self.z.shape)]) + + def __add__(self, other: Vec3Array) -> Vec3Array: + return Vec3Array( + self.x + other.x, + self.y + other.y, + self.z + other.z, + ) + + def __sub__(self, other: Vec3Array) -> Vec3Array: + return Vec3Array( + self.x - other.x, + self.y - other.y, + self.z - other.z, + ) + + def __mul__(self, other: Float) -> Vec3Array: + return Vec3Array( + self.x * other, + self.y * other, + self.z * other, + ) + + def __rmul__(self, other: Float) -> Vec3Array: + return self * other + + def __truediv__(self, other: Float) -> Vec3Array: + return Vec3Array( + self.x / other, + self.y / other, + self.z / other, + ) + + def __neg__(self) -> Vec3Array: + return self * -1 + + def __pos__(self) -> Vec3Array: + return self * 1 + + def __getitem__(self, index) -> Vec3Array: + return Vec3Array( + self.x[index], + self.y[index], + self.z[index], + ) + + def __iter__(self): + return iter((self.x, self.y, self.z)) + + @property + def shape(self): + return self.x.shape + + def map_tensor_fn(self, fn) -> Vec3Array: + return Vec3Array( + fn(self.x), + fn(self.y), + fn(self.z), + ) + + def cross(self, other: Vec3Array) -> Vec3Array: + """Compute cross product between 'self' and 'other'.""" + new_x = self.y * other.z - self.z * other.y + new_y = self.z * other.x - self.x * other.z + new_z = self.x * other.y - self.y * other.x + return Vec3Array(new_x, new_y, new_z) + + def dot(self, other: Vec3Array) -> Float: + """Compute dot product between 'self' and 'other'.""" + return self.x * other.x + self.y * other.y + self.z * other.z + + def norm(self, epsilon: float = 1e-6) -> Float: + """Compute Norm of Vec3Array, clipped to epsilon.""" + # To avoid NaN on the backward pass, we must use maximum before the sqrt + norm2 = self.dot(self) + if epsilon: + norm2 = torch.clamp(norm2, min=epsilon**2) + return torch.sqrt(norm2) + + def norm2(self): + return self.dot(self) + + def normalized(self, epsilon: float = 1e-6) -> Vec3Array: + """Return unit vector with optional clipping.""" + return self / self.norm(epsilon) + + def clone(self) -> Vec3Array: + return Vec3Array( + self.x.clone(), + self.y.clone(), + self.z.clone(), + ) + + def reshape(self, new_shape) -> Vec3Array: + x = self.x.reshape(new_shape) + y = self.y.reshape(new_shape) + z = self.z.reshape(new_shape) + + return Vec3Array(x, y, z) + + def sum(self, dim: int) -> Vec3Array: + return Vec3Array( + torch.sum(self.x, dim=dim), + torch.sum(self.y, dim=dim), + torch.sum(self.z, dim=dim), + ) + + def unsqueeze(self, dim: int): + return Vec3Array( + self.x.unsqueeze(dim), + self.y.unsqueeze(dim), + self.z.unsqueeze(dim), + ) + + @classmethod + def zeros(cls, shape, device="cpu"): + """Return Vec3Array corresponding to zeros of given shape.""" + return cls( + torch.zeros(shape, dtype=torch.float32, device=device), + torch.zeros(shape, dtype=torch.float32, device=device), + torch.zeros(shape, dtype=torch.float32, device=device), + ) + + def to_tensor(self) -> torch.Tensor: + return torch.stack([self.x, self.y, self.z], dim=-1) + + @classmethod + def from_array(cls, tensor): + return cls(*torch.unbind(tensor, dim=-1)) + + @classmethod + def cat(cls, vecs: List[Vec3Array], dim: int) -> Vec3Array: + return cls( + torch.cat([v.x for v in vecs], dim=dim), + torch.cat([v.y for v in vecs], dim=dim), + torch.cat([v.z for v in vecs], dim=dim), + ) + + +def square_euclidean_distance( + vec1: Vec3Array, vec2: Vec3Array, epsilon: float = 1e-6 +) -> Float: + """Computes square of euclidean distance between 'vec1' and 'vec2'. + + Args: + vec1: Vec3Array to compute distance to + vec2: Vec3Array to compute distance from, should be + broadcast compatible with 'vec1' + epsilon: distance is clipped from below to be at least epsilon + + Returns: + Array of square euclidean distances; + shape will be result of broadcasting 'vec1' and 'vec2' + """ + difference = vec1 - vec2 + distance = difference.dot(difference) + if epsilon: + distance = torch.clamp(distance, min=epsilon) + return distance + + +def dot(vector1: Vec3Array, vector2: Vec3Array) -> Float: + return vector1.dot(vector2) + + +def cross(vector1: Vec3Array, vector2: Vec3Array) -> Float: + return vector1.cross(vector2) + + +def norm(vector: Vec3Array, epsilon: float = 1e-6) -> Float: + return vector.norm(epsilon) + + +def normalized(vector: Vec3Array, epsilon: float = 1e-6) -> Vec3Array: + return vector.normalized(epsilon) + + +def euclidean_distance( + vec1: Vec3Array, vec2: Vec3Array, epsilon: float = 1e-6 +) -> Float: + """Computes euclidean distance between 'vec1' and 'vec2'. + + Args: + vec1: Vec3Array to compute euclidean distance to + vec2: Vec3Array to compute euclidean distance from, should be + broadcast compatible with 'vec1' + epsilon: distance is clipped from below to be at least epsilon + + Returns: + Array of euclidean distances; + shape will be result of broadcasting 'vec1' and 'vec2' + """ + distance_sq = square_euclidean_distance(vec1, vec2, epsilon**2) + distance = torch.sqrt(distance_sq) + return distance + + +def dihedral_angle(a: Vec3Array, b: Vec3Array, c: Vec3Array, d: Vec3Array) -> Float: + """Computes torsion angle for a quadruple of points. + + For points (a, b, c, d), this is the angle between the planes defined by + points (a, b, c) and (b, c, d). It is also known as the dihedral angle. + + Arguments: + a: A Vec3Array of coordinates. + b: A Vec3Array of coordinates. + c: A Vec3Array of coordinates. + d: A Vec3Array of coordinates. + + Returns: + A tensor of angles in radians: [-pi, pi]. + """ + v1 = a - b + v2 = b - c + v3 = d - c + + c1 = v1.cross(v2) + c2 = v3.cross(v2) + c3 = c2.cross(c1) + + v2_mag = v2.norm() + return torch.atan2(c3.dot(v2), v2_mag * c1.dot(c2)) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/attention_core.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/attention_core.py new file mode 100644 index 0000000000000000000000000000000000000000..ba70a00085485ec1698ad575ac06b480d0153df1 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/attention_core.py @@ -0,0 +1,101 @@ +# Copyright 2021 AlQuraishi Laboratory +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import importlib +from functools import reduce +from operator import mul + +import torch + +attn_core_inplace_cuda = importlib.import_module("attn_core_inplace_cuda") + + +SUPPORTED_DTYPES = [torch.float32, torch.bfloat16] + + +class AttentionCoreFunction(torch.autograd.Function): + @staticmethod + def forward(ctx, q, k, v, bias_1=None, bias_2=None): + if bias_1 is None and bias_2 is not None: + raise ValueError("bias_1 must be specified before bias_2") + if q.dtype not in SUPPORTED_DTYPES: + raise ValueError("Unsupported datatype") + + q = q.contiguous() + k = k.contiguous() + + # [*, H, Q, K] + attention_logits = torch.matmul( + q, + k.transpose(-1, -2), + ) + + if bias_1 is not None: + attention_logits += bias_1 + if bias_2 is not None: + attention_logits += bias_2 + + attn_core_inplace_cuda.forward_( + attention_logits, + reduce(mul, attention_logits.shape[:-1]), + attention_logits.shape[-1], + ) + + o = torch.matmul(attention_logits, v) + + ctx.bias_1_shape = bias_1.shape if bias_1 is not None else None + ctx.bias_2_shape = bias_2.shape if bias_2 is not None else None + ctx.save_for_backward(q, k, v, attention_logits) + + return o + + @staticmethod + def backward(ctx, grad_output): + q, k, v, attention_logits = ctx.saved_tensors + grad_q = grad_k = grad_v = grad_bias_1 = grad_bias_2 = None + + grad_v = torch.matmul(attention_logits.transpose(-1, -2), grad_output) + + attn_core_inplace_cuda.backward_( + attention_logits, + grad_output.contiguous(), + v.contiguous(), # v is implicitly transposed in the kernel + reduce(mul, attention_logits.shape[:-1]), + attention_logits.shape[-1], + grad_output.shape[-1], + ) + + if ctx.bias_1_shape is not None: + grad_bias_1 = torch.sum( + attention_logits, + dim=tuple(i for i, d in enumerate(ctx.bias_1_shape) if d == 1), + keepdim=True, + ) + + if ctx.bias_2_shape is not None: + grad_bias_2 = torch.sum( + attention_logits, + dim=tuple(i for i, d in enumerate(ctx.bias_2_shape) if d == 1), + keepdim=True, + ) + + grad_q = torch.matmul(attention_logits, k) + grad_k = torch.matmul( + q.transpose(-1, -2), + attention_logits, + ).transpose(-1, -2) + + return grad_q, grad_k, grad_v, grad_bias_1, grad_bias_2 + + +attention_core = AttentionCoreFunction.apply diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/compat.h b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/compat.h new file mode 100644 index 0000000000000000000000000000000000000000..bfab6aa5234de9b77669b3aa23b0cac0125b1b27 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/compat.h @@ -0,0 +1,11 @@ +// modified from https://github.com/NVIDIA/apex/blob/master/csrc/compat.h + +#ifndef TORCH_CHECK +#define TORCH_CHECK AT_CHECK +#endif + +#ifdef VERSION_GE_1_3 +#define DATA_PTR data_ptr +#else +#define DATA_PTR data +#endif diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda.cpp b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda.cpp new file mode 100644 index 0000000000000000000000000000000000000000..f31eeec6154ee22b3d03ce86d28dbb2be55fa0f9 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda.cpp @@ -0,0 +1,44 @@ +// Copyright 2021 AlQuraishi Laboratory +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. + +// modified from fastfold/model/fastnn/kernel/cuda_native/csrc/softmax_cuda.cpp + +#include + +void attn_softmax_inplace_forward_( + at::Tensor input, + long long rows, int cols +); +void attn_softmax_inplace_backward_( + at::Tensor output, + at::Tensor d_ov, + at::Tensor values, + long long rows, + int cols_output, + int cols_values +); + + +PYBIND11_MODULE(TORCH_EXTENSION_NAME, m) { + m.def( + "forward_", + &attn_softmax_inplace_forward_, + "Softmax forward (CUDA)" + ); + m.def( + "backward_", + &attn_softmax_inplace_backward_, + "Softmax backward (CUDA)" + ); +} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda_kernel.cu b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda_kernel.cu new file mode 100644 index 0000000000000000000000000000000000000000..985093654d90180578cdd25108ef9049a0c8a5dd --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda_kernel.cu @@ -0,0 +1,241 @@ +// Copyright 2021 AlQuraishi Laboratory +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. + +// modified from fastfold/model/fastnn/kernel/cuda_native/csrc/softmax_cuda_kernel.cu + +#include +#include +#include + +#include + +#include "ATen/ATen.h" +#include "ATen/cuda/CUDAContext.h" +#include "compat.h" + +#define CHECK_CUDA(x) TORCH_CHECK(x.is_cuda(), #x " must be a CUDA tensor") +#define CHECK_CONTIGUOUS(x) TORCH_CHECK(x.is_contiguous(), #x " must be contiguous") +#define CHECK_INPUT(x) \ + CHECK_CUDA(x); \ + CHECK_CONTIGUOUS(x) + +__inline__ __device__ float WarpAllReduceMax(float val) { + for (int mask = 1; mask < 32; mask *= 2) { + val = max(val, __shfl_xor_sync(0xffffffff, val, mask)); + } + return val; +} + +__inline__ __device__ float WarpAllReduceSum(float val) { + for (int mask = 1; mask < 32; mask *= 2) { + val += __shfl_xor_sync(0xffffffff, val, mask); + } + return val; +} + + +template +__global__ void attn_softmax_inplace_( + T *input, + long long rows, int cols +) { + int threadidx_x = threadIdx.x / 32; + int threadidx_y = threadIdx.x % 32; + long long row_offset = (long long)(blockIdx.x * 4 + threadidx_x); + int cols_per_thread = (cols + 31) / 32; + int cols_this_thread = cols_per_thread; + + int last_y = (cols / cols_per_thread); + + if (threadidx_y == last_y) { + cols_this_thread = cols - cols_per_thread * last_y; + } + else if (threadidx_y > last_y) { + cols_this_thread = 0; + } + + float buf[32]; + + int lane_id = threadidx_y; + + if (row_offset < rows) { + T *row_input = input + row_offset * cols; + T *row_output = row_input; + + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + int idx = lane_id * cols_per_thread + i; + buf[i] = static_cast(row_input[idx]); + } + + float thread_max = -1 * CUDART_INF_F; + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + thread_max = max(thread_max, buf[i]); + } + + float warp_max = WarpAllReduceMax(thread_max); + + float thread_sum = 0.f; + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + buf[i] = __expf(buf[i] - warp_max); + thread_sum += buf[i]; + } + + float warp_sum = WarpAllReduceSum(thread_sum); + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + row_output[lane_id * cols_per_thread + i] = + static_cast(__fdividef(buf[i], warp_sum)); + } + } +} + + +void attn_softmax_inplace_forward_( + at::Tensor input, + long long rows, int cols +) { + CHECK_INPUT(input); + const at::cuda::OptionalCUDAGuard device_guard(device_of(input)); + + int grid = (rows + 3) / 4; + dim3 block(128); + + if (input.dtype() == torch::kFloat32) { + attn_softmax_inplace_<<>>( + (float *)input.data_ptr(), + rows, cols + ); + } + else { + attn_softmax_inplace_<<>>( + (at::BFloat16 *)input.data_ptr(), + rows, cols + ); + } +} + + +template +__global__ void attn_softmax_inplace_grad_( + T *output, + T *d_ov, + T *values, + long long rows, + int cols_output, + int cols_values +) { + int threadidx_x = threadIdx.x / 32; + int threadidx_y = threadIdx.x % 32; + long long row_offset = (long long)(blockIdx.x * 4 + threadidx_x); + int cols_per_thread = (cols_output + 31) / 32; + int cols_this_thread = cols_per_thread; + int rows_values = cols_output; + // values are set to the beginning of the current + // rows_values x cols_values leaf matrix + long long value_row_offset = row_offset - row_offset % rows_values; + int last_y = (cols_output / cols_per_thread); + + if (threadidx_y == last_y) { + cols_this_thread = cols_output - cols_per_thread * last_y; + } + else if (threadidx_y > last_y) { + cols_this_thread = 0; + } + + float y_buf[32]; + float dy_buf[32]; + + int lane_id = threadidx_y; + + if (row_offset < rows) { + T *row_output = output + row_offset * cols_output; + T *row_d_ov = d_ov + row_offset * cols_values; + T *row_values = values + value_row_offset * cols_values; + + float thread_max = -1 * CUDART_INF_F; + + // Compute a chunk of the output gradient on the fly + int value_row_idx = 0; + int value_idx = 0; + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + T sum = 0.; + #pragma unroll + for (int j = 0; j < cols_values; j++) { + value_row_idx = ((lane_id * cols_per_thread) + i); + value_idx = value_row_idx * cols_values + j; + sum += row_d_ov[j] * row_values[value_idx]; + } + dy_buf[i] = static_cast(sum); + } + + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + y_buf[i] = static_cast(row_output[lane_id * cols_per_thread + i]); + } + + float thread_sum = 0.; + + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + thread_sum += y_buf[i] * dy_buf[i]; + } + + float warp_sum = WarpAllReduceSum(thread_sum); + + #pragma unroll + for (int i = 0; i < cols_this_thread; i++) { + row_output[lane_id * cols_per_thread + i] = static_cast( + (dy_buf[i] - warp_sum) * y_buf[i] + ); + } + } +} + + +void attn_softmax_inplace_backward_( + at::Tensor output, + at::Tensor d_ov, + at::Tensor values, + long long rows, + int cols_output, + int cols_values +) { + CHECK_INPUT(output); + CHECK_INPUT(d_ov); + CHECK_INPUT(values); + const at::cuda::OptionalCUDAGuard device_guard(device_of(output)); + + int grid = (rows + 3) / 4; + dim3 block(128); + + if (output.dtype() == torch::kFloat32) { + attn_softmax_inplace_grad_<<>>( + (float *)output.data_ptr(), + (float *)d_ov.data_ptr(), + (float *)values.data_ptr(), + rows, cols_output, cols_values + ); + } else { + attn_softmax_inplace_grad_<<>>( + (at::BFloat16 *)output.data_ptr(), + (at::BFloat16 *)d_ov.data_ptr(), + (at::BFloat16 *)values.data_ptr(), + rows, cols_output, cols_values + ); + } +} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda_stub.cpp b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda_stub.cpp new file mode 100644 index 0000000000000000000000000000000000000000..4539c19fb617ea56a86e4b08efec02b8ea490ff9 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/kernel/csrc/softmax_cuda_stub.cpp @@ -0,0 +1,36 @@ +// Copyright 2021 AlQuraishi Laboratory +// +// Licensed under the Apache License, Version 2.0 (the "License"); +// you may not use this file except in compliance with the License. +// You may obtain a copy of the License at +// +// http://www.apache.org/licenses/LICENSE-2.0 +// +// Unless required by applicable law or agreed to in writing, software +// distributed under the License is distributed on an "AS IS" BASIS, +// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +// See the License for the specific language governing permissions and +// limitations under the License. + +// modified from fastfold/model/fastnn/kernel/cuda_native/csrc/softmax_cuda.cpp + +#include + +void attn_softmax_inplace_forward_( + at::Tensor input, + long long rows, int cols +) +{ + throw std::runtime_error("attn_softmax_inplace_forward_ not implemented on CPU"); +}; +void attn_softmax_inplace_backward_( + at::Tensor output, + at::Tensor d_ov, + at::Tensor values, + long long rows, + int cols_output, + int cols_values +) +{ + throw std::runtime_error("attn_softmax_inplace_backward_ not implemented on CPU"); +}; \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/precision_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/precision_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..43cfb74a82241bce06ed452e91e851108d0be914 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/precision_utils.py @@ -0,0 +1,23 @@ +# Copyright 2022 AlQuraishi Laboratory +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch + + +def is_fp16_enabled(): + # Autocast world + fp16_enabled = torch.get_autocast_gpu_dtype() == torch.float16 + fp16_enabled = fp16_enabled and torch.is_autocast_enabled() + + return fp16_enabled diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/rigid_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/rigid_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..c2739add5db0eaace1196a90f5aa256f3914012e --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/rigid_utils.py @@ -0,0 +1,1381 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from __future__ import annotations +from functools import lru_cache +from typing import Tuple, Any, Sequence, Optional + +import numpy as np +import torch + + +def rot_matmul(a: torch.Tensor, b: torch.Tensor) -> torch.Tensor: + """ + Performs matrix multiplication of two rotation matrix tensors. Written + out by hand to avoid AMP downcasting. + + Args: + a: [*, 3, 3] left multiplicand + b: [*, 3, 3] right multiplicand + Returns: + The product ab + """ + + def row_mul(i): + return torch.stack( + [ + a[..., i, 0] * b[..., 0, 0] + + a[..., i, 1] * b[..., 1, 0] + + a[..., i, 2] * b[..., 2, 0], + a[..., i, 0] * b[..., 0, 1] + + a[..., i, 1] * b[..., 1, 1] + + a[..., i, 2] * b[..., 2, 1], + a[..., i, 0] * b[..., 0, 2] + + a[..., i, 1] * b[..., 1, 2] + + a[..., i, 2] * b[..., 2, 2], + ], + dim=-1, + ) + + return torch.stack( + [ + row_mul(0), + row_mul(1), + row_mul(2), + ], + dim=-2, + ) + + +def rot_vec_mul(r: torch.Tensor, t: torch.Tensor) -> torch.Tensor: + """ + Applies a rotation to a vector. Written out by hand to avoid transfer + to avoid AMP downcasting. + + Args: + r: [*, 3, 3] rotation matrices + t: [*, 3] coordinate tensors + Returns: + [*, 3] rotated coordinates + """ + x, y, z = torch.unbind(t, dim=-1) + return torch.stack( + [ + r[..., 0, 0] * x + r[..., 0, 1] * y + r[..., 0, 2] * z, + r[..., 1, 0] * x + r[..., 1, 1] * y + r[..., 1, 2] * z, + r[..., 2, 0] * x + r[..., 2, 1] * y + r[..., 2, 2] * z, + ], + dim=-1, + ) + + +@lru_cache(maxsize=None) +def identity_rot_mats( + batch_dims: Tuple[int], + dtype: Optional[torch.dtype] = None, + device: Optional[torch.device] = None, + requires_grad: bool = True, +) -> torch.Tensor: + rots = torch.eye(3, dtype=dtype, device=device, requires_grad=requires_grad) + rots = rots.view(*((1,) * len(batch_dims)), 3, 3) + rots = rots.expand(*batch_dims, -1, -1) + rots = rots.contiguous() + + return rots + + +@lru_cache(maxsize=None) +def identity_trans( + batch_dims: Tuple[int], + dtype: Optional[torch.dtype] = None, + device: Optional[torch.device] = None, + requires_grad: bool = True, +) -> torch.Tensor: + trans = torch.zeros( + (*batch_dims, 3), dtype=dtype, device=device, requires_grad=requires_grad + ) + return trans + + +@lru_cache(maxsize=None) +def identity_quats( + batch_dims: Tuple[int], + dtype: Optional[torch.dtype] = None, + device: Optional[torch.device] = None, + requires_grad: bool = True, +) -> torch.Tensor: + quat = torch.zeros( + (*batch_dims, 4), dtype=dtype, device=device, requires_grad=requires_grad + ) + + with torch.no_grad(): + quat[..., 0] = 1 + + return quat + + +_quat_elements = ["a", "b", "c", "d"] +_qtr_keys = [l1 + l2 for l1 in _quat_elements for l2 in _quat_elements] +_qtr_ind_dict = {key: ind for ind, key in enumerate(_qtr_keys)} + + +def _to_mat(pairs): + mat = np.zeros((4, 4)) + for pair in pairs: + key, value = pair + ind = _qtr_ind_dict[key] + mat[ind // 4][ind % 4] = value + + return mat + + +_QTR_MAT = np.zeros((4, 4, 3, 3)) +_QTR_MAT[..., 0, 0] = _to_mat([("aa", 1), ("bb", 1), ("cc", -1), ("dd", -1)]) +_QTR_MAT[..., 0, 1] = _to_mat([("bc", 2), ("ad", -2)]) +_QTR_MAT[..., 0, 2] = _to_mat([("bd", 2), ("ac", 2)]) +_QTR_MAT[..., 1, 0] = _to_mat([("bc", 2), ("ad", 2)]) +_QTR_MAT[..., 1, 1] = _to_mat([("aa", 1), ("bb", -1), ("cc", 1), ("dd", -1)]) +_QTR_MAT[..., 1, 2] = _to_mat([("cd", 2), ("ab", -2)]) +_QTR_MAT[..., 2, 0] = _to_mat([("bd", 2), ("ac", -2)]) +_QTR_MAT[..., 2, 1] = _to_mat([("cd", 2), ("ab", 2)]) +_QTR_MAT[..., 2, 2] = _to_mat([("aa", 1), ("bb", -1), ("cc", -1), ("dd", 1)]) + + +def quat_to_rot(quat: torch.Tensor) -> torch.Tensor: + """ + Converts a quaternion to a rotation matrix. + + Args: + quat: [*, 4] quaternions + Returns: + [*, 3, 3] rotation matrices + """ + # [*, 4, 4] + quat = quat[..., None] * quat[..., None, :] + + # [4, 4, 3, 3] + mat = _get_quat("_QTR_MAT", dtype=quat.dtype, device=quat.device) + + # [*, 4, 4, 3, 3] + shaped_qtr_mat = mat.view((1,) * len(quat.shape[:-2]) + mat.shape) + quat = quat[..., None, None] * shaped_qtr_mat + + # [*, 3, 3] + return torch.sum(quat, dim=(-3, -4)) + + +def rot_to_quat( + rot: torch.Tensor, +): + if rot.shape[-2:] != (3, 3): + raise ValueError("Input rotation is incorrectly shaped") + + rot = [[rot[..., i, j] for j in range(3)] for i in range(3)] + [[xx, xy, xz], [yx, yy, yz], [zx, zy, zz]] = rot + + k = [ + [ + xx + yy + zz, + zy - yz, + xz - zx, + yx - xy, + ], + [ + zy - yz, + xx - yy - zz, + xy + yx, + xz + zx, + ], + [ + xz - zx, + xy + yx, + yy - xx - zz, + yz + zy, + ], + [ + yx - xy, + xz + zx, + yz + zy, + zz - xx - yy, + ], + ] + + k = (1.0 / 3.0) * torch.stack([torch.stack(t, dim=-1) for t in k], dim=-2) + + _, vectors = torch.linalg.eigh(k) + return vectors[..., -1] + + +_QUAT_MULTIPLY = np.zeros((4, 4, 4)) +_QUAT_MULTIPLY[:, :, 0] = [[1, 0, 0, 0], [0, -1, 0, 0], [0, 0, -1, 0], [0, 0, 0, -1]] + +_QUAT_MULTIPLY[:, :, 1] = [[0, 1, 0, 0], [1, 0, 0, 0], [0, 0, 0, 1], [0, 0, -1, 0]] + +_QUAT_MULTIPLY[:, :, 2] = [[0, 0, 1, 0], [0, 0, 0, -1], [1, 0, 0, 0], [0, 1, 0, 0]] + +_QUAT_MULTIPLY[:, :, 3] = [[0, 0, 0, 1], [0, 0, 1, 0], [0, -1, 0, 0], [1, 0, 0, 0]] + +_QUAT_MULTIPLY_BY_VEC = _QUAT_MULTIPLY[:, 1:, :] + +_CACHED_QUATS = { + "_QTR_MAT": _QTR_MAT, + "_QUAT_MULTIPLY": _QUAT_MULTIPLY, + "_QUAT_MULTIPLY_BY_VEC": _QUAT_MULTIPLY_BY_VEC, +} + + +@lru_cache(maxsize=None) +def _get_quat(quat_key, dtype, device): + return torch.tensor(_CACHED_QUATS[quat_key], dtype=dtype, device=device) + + +def quat_multiply(quat1, quat2): + """Multiply a quaternion by another quaternion.""" + mat = _get_quat("_QUAT_MULTIPLY", dtype=quat1.dtype, device=quat1.device) + reshaped_mat = mat.view((1,) * len(quat1.shape[:-1]) + mat.shape) + return torch.sum( + reshaped_mat * quat1[..., :, None, None] * quat2[..., None, :, None], + dim=(-3, -2), + ) + + +def quat_multiply_by_vec(quat, vec): + """Multiply a quaternion by a pure-vector quaternion.""" + mat = _get_quat("_QUAT_MULTIPLY_BY_VEC", dtype=quat.dtype, device=quat.device) + reshaped_mat = mat.view((1,) * len(quat.shape[:-1]) + mat.shape) + return torch.sum( + reshaped_mat * quat[..., :, None, None] * vec[..., None, :, None], dim=(-3, -2) + ) + + +def invert_rot_mat(rot_mat: torch.Tensor): + return rot_mat.transpose(-1, -2) + + +def invert_quat(quat: torch.Tensor): + quat_prime = quat.clone() + quat_prime[..., 1:] *= -1 + inv = quat_prime / torch.sum(quat**2, dim=-1, keepdim=True) + return inv + + +class Rotation: + """ + A 3D rotation. Depending on how the object is initialized, the + rotation is represented by either a rotation matrix or a + quaternion, though both formats are made available by helper functions. + To simplify gradient computation, the underlying format of the + rotation cannot be changed in-place. Like Rigid, the class is designed + to mimic the behavior of a torch Tensor, almost as if each Rotation + object were a tensor of rotations, in one format or another. + """ + + def __init__( + self, + rot_mats: Optional[torch.Tensor] = None, + quats: Optional[torch.Tensor] = None, + normalize_quats: bool = True, + ): + """ + Args: + rot_mats: + A [*, 3, 3] rotation matrix tensor. Mutually exclusive with + quats + quats: + A [*, 4] quaternion. Mutually exclusive with rot_mats. If + normalize_quats is not True, must be a unit quaternion + normalize_quats: + If quats is specified, whether to normalize quats + """ + if (rot_mats is None and quats is None) or ( + rot_mats is not None and quats is not None + ): + raise ValueError("Exactly one input argument must be specified") + + if (rot_mats is not None and rot_mats.shape[-2:] != (3, 3)) or ( + quats is not None and quats.shape[-1] != 4 + ): + raise ValueError("Incorrectly shaped rotation matrix or quaternion") + + # Force full-precision + if quats is not None: + quats = quats.to(dtype=torch.float32) + if rot_mats is not None: + rot_mats = rot_mats.to(dtype=torch.float32) + + if quats is not None and normalize_quats: + quats = quats / torch.linalg.norm(quats, dim=-1, keepdim=True) + + self._rot_mats = rot_mats + self._quats = quats + + @staticmethod + def identity( + shape, + dtype: Optional[torch.dtype] = None, + device: Optional[torch.device] = None, + requires_grad: bool = True, + fmt: str = "quat", + ) -> Rotation: + """ + Returns an identity Rotation. + + Args: + shape: + The "shape" of the resulting Rotation object. See documentation + for the shape property + dtype: + The torch dtype for the rotation + device: + The torch device for the new rotation + requires_grad: + Whether the underlying tensors in the new rotation object + should require gradient computation + fmt: + One of "quat" or "rot_mat". Determines the underlying format + of the new object's rotation + Returns: + A new identity rotation + """ + if fmt == "rot_mat": + rot_mats = identity_rot_mats( + shape, + dtype, + device, + requires_grad, + ) + return Rotation(rot_mats=rot_mats, quats=None) + elif fmt == "quat": + quats = identity_quats(shape, dtype, device, requires_grad) + return Rotation(rot_mats=None, quats=quats, normalize_quats=False) + else: + raise ValueError(f"Invalid format: f{fmt}") + + # Magic methods + + def __getitem__(self, index: Any) -> Rotation: + """ + Allows torch-style indexing over the virtual shape of the rotation + object. See documentation for the shape property. + + Args: + index: + A torch index. E.g. (1, 3, 2), or (slice(None,)) + Returns: + The indexed rotation + """ + if type(index) != tuple: + index = (index,) + + if self._rot_mats is not None: + rot_mats = self._rot_mats[index + (slice(None), slice(None))] + return Rotation(rot_mats=rot_mats) + elif self._quats is not None: + quats = self._quats[index + (slice(None),)] + return Rotation(quats=quats, normalize_quats=False) + else: + raise ValueError("Both rotations are None") + + def __mul__( + self, + right: torch.Tensor, + ) -> Rotation: + """ + Pointwise left multiplication of the rotation with a tensor. Can be + used to e.g. mask the Rotation. + + Args: + right: + The tensor multiplicand + Returns: + The product + """ + if not (isinstance(right, torch.Tensor)): + raise TypeError("The other multiplicand must be a Tensor") + + if self._rot_mats is not None: + rot_mats = self._rot_mats * right[..., None, None] + return Rotation(rot_mats=rot_mats, quats=None) + elif self._quats is not None: + quats = self._quats * right[..., None] + return Rotation(rot_mats=None, quats=quats, normalize_quats=False) + else: + raise ValueError("Both rotations are None") + + def __rmul__( + self, + left: torch.Tensor, + ) -> Rotation: + """ + Reverse pointwise multiplication of the rotation with a tensor. + + Args: + left: + The left multiplicand + Returns: + The product + """ + return self.__mul__(left) + + # Properties + + @property + def shape(self) -> torch.Size: + """ + Returns the virtual shape of the rotation object. This shape is + defined as the batch dimensions of the underlying rotation matrix + or quaternion. If the Rotation was initialized with a [10, 3, 3] + rotation matrix tensor, for example, the resulting shape would be + [10]. + + Returns: + The virtual shape of the rotation object + """ + s = None + if self._quats is not None: + s = self._quats.shape[:-1] + else: + s = self._rot_mats.shape[:-2] + + return s + + @property + def dtype(self) -> torch.dtype: + """ + Returns the dtype of the underlying rotation. + + Returns: + The dtype of the underlying rotation + """ + if self._rot_mats is not None: + return self._rot_mats.dtype + elif self._quats is not None: + return self._quats.dtype + else: + raise ValueError("Both rotations are None") + + @property + def device(self) -> torch.device: + """ + The device of the underlying rotation + + Returns: + The device of the underlying rotation + """ + if self._rot_mats is not None: + return self._rot_mats.device + elif self._quats is not None: + return self._quats.device + else: + raise ValueError("Both rotations are None") + + @property + def requires_grad(self) -> bool: + """ + Returns the requires_grad property of the underlying rotation + + Returns: + The requires_grad property of the underlying tensor + """ + if self._rot_mats is not None: + return self._rot_mats.requires_grad + elif self._quats is not None: + return self._quats.requires_grad + else: + raise ValueError("Both rotations are None") + + def get_rot_mats(self) -> torch.Tensor: + """ + Returns the underlying rotation as a rotation matrix tensor. + + Returns: + The rotation as a rotation matrix tensor + """ + rot_mats = self._rot_mats + if rot_mats is None: + if self._quats is None: + raise ValueError("Both rotations are None") + else: + rot_mats = quat_to_rot(self._quats) + + return rot_mats + + def get_quats(self) -> torch.Tensor: + """ + Returns the underlying rotation as a quaternion tensor. + + Depending on whether the Rotation was initialized with a + quaternion, this function may call torch.linalg.eigh. + + Returns: + The rotation as a quaternion tensor. + """ + quats = self._quats + if quats is None: + if self._rot_mats is None: + raise ValueError("Both rotations are None") + else: + quats = rot_to_quat(self._rot_mats) + + return quats + + def get_cur_rot(self) -> torch.Tensor: + """ + Return the underlying rotation in its current form + + Returns: + The stored rotation + """ + if self._rot_mats is not None: + return self._rot_mats + elif self._quats is not None: + return self._quats + else: + raise ValueError("Both rotations are None") + + # Rotation functions + + def compose_q_update_vec( + self, q_update_vec: torch.Tensor, normalize_quats: bool = True + ) -> Rotation: + """ + Returns a new quaternion Rotation after updating the current + object's underlying rotation with a quaternion update, formatted + as a [*, 3] tensor whose final three columns represent x, y, z such + that (1, x, y, z) is the desired (not necessarily unit) quaternion + update. + + Args: + q_update_vec: + A [*, 3] quaternion update tensor + normalize_quats: + Whether to normalize the output quaternion + Returns: + An updated Rotation + """ + quats = self.get_quats() + new_quats = quats + quat_multiply_by_vec(quats, q_update_vec) + return Rotation( + rot_mats=None, + quats=new_quats, + normalize_quats=normalize_quats, + ) + + def compose_r(self, r: Rotation) -> Rotation: + """ + Compose the rotation matrices of the current Rotation object with + those of another. + + Args: + r: + An update rotation object + Returns: + An updated rotation object + """ + r1 = self.get_rot_mats() + r2 = r.get_rot_mats() + new_rot_mats = rot_matmul(r1, r2) + return Rotation(rot_mats=new_rot_mats, quats=None) + + def compose_q(self, r: Rotation, normalize_quats: bool = True) -> Rotation: + """ + Compose the quaternions of the current Rotation object with those + of another. + + Depending on whether either Rotation was initialized with + quaternions, this function may call torch.linalg.eigh. + + Args: + r: + An update rotation object + Returns: + An updated rotation object + """ + q1 = self.get_quats() + q2 = r.get_quats() + new_quats = quat_multiply(q1, q2) + return Rotation(rot_mats=None, quats=new_quats, normalize_quats=normalize_quats) + + def apply(self, pts: torch.Tensor) -> torch.Tensor: + """ + Apply the current Rotation as a rotation matrix to a set of 3D + coordinates. + + Args: + pts: + A [*, 3] set of points + Returns: + [*, 3] rotated points + """ + rot_mats = self.get_rot_mats() + return rot_vec_mul(rot_mats, pts) + + def invert_apply(self, pts: torch.Tensor) -> torch.Tensor: + """ + The inverse of the apply() method. + + Args: + pts: + A [*, 3] set of points + Returns: + [*, 3] inverse-rotated points + """ + rot_mats = self.get_rot_mats() + inv_rot_mats = invert_rot_mat(rot_mats) + return rot_vec_mul(inv_rot_mats, pts) + + def invert(self) -> Rotation: + """ + Returns the inverse of the current Rotation. + + Returns: + The inverse of the current Rotation + """ + if self._rot_mats is not None: + return Rotation(rot_mats=invert_rot_mat(self._rot_mats), quats=None) + elif self._quats is not None: + return Rotation( + rot_mats=None, + quats=invert_quat(self._quats), + normalize_quats=False, + ) + else: + raise ValueError("Both rotations are None") + + # "Tensor" stuff + + def unsqueeze( + self, + dim: int, + ) -> Rigid: + """ + Analogous to torch.unsqueeze. The dimension is relative to the + shape of the Rotation object. + + Args: + dim: A positive or negative dimension index. + Returns: + The unsqueezed Rotation. + """ + if dim >= len(self.shape): + raise ValueError("Invalid dimension") + + if self._rot_mats is not None: + rot_mats = self._rot_mats.unsqueeze(dim if dim >= 0 else dim - 2) + return Rotation(rot_mats=rot_mats, quats=None) + elif self._quats is not None: + quats = self._quats.unsqueeze(dim if dim >= 0 else dim - 1) + return Rotation(rot_mats=None, quats=quats, normalize_quats=False) + else: + raise ValueError("Both rotations are None") + + @staticmethod + def cat( + rs: Sequence[Rotation], + dim: int, + ) -> Rigid: + """ + Concatenates rotations along one of the batch dimensions. Analogous + to torch.cat(). + + Note that the output of this operation is always a rotation matrix, + regardless of the format of input rotations. + + Args: + rs: + A list of rotation objects + dim: + The dimension along which the rotations should be + concatenated + Returns: + A concatenated Rotation object in rotation matrix format + """ + rot_mats = [r.get_rot_mats() for r in rs] + rot_mats = torch.cat(rot_mats, dim=dim if dim >= 0 else dim - 2) + + return Rotation(rot_mats=rot_mats, quats=None) + ''' + def map_tensor_fn(self, fn: Callable[torch.Tensor, torch.Tensor]) -> Rotation: + """ + Apply a Tensor -> Tensor function to underlying rotation tensors, + mapping over the rotation dimension(s). Can be used e.g. to sum out + a one-hot batch dimension. + + Args: + fn: + A Tensor -> Tensor function to be mapped over the Rotation + Returns: + The transformed Rotation object + """ + if self._rot_mats is not None: + rot_mats = self._rot_mats.view(self._rot_mats.shape[:-2] + (9,)) + rot_mats = torch.stack( + list(map(fn, torch.unbind(rot_mats, dim=-1))), dim=-1 + ) + rot_mats = rot_mats.view(rot_mats.shape[:-1] + (3, 3)) + return Rotation(rot_mats=rot_mats, quats=None) + elif self._quats is not None: + quats = torch.stack( + list(map(fn, torch.unbind(self._quats, dim=-1))), dim=-1 + ) + return Rotation(rot_mats=None, quats=quats, normalize_quats=False) + else: + raise ValueError("Both rotations are None") + ''' + def cuda(self) -> Rotation: + """ + Analogous to the cuda() method of torch Tensors + + Returns: + A copy of the Rotation in CUDA memory + """ + if self._rot_mats is not None: + return Rotation(rot_mats=self._rot_mats.cuda(), quats=None) + elif self._quats is not None: + return Rotation( + rot_mats=None, quats=self._quats.cuda(), normalize_quats=False + ) + else: + raise ValueError("Both rotations are None") + + def to( + self, device: Optional[torch.device], dtype: Optional[torch.dtype] + ) -> Rotation: + """ + Analogous to the to() method of torch Tensors + + Args: + device: + A torch device + dtype: + A torch dtype + Returns: + A copy of the Rotation using the new device and dtype + """ + if self._rot_mats is not None: + return Rotation( + rot_mats=self._rot_mats.to(device=device, dtype=dtype), + quats=None, + ) + elif self._quats is not None: + return Rotation( + rot_mats=None, + quats=self._quats.to(device=device, dtype=dtype), + normalize_quats=False, + ) + else: + raise ValueError("Both rotations are None") + + def detach(self) -> Rotation: + """ + Returns a copy of the Rotation whose underlying Tensor has been + detached from its torch graph. + + Returns: + A copy of the Rotation whose underlying Tensor has been detached + from its torch graph + """ + if self._rot_mats is not None: + return Rotation(rot_mats=self._rot_mats.detach(), quats=None) + elif self._quats is not None: + return Rotation( + rot_mats=None, + quats=self._quats.detach(), + normalize_quats=False, + ) + else: + raise ValueError("Both rotations are None") + + +class Rigid: + """ + A class representing a rigid transformation. Little more than a wrapper + around two objects: a Rotation object and a [*, 3] translation + Designed to behave approximately like a single torch tensor with the + shape of the shared batch dimensions of its component parts. + """ + + def __init__( + self, + rots: Optional[Rotation], + trans: Optional[torch.Tensor], + ): + """ + Args: + rots: A [*, 3, 3] rotation tensor + trans: A corresponding [*, 3] translation tensor + """ + # (we need device, dtype, etc. from at least one input) + + batch_dims, dtype, device, requires_grad = None, None, None, None + if trans is not None: + batch_dims = trans.shape[:-1] + dtype = trans.dtype + device = trans.device + requires_grad = trans.requires_grad + elif rots is not None: + batch_dims = rots.shape + dtype = rots.dtype + device = rots.device + requires_grad = rots.requires_grad + else: + raise ValueError("At least one input argument must be specified") + + if rots is None: + rots = Rotation.identity( + batch_dims, + dtype, + device, + requires_grad, + ) + elif trans is None: + trans = identity_trans( + batch_dims, + dtype, + device, + requires_grad, + ) + + if (rots.shape != trans.shape[:-1]) or (rots.device != trans.device): + raise ValueError("Rots and trans incompatible") + + # Force full precision. Happens to the rotations automatically. + trans = trans.to(dtype=torch.float32) + + self._rots = rots + self._trans = trans + + @staticmethod + def identity( + shape: Tuple[int], + dtype: Optional[torch.dtype] = None, + device: Optional[torch.device] = None, + requires_grad: bool = True, + fmt: str = "quat", + ) -> Rigid: + """ + Constructs an identity transformation. + + Args: + shape: + The desired shape + dtype: + The dtype of both internal tensors + device: + The device of both internal tensors + requires_grad: + Whether grad should be enabled for the internal tensors + Returns: + The identity transformation + """ + return Rigid( + Rotation.identity(shape, dtype, device, requires_grad, fmt=fmt), + identity_trans(shape, dtype, device, requires_grad), + ) + + def __getitem__( + self, + index: Any, + ) -> Rigid: + """ + Indexes the affine transformation with PyTorch-style indices. + The index is applied to the shared dimensions of both the rotation + and the translation. + + E.g.:: + + r = Rotation(rot_mats=torch.rand(10, 10, 3, 3), quats=None) + t = Rigid(r, torch.rand(10, 10, 3)) + indexed = t[3, 4:6] + assert(indexed.shape == (2,)) + assert(indexed.get_rots().shape == (2,)) + assert(indexed.get_trans().shape == (2, 3)) + + Args: + index: A standard torch tensor index. E.g. 8, (10, None, 3), + or (3, slice(0, 1, None)) + Returns: + The indexed tensor + """ + if type(index) != tuple: + index = (index,) + + return Rigid( + self._rots[index], + self._trans[index + (slice(None),)], + ) + + def __mul__( + self, + right: torch.Tensor, + ) -> Rigid: + """ + Pointwise left multiplication of the transformation with a tensor. + Can be used to e.g. mask the Rigid. + + Args: + right: + The tensor multiplicand + Returns: + The product + """ + if not (isinstance(right, torch.Tensor)): + raise TypeError("The other multiplicand must be a Tensor") + + new_rots = self._rots * right + new_trans = self._trans * right[..., None] + + return Rigid(new_rots, new_trans) + + def __rmul__( + self, + left: torch.Tensor, + ) -> Rigid: + """ + Reverse pointwise multiplication of the transformation with a + tensor. + + Args: + left: + The left multiplicand + Returns: + The product + """ + return self.__mul__(left) + + @property + def shape(self) -> torch.Size: + """ + Returns the shape of the shared dimensions of the rotation and + the translation. + + Returns: + The shape of the transformation + """ + s = self._trans.shape[:-1] + return s + + @property + def device(self) -> torch.device: + """ + Returns the device on which the Rigid's tensors are located. + + Returns: + The device on which the Rigid's tensors are located + """ + return self._trans.device + + @property + def dtype(self) -> torch.dtype: + """ + Returns the dtype of the Rigid tensors. + + Returns: + The dtype of the Rigid tensors + """ + return self._rots.dtype + + def get_rots(self) -> Rotation: + """ + Getter for the rotation. + + Returns: + The rotation object + """ + return self._rots + + def get_trans(self) -> torch.Tensor: + """ + Getter for the translation. + + Returns: + The stored translation + """ + return self._trans + + def compose_q_update_vec( + self, + q_update_vec: torch.Tensor, + ) -> Rigid: + """ + Composes the transformation with a quaternion update vector of + shape [*, 6], where the final 6 columns represent the x, y, and + z values of a quaternion of form (1, x, y, z) followed by a 3D + translation. + + Args: + q_vec: The quaternion update vector. + Returns: + The composed transformation. + """ + q_vec, t_vec = q_update_vec[..., :3], q_update_vec[..., 3:] + new_rots = self._rots.compose_q_update_vec(q_vec) + + trans_update = self._rots.apply(t_vec) + new_translation = self._trans + trans_update + + return Rigid(new_rots, new_translation) + + def compose( + self, + r: Rigid, + ) -> Rigid: + """ + Composes the current rigid object with another. + + Args: + r: + Another Rigid object + Returns: + The composition of the two transformations + """ + new_rot = self._rots.compose_r(r._rots) + new_trans = self._rots.apply(r._trans) + self._trans + return Rigid(new_rot, new_trans) + + def apply( + self, + pts: torch.Tensor, + ) -> torch.Tensor: + """ + Applies the transformation to a coordinate tensor. + + Args: + pts: A [*, 3] coordinate tensor. + Returns: + The transformed points. + """ + rotated = self._rots.apply(pts) + return rotated + self._trans + + def invert_apply(self, pts: torch.Tensor) -> torch.Tensor: + """ + Applies the inverse of the transformation to a coordinate tensor. + + Args: + pts: A [*, 3] coordinate tensor + Returns: + The transformed points. + """ + pts = pts - self._trans + return self._rots.invert_apply(pts) + + def invert(self) -> Rigid: + """ + Inverts the transformation. + + Returns: + The inverse transformation. + """ + rot_inv = self._rots.invert() + trn_inv = rot_inv.apply(self._trans) + + return Rigid(rot_inv, -1 * trn_inv) + ''' + def map_tensor_fn(self, fn: Callable[torch.Tensor, torch.Tensor]) -> Rigid: + """ + Apply a Tensor -> Tensor function to underlying translation and + rotation tensors, mapping over the translation/rotation dimensions + respectively. + + Args: + fn: + A Tensor -> Tensor function to be mapped over the Rigid + Returns: + The transformed Rigid object + """ + new_rots = self._rots.map_tensor_fn(fn) + new_trans = torch.stack( + list(map(fn, torch.unbind(self._trans, dim=-1))), dim=-1 + ) + + return Rigid(new_rots, new_trans) + ''' + def to_tensor_4x4(self) -> torch.Tensor: + """ + Converts a transformation to a homogenous transformation tensor. + + Returns: + A [*, 4, 4] homogenous transformation tensor + """ + tensor = self._trans.new_zeros((*self.shape, 4, 4)) + tensor[..., :3, :3] = self._rots.get_rot_mats() + tensor[..., :3, 3] = self._trans + tensor[..., 3, 3] = 1 + return tensor + + @staticmethod + def from_tensor_4x4(t: torch.Tensor) -> Rigid: + """ + Constructs a transformation from a homogenous transformation + tensor. + + Args: + t: [*, 4, 4] homogenous transformation tensor + Returns: + T object with shape [*] + """ + if t.shape[-2:] != (4, 4): + raise ValueError("Incorrectly shaped input tensor") + + rots = Rotation(rot_mats=t[..., :3, :3], quats=None) + trans = t[..., :3, 3] + + return Rigid(rots, trans) + + def to_tensor_7(self) -> torch.Tensor: + """ + Converts a transformation to a tensor with 7 final columns, four + for the quaternion followed by three for the translation. + + Returns: + A [*, 7] tensor representation of the transformation + """ + tensor = self._trans.new_zeros((*self.shape, 7)) + tensor[..., :4] = self._rots.get_quats() + tensor[..., 4:] = self._trans + + return tensor + + @staticmethod + def from_tensor_7( + t: torch.Tensor, + normalize_quats: bool = False, + ) -> Rigid: + if t.shape[-1] != 7: + raise ValueError("Incorrectly shaped input tensor") + + quats, trans = t[..., :4], t[..., 4:] + + rots = Rotation(rot_mats=None, quats=quats, normalize_quats=normalize_quats) + + return Rigid(rots, trans) + + @staticmethod + def from_3_points( + p_neg_x_axis: torch.Tensor, + origin: torch.Tensor, + p_xy_plane: torch.Tensor, + eps: float = 1e-8, + ) -> Rigid: + """ + Implements algorithm 21. Constructs transformations from sets of 3 + points using the Gram-Schmidt algorithm. + + Args: + p_neg_x_axis: [*, 3] coordinates + origin: [*, 3] coordinates used as frame origins + p_xy_plane: [*, 3] coordinates + eps: Small epsilon value + Returns: + A transformation object of shape [*] + """ + p_neg_x_axis = torch.unbind(p_neg_x_axis, dim=-1) + origin = torch.unbind(origin, dim=-1) + p_xy_plane = torch.unbind(p_xy_plane, dim=-1) + + e0 = [c1 - c2 for c1, c2 in zip(origin, p_neg_x_axis)] + e1 = [c1 - c2 for c1, c2 in zip(p_xy_plane, origin)] + + denom = torch.sqrt(sum((c * c for c in e0)) + eps) + e0 = [c / denom for c in e0] + dot = sum((c1 * c2 for c1, c2 in zip(e0, e1))) + e1 = [c2 - c1 * dot for c1, c2 in zip(e0, e1)] + denom = torch.sqrt(sum((c * c for c in e1)) + eps) + e1 = [c / denom for c in e1] + e2 = [ + e0[1] * e1[2] - e0[2] * e1[1], + e0[2] * e1[0] - e0[0] * e1[2], + e0[0] * e1[1] - e0[1] * e1[0], + ] + + rots = torch.stack([c for tup in zip(e0, e1, e2) for c in tup], dim=-1) + rots = rots.reshape(rots.shape[:-1] + (3, 3)) + + rot_obj = Rotation(rot_mats=rots, quats=None) + + return Rigid(rot_obj, torch.stack(origin, dim=-1)) + + def unsqueeze( + self, + dim: int, + ) -> Rigid: + """ + Analogous to torch.unsqueeze. The dimension is relative to the + shared dimensions of the rotation/translation. + + Args: + dim: A positive or negative dimension index. + Returns: + The unsqueezed transformation. + """ + if dim >= len(self.shape): + raise ValueError("Invalid dimension") + rots = self._rots.unsqueeze(dim) + trans = self._trans.unsqueeze(dim if dim >= 0 else dim - 1) + + return Rigid(rots, trans) + + @staticmethod + def cat( + ts: Sequence[Rigid], + dim: int, + ) -> Rigid: + """ + Concatenates transformations along a new dimension. + + Args: + ts: + A list of T objects + dim: + The dimension along which the transformations should be + concatenated + Returns: + A concatenated transformation object + """ + rots = Rotation.cat([t._rots for t in ts], dim) + trans = torch.cat([t._trans for t in ts], dim=dim if dim >= 0 else dim - 1) + + return Rigid(rots, trans) + ''' + def apply_rot_fn(self, fn: Callable[Rotation, Rotation]) -> Rigid: + """ + Applies a Rotation -> Rotation function to the stored rotation + object. + + Args: + fn: A function of type Rotation -> Rotation + Returns: + A transformation object with a transformed rotation. + """ + return Rigid(fn(self._rots), self._trans) + + def apply_trans_fn(self, fn: Callable[torch.Tensor, torch.Tensor]) -> Rigid: + """ + Applies a Tensor -> Tensor function to the stored translation. + + Args: + fn: + A function of type Tensor -> Tensor to be applied to the + translation + Returns: + A transformation object with a transformed translation. + """ + return Rigid(self._rots, fn(self._trans)) + ''' + def scale_translation(self, trans_scale_factor: float) -> Rigid: + """ + Scales the translation by a constant factor. + + Args: + trans_scale_factor: + The constant factor + Returns: + A transformation object with a scaled translation. + """ + fn = lambda t: t * trans_scale_factor + return self.apply_trans_fn(fn) + + def stop_rot_gradient(self) -> Rigid: + """ + Detaches the underlying rotation object + + Returns: + A transformation object with detached rotations + """ + fn = lambda r: r.detach() + return self.apply_rot_fn(fn) + + @staticmethod + def make_transform_from_reference(n_xyz, ca_xyz, c_xyz, eps=1e-20): + """ + Returns a transformation object from reference coordinates. + + Note that this method does not take care of symmetries. If you + provide the atom positions in the non-standard way, the N atom will + end up not at [-0.527250, 1.359329, 0.0] but instead at + [-0.527250, -1.359329, 0.0]. You need to take care of such cases in + your code. + + Args: + n_xyz: A [*, 3] tensor of nitrogen xyz coordinates. + ca_xyz: A [*, 3] tensor of carbon alpha xyz coordinates. + c_xyz: A [*, 3] tensor of carbon xyz coordinates. + Returns: + A transformation object. After applying the translation and + rotation to the reference backbone, the coordinates will + approximately equal to the input coordinates. + """ + translation = -1 * ca_xyz + n_xyz = n_xyz + translation + c_xyz = c_xyz + translation + + c_x, c_y, c_z = [c_xyz[..., i] for i in range(3)] + norm = torch.sqrt(eps + c_x**2 + c_y**2) + sin_c1 = -c_y / norm + cos_c1 = c_x / norm + zeros = sin_c1.new_zeros(sin_c1.shape) + ones = sin_c1.new_ones(sin_c1.shape) + + c1_rots = sin_c1.new_zeros((*sin_c1.shape, 3, 3)) + c1_rots[..., 0, 0] = cos_c1 + c1_rots[..., 0, 1] = -1 * sin_c1 + c1_rots[..., 1, 0] = sin_c1 + c1_rots[..., 1, 1] = cos_c1 + c1_rots[..., 2, 2] = 1 + + norm = torch.sqrt(eps + c_x**2 + c_y**2 + c_z**2) + sin_c2 = c_z / norm + cos_c2 = torch.sqrt(c_x**2 + c_y**2) / norm + + c2_rots = sin_c2.new_zeros((*sin_c2.shape, 3, 3)) + c2_rots[..., 0, 0] = cos_c2 + c2_rots[..., 0, 2] = sin_c2 + c2_rots[..., 1, 1] = 1 + c2_rots[..., 2, 0] = -1 * sin_c2 + c2_rots[..., 2, 2] = cos_c2 + + c_rots = rot_matmul(c2_rots, c1_rots) + n_xyz = rot_vec_mul(c_rots, n_xyz) + + _, n_y, n_z = [n_xyz[..., i] for i in range(3)] + norm = torch.sqrt(eps + n_y**2 + n_z**2) + sin_n = -n_z / norm + cos_n = n_y / norm + + n_rots = sin_c2.new_zeros((*sin_c2.shape, 3, 3)) + n_rots[..., 0, 0] = 1 + n_rots[..., 1, 1] = cos_n + n_rots[..., 1, 2] = -1 * sin_n + n_rots[..., 2, 1] = sin_n + n_rots[..., 2, 2] = cos_n + + rots = rot_matmul(n_rots, c_rots) + + rots = rots.transpose(-1, -2) + translation = -1 * translation + + rot_obj = Rotation(rot_mats=rots, quats=None) + + return Rigid(rot_obj, translation) + + def cuda(self) -> Rigid: + """ + Moves the transformation object to GPU memory + + Returns: + A version of the transformation on GPU + """ + return Rigid(self._rots.cuda(), self._trans.cuda()) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/tensor_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/tensor_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..ba565e7efa92e0624abfac146474065ae3f956d6 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/openfold_local/utils/tensor_utils.py @@ -0,0 +1,115 @@ +# Copyright 2021 AlQuraishi Laboratory +# Copyright 2021 DeepMind Technologies Limited +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from functools import partial +import logging +from typing import Tuple, List, Callable, Any, Dict, Sequence, Optional + +import torch +import torch.nn as nn + + +def add(m1, m2, inplace): + # The first operation in a checkpoint can't be in-place, but it's + # nice to have in-place addition during inference. Thus... + if not inplace: + m1 = m1 + m2 + else: + m1 += m2 + + return m1 + + +def permute_final_dims(tensor: torch.Tensor, inds: List[int]): + zero_index = -1 * len(inds) + first_inds = list(range(len(tensor.shape[:zero_index]))) + return tensor.permute(first_inds + [zero_index + i for i in inds]) + + +def flatten_final_dims(t: torch.Tensor, no_dims: int): + return t.reshape(t.shape[:-no_dims] + (-1,)) + + +def masked_mean(mask, value, dim, eps=1e-4): + mask = mask.expand(*value.shape) + return torch.sum(mask * value, dim=dim) / (eps + torch.sum(mask, dim=dim)) + + +def pts_to_distogram(pts, min_bin=2.3125, max_bin=21.6875, no_bins=64): + boundaries = torch.linspace(min_bin, max_bin, no_bins - 1, device=pts.device) + dists = torch.sqrt(torch.sum((pts.unsqueeze(-2) - pts.unsqueeze(-3)) ** 2, dim=-1)) + return torch.bucketize(dists, boundaries) + + +def dict_multimap(fn, dicts): + first = dicts[0] + new_dict = {} + for k, v in first.items(): + all_v = [d[k] for d in dicts] + if type(v) is dict: + new_dict[k] = dict_multimap(fn, all_v) + else: + new_dict[k] = fn(all_v) + + return new_dict + + +def one_hot(x, v_bins): + reshaped_bins = v_bins.view(((1,) * len(x.shape)) + (len(v_bins),)) + diffs = x[..., None] - reshaped_bins + am = torch.argmin(torch.abs(diffs), dim=-1) + return nn.functional.one_hot(am, num_classes=len(v_bins)).float() + + +def batched_gather(data, inds, dim=0, no_batch_dims=0): + ranges = [] + for i, s in enumerate(data.shape[:no_batch_dims]): + r = torch.arange(s) + r = r.view(*(*((1,) * i), -1, *((1,) * (len(inds.shape) - i - 1)))) + ranges.append(r) + + remaining_dims = [slice(None) for _ in range(len(data.shape) - no_batch_dims)] + remaining_dims[dim - no_batch_dims if dim >= 0 else dim] = inds + ranges.extend(remaining_dims) + return data[ranges] + + +# With tree_map, a poor man's JAX tree_map +def dict_map(fn, dic, leaf_type): + new_dict = {} + for k, v in dic.items(): + if type(v) is dict: + new_dict[k] = dict_map(fn, v, leaf_type) + else: + new_dict[k] = tree_map(fn, v, leaf_type) + + return new_dict + + +def tree_map(fn, tree, leaf_type): + if isinstance(tree, dict): + return dict_map(fn, tree, leaf_type) + elif isinstance(tree, list): + return [tree_map(fn, x, leaf_type) for x in tree] + elif isinstance(tree, tuple): + return tuple([tree_map(fn, x, leaf_type) for x in tree]) + elif isinstance(tree, leaf_type): + return fn(tree) + else: + print(type(tree)) + raise ValueError("Not supported") + + +tensor_tree_map = partial(tree_map, leaf_type=torch.Tensor) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/cropping.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/cropping.py new file mode 100644 index 0000000000000000000000000000000000000000..137f456729cbbb7de21cec3127da0f5fd2ca29a9 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/cropping.py @@ -0,0 +1,698 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import copy +import random +from collections import defaultdict +from typing import Any, Optional + +import numpy as np +import torch +from biotite.structure import AtomArray +from scipy.spatial.distance import cdist + +from protenix.data.tokenizer import TokenArray + + +def identify_mol_type( + ref_space_uid: torch.Tensor, + atom_sums: torch.Tensor, + chain_id: torch.Tensor, + chain_lengths: torch.Tensor, +) -> torch.Tensor: + """ + Generate mol_type masks based on the given rules. + + Args: + ref_space_uid (torch.Tensor): A tensor of unique ids, shape (N,). + atom_sums (torch.Tensor): A tensor of atom sums corresponding to each unique id, shape (N,). + chain_id (torch.Tensor): A tensor of chain IDs corresponding to each unique id, shape (N,). + chain_lengths (torch.Tensor): A tensor of chain lengths, shape (num_chains,). + + Returns: + is_metal (torch.Tensor): A mask indicating metals. + first_indices (torch.Tensor): A tensor of first indices for each unique id, shape (N,). + last_indices (torch.Tensor): A tensor of last indices for each unique id, shape (N,). + """ + + assert ( + ref_space_uid.shape == atom_sums.shape + ), "ref_space_uid and atom_sums must have the same shape." + # Initialize masks + is_metal = torch.zeros_like(ref_space_uid, dtype=torch.bool) + first_indices = torch.zeros_like(ref_space_uid, dtype=torch.long) + last_indices = torch.zeros_like(ref_space_uid, dtype=torch.long) + + # Count occurrences of each ref_space_uid + unique_ids, counts = torch.unique(ref_space_uid, return_counts=True) + for unique_id, count in zip(unique_ids, counts): + mask = ref_space_uid == unique_id + first_index = mask.nonzero(as_tuple=False)[0].item() + last_index = mask.nonzero(as_tuple=False)[-1].item() + first_indices[mask] = first_index + last_indices[mask] = last_index + atom_sum = atom_sums[mask] + + if count == 1 and chain_lengths[chain_id[mask].long()] == 1: + is_metal[mask] = atom_sum == 1 + + return ( + is_metal, + first_indices, + last_indices, + ) + + +def get_interface_token( + chain_id: torch.Tensor, + reference_chain_id: torch.Tensor, + token_distance: torch.Tensor, + token_distance_mask: torch.Tensor, + interface_minimal_distance: int = 15, +) -> torch.Tensor: + """ + Get tokens in contact with the other chain. + Args: + chain_id: [all_token_length, ], chain ID of each token + reference_chain_id: [1] or [2], the reference atom is selected within the reference chains + token_distance: [chain/interface_token_length, all_token_length], distance matrix between the chain/interface tokens and the assembly tokens + token_distance_mask:[chain/interface_token_length, all_token_length], indicates valid distance + interface_minimal_distance: the minimal distance to any other chains + Returns: + interface_token_indices: indices of tokens of interface + """ + # expand reference_chain_id to chain_id shape + expand_reference_chain_id = torch.zeros(chain_id.size(), dtype=torch.int) + for _chain_id in reference_chain_id: + expand_reference_chain_id += chain_id == _chain_id + + # get distance mask, difference chain mask + mask_distance = token_distance < interface_minimal_distance + mask_diff_chain = (chain_id[None, :] != chain_id[:, None])[ + expand_reference_chain_id.nonzero(as_tuple=True)[0] + ] + + mask = mask_distance * mask_diff_chain * token_distance_mask + mask_interface = torch.sum(mask, dim=-1) + interface_token_indices = torch.nonzero(mask_interface, as_tuple=True)[0] + return interface_token_indices + + +def get_spatial_crop_index( + tokens: torch.Tensor, + chain_id: torch.Tensor, + token_distance: torch.Tensor, + token_distance_mask: torch.Tensor, + reference_chain_id: torch.Tensor, + ref_space_uid_token: torch.Tensor, + crop_size: int, + crop_complete_ligand_unstdRes: bool = False, + interface_crop: bool = False, + interface_minimal_distance: int = 15, +) -> torch.Tensor: + """ + Crop sequences continuesly across chains. + Args: + tokens: [all_token_length,], all tokens within an assembly + chain_id: [all_token_length,], all tokens' chain ID within an assembly + token_distance: [chain/interface_token_length, all_token_length], distance matrix between the chain/interface tokens and the assembly tokens + token_distance_mask: [chain/interface_token_length, all_token_length], indicates valid distance + reference_chain_id: [1] or [2],the reference atom is selected within the reference_chains ID + crop_size: total crop size of the whole assembly + interface_crop: whether use interface tokens as referenced token + interface_minimal_distance: the minimal distance to any other chains + Returns: + selected_token_indices: torch.Tensor, shape=(min(crop_size, tokens.shape[0]), ) + """ + + # interface spatial cropping: select reference tokens with contact to the other + if interface_crop and interface_minimal_distance is not None: + reference_token_indices = get_interface_token( + chain_id=chain_id, + reference_chain_id=reference_chain_id, + token_distance=token_distance, + token_distance_mask=token_distance_mask, + interface_minimal_distance=interface_minimal_distance, + ) + if len(reference_token_indices) < 1 and len(reference_chain_id) == 1: + # If a chain does not contain any interfacial atoms, use all resolved tokens. + reference_token_indices = torch.nonzero( + token_distance_mask.bool().any(-1), as_tuple=True + )[0] + else: + # select reference tokens within the given chain or interface + reference_token_indices = torch.nonzero( + token_distance_mask.bool().any(-1), as_tuple=True + )[0] + + # random select one token from reference_token_indices + assert len(reference_token_indices) > 0, "No resolved atoms in reference tokens!" + + random_idx = torch.randint(0, reference_token_indices.shape[0], (1,)).item() + reference_token_idx = reference_token_indices[random_idx].item() + + assert ( + token_distance_mask[reference_token_idx].bool().any() + ), "Select a unresolved reference token" + distance_to_reference = token_distance[reference_token_idx] + # add noise to break tie + noise_break_tie = torch.arange(0, distance_to_reference.shape[0]).float() * 1e-3 + + distance_to_reference_mask = token_distance_mask[reference_token_idx] + distance_to_reference = torch.where( + distance_to_reference_mask.bool(), distance_to_reference, torch.inf + ) + + # find k nearest tokens + nearest_k = min(crop_size, tokens.shape[0]) + selected_token_indices = ( + torch.topk(distance_to_reference + noise_break_tie, nearest_k, largest=False) + .indices.sort() + .values + ) + + def drop_uncompleted_mol(selected_token_indices): + selected_uid = ref_space_uid_token[selected_token_indices] + mask = torch.ones_like(ref_space_uid_token, dtype=torch.bool) + mask[selected_token_indices] = False + unselected_uid = ref_space_uid_token[mask] + + # Find overlap elements + overlap_uid = torch.Tensor(np.intersect1d(selected_uid, unselected_uid)) + + # Remove overlap elements from elements_B + remain_indices = selected_token_indices[ + ~torch.isin(selected_uid, overlap_uid) + ].long() + return remain_indices + + selected_token_indices = torch.flatten(selected_token_indices) + if crop_complete_ligand_unstdRes is True: + selected_token_indices = drop_uncompleted_mol(selected_token_indices) + assert ( + selected_token_indices.shape[0] <= crop_size + ), f"Spatial cropping crop {selected_token_indices.shape[0]}, more than {crop_size} tokens!!" + return selected_token_indices, reference_token_idx + + +def get_continues_crop_index( + tokens: torch.Tensor, + chain_id: torch.Tensor, + ref_space_uid_token: torch.Tensor, + atom_sums: torch.Tensor, + crop_size: int, + crop_complete_ligand_unstdRes: Optional[bool] = False, + drop_last: Optional[bool] = False, + remove_metal: Optional[bool] = False, +) -> torch.Tensor: + """ + Crop sequences continuesly across chains. Reference: AF-multimer Algorithm 1. + Args: + tokens: [all_token_length,], flatten tokens + chain_id: [all_token_length,], all tokens' chain ID within an assembly + atom_sums: [all_token_length,] sum of atoms within one ref_space_uid + ref_space_uid: [all_atom_length,] unique chain-residue id + crop_size: total crop size of the whole assembly + crop_complete_ligand_unstdRes: Whether to crop the complete ligand or unstandard residues. + If False, the ligand is usually fragmented during sequential cropping. + drop_last: whether to ensure all ligands or unstandard residues to be cropped completely, + if not, we will ignore the completion of the last one to meet the crop_size quota. + remove_metal: whether remove all metal/ions + Returns: + selected_token_indices: torch.Tensor, shape=(crop_size, ) + """ + # get chain counts info + unique_chain_id = torch.unique(chain_id) + chain_lengths = torch.bincount(chain_id.long()) + chain_offset_list = torch.tensor( + [torch.where(chain_id == chain_idx)[0][0] for chain_idx in unique_chain_id], + ) + + # identify the mol type + ( + is_metal, + uid_first_indices, + uid_last_indices, + ) = identify_mol_type(ref_space_uid_token, atom_sums, chain_id, chain_lengths) + + def _qualify_crop_size(cur_crop_size, crop_size_min, N_added): + if cur_crop_size < crop_size_min: + return False + if cur_crop_size + N_added > crop_size: + return False + return True + + def _determine_start_end_point(start_idx, end_idx, crop_size_min, N_added): + if start_idx == end_idx: + return start_idx, end_idx + + # determine the start_idx + left_start_point = right_start_point = start_idx + # if this is not the first time this uid occurants, then it must be a middle point + if uid_first_indices[start_idx] != start_idx: + start_in_middle = True + left_start_point = uid_first_indices[start_idx] + right_start_point = uid_last_indices[start_idx] + 1 + else: + start_in_middle = False + + # determine the end_idx + left_end_point = right_end_point = end_idx + # if this is not the last time this uid occurants, then it must be a middle point + if end_idx > 0 and uid_last_indices[end_idx - 1] != end_idx - 1: + end_in_middle = True + left_end_point = uid_first_indices[end_idx - 1] + right_end_point = uid_last_indices[end_idx - 1] + 1 + else: + end_in_middle = False + + if start_in_middle is False and end_in_middle is False: + return start_idx, end_idx + elif start_in_middle is True and end_in_middle is True: + # alwalys use left edge + start_in_middle = False + start_idx = left_start_point + + if start_in_middle is False and end_in_middle is True: + # need to determine: use left end or right end + left_crop_size = left_end_point - start_idx + right_crop_size = right_end_point - start_idx + is_left_ok = _qualify_crop_size(left_crop_size, crop_size_min, N_added) + is_right_ok = _qualify_crop_size(right_crop_size, crop_size_min, N_added) + if is_left_ok and is_right_ok: + end_idx = ( + left_end_point + if torch.randint(low=0, high=2, size=(1,)).item() == 0 + else right_end_point + ) + return start_idx, end_idx + elif is_left_ok: + return start_idx, left_end_point + elif is_right_ok: + return start_idx, right_end_point + elif drop_last is True: + end_point = left_end_point + while end_point - start_idx + N_added > crop_size: + if end_point > start_idx: + end_point = uid_first_indices[end_point - 1] + else: + break + return start_idx, end_point + else: + cur_crop_size = min(end_idx - start_idx, crop_size - N_added) + return start_idx, start_idx + cur_crop_size + elif start_in_middle is True and end_in_middle is False: + # need to determine: use left start or right start + left_crop_size = end_idx - left_start_point + right_crop_size = end_idx - right_start_point + is_left_ok = _qualify_crop_size(left_crop_size, crop_size_min, N_added) + is_right_ok = _qualify_crop_size(right_crop_size, crop_size_min, N_added) + if is_left_ok and is_right_ok: + start_idx = ( + left_start_point + if torch.randint(low=0, high=2, size=(1,)).item() == 0 + else right_start_point + ) + return start_idx, end_idx + elif is_left_ok: + return left_start_point, end_idx + elif is_right_ok: + return right_start_point, end_idx + elif drop_last is True: + return right_start_point, end_idx + else: + return start_idx, end_idx + + # shuffle the list of chains + chain_shuffle_index = torch.randperm(len(unique_chain_id)) + + # crop over chains iteratively + selected_token_indices = [] + N_added = 0 # number of tokens already selected + N_remaining = len(tokens) # number of tokens in remaining chains + if remove_metal is True: + N_remaining -= sum(is_metal).item() + for idx in chain_shuffle_index: + if N_added >= crop_size: + break + + # get chain type: whether it is metal/ions + curr_is_metal = is_metal[chain_offset_list[idx]] + # whether remove metal chain + if remove_metal is True and curr_is_metal: + # skip if it is metal/ions + continue + + chain_length = chain_lengths[unique_chain_id[idx].int()] + N_remaining -= chain_length + + # determine the crop size + crop_size_min = min(chain_length, max(0, crop_size - (N_added + N_remaining))) + crop_size_max = min(crop_size - N_added, chain_length) + if crop_size_min > crop_size_max: + print(f"error crop_size: {crop_size_min} > {crop_size_max}") + + chain_crop_size = torch.randint( + low=crop_size_min, + high=crop_size_max + 1, + size=(1,), + device=tokens.device, + ).item() + + chain_crop_start = torch.randint( + low=0, + high=chain_length - chain_crop_size + 1, + size=(1,), + device=tokens.device, + ).item() + + chain_offset = chain_offset_list[idx] + start_token_index = chain_offset + chain_crop_start + end_token_index = chain_offset + chain_crop_start + chain_crop_size + if crop_complete_ligand_unstdRes is True: + start_token_index, end_token_index = _determine_start_end_point( + start_token_index, end_token_index, crop_size_min, N_added + ) + assert ( + end_token_index >= start_token_index + ), f"invalid crop indices!! {start_token_index}, {end_token_index}" + chain_crop_size = end_token_index - start_token_index + + selected_token_indices.append( + torch.arange( + start_token_index, + end_token_index, + ) + ) + N_added += chain_crop_size + if crop_complete_ligand_unstdRes is True and drop_last is True: + if start_token_index < end_token_index: + assert uid_first_indices[start_token_index] == start_token_index + assert uid_last_indices[end_token_index - 1] == end_token_index - 1 + + selected_token_indices = torch.concat(selected_token_indices).sort().values + selected_token_indices = torch.flatten(selected_token_indices) + if drop_last is True: + assert ( + selected_token_indices.shape[0] <= crop_size + ), f"Continuous cropping crop {selected_token_indices.shape[0]}, more than {crop_size} tokens!!" + return selected_token_indices + + +class CropData(object): + """ + Crop the data based on the given crop size and reference chain indices (asym_id). + """ + + def __init__( + self, + crop_size: int, + ref_chain_indices: list[int], + token_array: TokenArray, + atom_array: AtomArray, + method_weights: list[float] = [0.2, 0.4, 0.4], + contiguous_crop_complete_lig: bool = False, + spatial_crop_complete_lig: bool = False, + drop_last: bool = False, + remove_metal: bool = False, + ) -> None: + """ + Args: + crop_size (int): The size of the crop to be sampled. + ref_chain_indices (list[int]): The "asym_id_int" of the reference chains. + token_array (TokenArray): The token array. + atom_array (AtomArray): The atom array. + method_weights (list[float]): The weights corresponding to these three cropping methods: + ["ContiguousCropping", "SpatialCropping", "SpatialInterfaceCropping"]. + contiguous_crop_complete_lig: Whether to crop the complete ligand in ContiguousCropping method. + + """ + self.crop_size = crop_size + self.ref_chain_indices = ref_chain_indices + self.token_array = token_array + self.atom_array = atom_array + self.method_weights = method_weights + self.cand_crop_methods = [ + "ContiguousCropping", + "SpatialCropping", + "SpatialInterfaceCropping", + ] + self.contiguous_crop_complete_lig = contiguous_crop_complete_lig + self.spatial_crop_complete_lig = spatial_crop_complete_lig + self.drop_last = drop_last + self.remove_metal = remove_metal + + def random_crop_method(self) -> str: + """ + Choose a random cropping method based on the given weights. + + Returns: + str: The name of the randomly selected cropping method. + """ + return random.choices(self.cand_crop_methods, k=1, weights=self.method_weights)[ + 0 + ] + + def get_token_dist_mat(self, token_indices_in_ref: np.ndarray) -> np.ndarray: + """ + Get the distance matrix of the tokens in the reference chain. + + Args: + token_indices_in_ref (list): The indices of the tokens in the reference chain. + + Returns: + numpy.ndarray: The distance matrix of the tokens in the reference chain, + shape=(len(tokens_in_ref_chain), len(tokens)). + """ + centre_atom_indices = self.token_array.get_annotation("centre_atom_index") + centre_atom_coords = self.atom_array.coord[centre_atom_indices] + + partial_token_dist_matrix = cdist( + centre_atom_coords[token_indices_in_ref], + centre_atom_coords, + "euclidean", + ) + + assert partial_token_dist_matrix.shape == ( + len(token_indices_in_ref), + len(self.token_array), + ) + return partial_token_dist_matrix + + def extract_info( + self, + ) -> tuple[torch.Tensor, torch.Tensor, torch.Tensor, list[int]]: + """ + Extract information from the token array and atom array. + + Returns: + tuple: A tuple containing the following elements: + - tokens (torch.Tensor): The token array. + - chain_id (torch.Tensor): The chain IDs of the atoms. + - token_dist_mask_1d (torch.Tensor): The distance mask of the tokens. + - token_indices_in_ref (list[int]): The indices of the tokens in the reference chain. + - is_ligand (torch.Tensor): Whether chain type is ligand. + """ + tokens = self.token_array.get_values() + chain_id = [] + token_dist_mask_1d = [] + token_indices_in_ref = [] + + token_centre_atom_indices = self.token_array.get_annotation("centre_atom_index") + centre_atoms = self.atom_array[token_centre_atom_indices] + chain_id = centre_atoms.asym_id_int + token_dist_mask_1d = centre_atoms.is_resolved + token_indices_in_ref = np.where( + np.isin(centre_atoms.asym_id_int, self.ref_chain_indices) + )[0] + is_ligand = centre_atoms.is_ligand + + tokens = torch.Tensor(tokens) + chain_id = torch.Tensor(chain_id) + token_dist_mask_1d = torch.Tensor(token_dist_mask_1d) + is_ligand = torch.Tensor(is_ligand) + return tokens, chain_id, token_dist_mask_1d, token_indices_in_ref, is_ligand + + def crop_by_indices( + self, + selected_token_indices: torch.Tensor, + msa_features: dict[str, np.ndarray] = None, + template_features: dict[str, np.ndarray] = None, + ) -> tuple[TokenArray, AtomArray, dict[str, Any], dict[str, Any]]: + """ + Crop the token array, atom array, msa features and template features based on the selected token indices. + """ + return self.select_by_token_indices( + token_array=self.token_array, + atom_array=self.atom_array, + selected_token_indices=selected_token_indices, + msa_features=msa_features, + template_features=template_features, + ) + + @staticmethod + def select_by_token_indices( + token_array: TokenArray, + atom_array: AtomArray, + selected_token_indices: torch.Tensor, + msa_features: dict[str, np.ndarray] = None, + template_features: dict[str, np.ndarray] = None, + ) -> tuple[TokenArray, AtomArray, dict[str, Any], dict[str, Any]]: + """ + Crop the token array, atom array, msa features and template features based on the selected token indices. + + Args: + token_array (TokenArray): the input token array + atom_array (AtomArray): the input atom array + selected_token_indices (torch.Tensor): The indices of the tokens to be cropped. + msa_feature (dict[str, np.ndarray]): The MSA features. + template_feature (dict[str, np.ndarray]): The Template features. + + Returns: + cropped_token_array (TokenArray): The cropped token array. + cropped_atom_array (AtomArray): The cropped atom array. + cropped_msa_features (dict[str, np.ndarray]): The cropped msa features. + cropped_template_features (dict[str, np.ndarray]): The cropped template features. + """ + cropped_token_array = copy.deepcopy(token_array[selected_token_indices]) + + cropped_atom_indices = [] + totol_atom_num = 0 + for idx, token in enumerate(cropped_token_array): + cropped_atom_indices.extend(token.atom_indices) + centre_idx_in_token_atoms = token.atom_indices.index( + token.centre_atom_index + ) + token_atom_num = len(token.atom_indices) + token.atom_indices = list( + range(totol_atom_num, totol_atom_num + token_atom_num) + ) + token.centre_atom_index = token.atom_indices[centre_idx_in_token_atoms] + totol_atom_num += token_atom_num + + cropped_atom_array = copy.deepcopy(atom_array[cropped_atom_indices]) + assert len(cropped_token_array) == selected_token_indices.shape[0] + + _selected_token_indices = selected_token_indices.tolist() + # crop msa + cropped_msa_features = {} + if msa_features is not None: + for k, v in msa_features.items(): + if k in ["profile", "deletion_mean"]: + cropped_msa_features[k] = v[_selected_token_indices] + elif k in ["msa", "has_deletion", "deletion_value"]: + cropped_msa_features[k] = v[:, selected_token_indices] + elif k in [ + "prot_pair_num_alignments", + "prot_unpair_num_alignments", + "rna_pair_num_alignments", + "rna_unpair_num_alignments", + ]: + # keep the feature that do not need crop + cropped_msa_features[k] = v + # crop template + cropped_template_features = {} + if template_features is not None: + for k, v in template_features.items(): + if k == "template_restype": + cropped_template_features[k] = v[:, _selected_token_indices] + elif k == "template_all_atom_mask": + cropped_template_features[k] = v[:, _selected_token_indices, :] + elif k == "template_all_atom_positions": + cropped_template_features[k] = v[:, _selected_token_indices, :, :] + else: + raise ValueError(f"Cropping for {k} has not been implemented yet") + + return ( + cropped_token_array, + cropped_atom_array, + cropped_msa_features, + cropped_template_features, + ) + + def get_crop_indices(self, crop_method: str = None) -> torch.Tensor: + """ + Get selected indices based on the selected crop method. + + Args: + crop_method (str): The cropping method to be used. Default is None. + Returns: + selected_indices : torch.Tensor, shape=(N_selected, ) + """ + tokens, chain_id, token_dist_mask_1d, token_indices_in_ref, is_ligand = ( + self.extract_info() + ) + + assert ( + crop_method in self.cand_crop_methods + ), f"Unknown crop method: {crop_method}" + + # add token level ref_space_uid + ref_space_uid_token = self.atom_array.ref_space_uid[ + self.token_array.get_annotation("centre_atom_index") + ] + + atom_num_in_tokens = [] + for token in self.token_array: + atom_num_in_tokens.append(len(token.atom_indices)) + + uid_num_dict = defaultdict(int) + for idx, uid in enumerate(ref_space_uid_token): + uid_num_dict[uid] += atom_num_in_tokens[idx] + atom_sums = torch.tensor( + [uid_num_dict[uid] for idx, uid in enumerate(ref_space_uid_token)] + ) + assert (atom_sums > 0).all().item(), "zero atoms" + + ref_space_uid_token = torch.Tensor(ref_space_uid_token) + + if crop_method == "ContiguousCropping": + selected_token_indices = get_continues_crop_index( + tokens=tokens, + chain_id=chain_id, + ref_space_uid_token=ref_space_uid_token, + atom_sums=atom_sums, + crop_size=self.crop_size, + crop_complete_ligand_unstdRes=self.contiguous_crop_complete_lig, + drop_last=self.drop_last, + remove_metal=self.remove_metal, + ) + reference_token_index = -1 + + else: + interface_crop = ( + True if crop_method == "SpatialInterfaceCropping" else False + ) + token_distance = self.get_token_dist_mat( + token_indices_in_ref=token_indices_in_ref + ) + token_distance_mask = ( + token_dist_mask_1d[token_indices_in_ref][:, None] + * token_dist_mask_1d[None, :] + ) + selected_token_indices, reference_token_index = get_spatial_crop_index( + tokens=tokens, + chain_id=chain_id, + token_distance=torch.Tensor(token_distance), + token_distance_mask=torch.Tensor(token_distance_mask), + reference_chain_id=self.ref_chain_indices, + ref_space_uid_token=ref_space_uid_token, + crop_size=self.crop_size, + crop_complete_ligand_unstdRes=self.spatial_crop_complete_lig, + interface_crop=interface_crop, + ) + return ( + selected_token_indices, + token_indices_in_ref[reference_token_index].item(), + ) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/distributed.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/distributed.py new file mode 100644 index 0000000000000000000000000000000000000000..c0e6c5089c81634d973217879e33889f3638cf6b --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/distributed.py @@ -0,0 +1,72 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os + +import torch + + +def distributed_available() -> bool: + return torch.distributed.is_available() and torch.distributed.is_initialized() + + +class DistWrapper: + def __init__(self) -> None: + self.rank = int(os.environ.get("RANK", 0)) + self.local_rank = int(os.environ.get("LOCAL_RANK", 0)) + self.local_world_size = int(os.environ.get("LOCAL_WORLD_SIZE", 1)) + self.world_size = int(os.environ.get("WORLD_SIZE", 1)) + self.num_nodes = int(self.world_size // self.local_world_size) + self.node_rank = int(self.rank // self.local_world_size) + + def all_gather_object(self, obj, group=None): + """Function to gather objects from several distributed processes. + It is now only used by sync metrics in logger due to security reason. + """ + if self.world_size > 1 and distributed_available(): + with torch.no_grad(): + obj_list = [None for _ in range(self.world_size)] + torch.distributed.all_gather_object(obj_list, obj, group=group) + return obj_list + else: + return [obj] + + +DIST_WRAPPER = DistWrapper() + + +def traverse_and_aggregate(dict_list, aggregation_func=None): + """Traverse list of dicts and merge into a single dict with leaf values joined to list.""" + merged_dict = {} + all_keys = set().union(*dict_list) + for key in all_keys: + agg_value = [m[key] for m in dict_list if key in m] + + if isinstance(agg_value[0], dict): + merged_dict[key] = traverse_and_aggregate( + agg_value, aggregation_func=aggregation_func + ) + else: + if aggregation_func is not None: + agg_value = aggregation_func(agg_value) + merged_dict[key] = agg_value + + return merged_dict + + +def gather_and_merge(metrics, aggregation_func=None): + """Gather metrics from ddp workers and aggregate leaf metrics.""" + gathered_metrics = DIST_WRAPPER.all_gather_object(metrics) # list of metrics + merged_metrics = traverse_and_aggregate(gathered_metrics, aggregation_func) + return merged_metrics diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/file_io.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/file_io.py new file mode 100644 index 0000000000000000000000000000000000000000..93b951e0beec40da850f1ee7f7b9786949fbeeed --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/file_io.py @@ -0,0 +1,103 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import gzip +import json +import pickle +from pathlib import Path +from typing import Any, Union + +import pandas as pd + +from protenix.utils.torch_utils import map_values_to_list + +PANDAS_NA_VALUES = [ + "", + "#N/A", + "#N/A N/A", + "#NA", + "-1.#IND", + "-1.#QNAN", + "-NaN", + "-nan", + "1.#IND", + "1.#QNAN", + "", + "N/A", + # "NA", + "NULL", + "NaN", + "n/a", + "nan", + "null", +] + + +def read_indices_csv(csv: Union[str, Path]) -> pd.DataFrame: + """ + Read a csv file without the content changing. + + Args: + csv (Union[str, Path]): A csv file path. + + Returns: + pd.DataFrame : A pandas DataFrame. + """ + df = pd.read_csv(csv, na_values=PANDAS_NA_VALUES, keep_default_na=False, dtype=str) + return df + + +def load_gzip_pickle(pkl: Union[str, Path]) -> Any: + """ + Load a gzip pickle file. + + Args: + pkl (Union[str, Path]): A gzip pickle file path. + + Returns: + Any: The loaded data. + """ + with gzip.open(pkl, "rb") as f: + data = pickle.load(f) + return data + + +def dump_gzip_pickle(data: Any, pkl: Union[str, Path]): + """ + Dump a gzip pickle file. + + Args: + data (Any): The data to be dumped. + pkl (Union[str, Path]): A gzip pickle file path. + """ + with gzip.open(pkl, "wb") as f: + pickle.dump(data, f) + + +def save_json(data: dict, output_fpath: Union[str, Path], indent: int = 4): + """ + Save a dictionary to a JSON file. + + Args: + data (dict): The dictionary to be saved. + output_fpath (Union[str, Path]): The output file path. + indent (int, optional): The indentation level for the JSON file. Defaults to 4. + """ + data_json = data.copy() + data_json = map_values_to_list(data_json) + with open(output_fpath, "w") as f: + if indent is not None: + json.dump(data_json, f, indent=indent) + else: + json.dump(data_json, f) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/geometry.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/geometry.py new file mode 100644 index 0000000000000000000000000000000000000000..1dfb9bf5cfe1527fe9f9d3d5397127c8d7e4e137 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/geometry.py @@ -0,0 +1,71 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import numpy as np +from scipy.spatial.transform import Rotation + + +def angle_3p(a, b, c): + """ + Calculate the angle between three points in a 2D space. + + Args: + a (list or array-like): The coordinates of the first point. + b (list or array-like): The coordinates of the second point. + c (list or array-like): The coordinates of the third point. + + Returns: + float: The angle in degrees (0, 180) between the vectors + from point a to point b and point b to point c. + """ + a = np.array(a) + b = np.array(b) + c = np.array(c) + + ab = b - a + bc = c - b + + dot_product = np.dot(ab, bc) + + norm_ab = np.linalg.norm(ab) + norm_bc = np.linalg.norm(bc) + + cos_theta = np.clip(dot_product / (norm_ab * norm_bc + 1e-4), -1, 1) + theta_radians = np.arccos(cos_theta) + theta_degrees = np.degrees(theta_radians) + return theta_degrees + + +def random_transform( + points, max_translation=1.0, apply_augmentation=False, centralize=True +) -> np.ndarray: + """ + Randomly transform a set of 3D points. + + Args: + points (numpy.ndarray): The points to be transformed, shape=(N, 3) + max_translation (float): The maximum translation value. Default is 1.0. + apply_augmentation (bool): Whether to apply random rotation/translation on ref_pos + + Returns: + numpy.ndarray: The transformed points. + """ + if centralize: + points = points - points.mean(axis=0) + if not apply_augmentation: + return points + translation = np.random.uniform(-max_translation, max_translation, size=3) + R = Rotation.random().as_matrix() + transformed_points = np.dot(points + translation, R.T) + return transformed_points diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/logger.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/logger.py new file mode 100644 index 0000000000000000000000000000000000000000..da0e52330d498bef29f49b330e0d8c931753053b --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/logger.py @@ -0,0 +1,84 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import logging +from typing import Optional + + +class WarningFilter(logging.Filter): + def filter(self, record): + # Filter out specific warnings by their message or other criteria + if "simtk.openmm" in record.getMessage(): + return False + return True + + +def get_logger( + name: str = "", loglevel: str = "INFO", log_file_path: Optional[str] = None +) -> logging.Logger: + """ + Get a logger with the specified name and add handlers to the root logger. + + Args: + name (str): The name of the logger. Defaults to an empty string. + loglevel (str): The logging level. Defaults to "INFO". + log_file_path (Optional[str]): The path to the log file. Defaults to None. + + Returns: + logging.Logger: The configured logger. + """ + root_logger = logging.getLogger() + logger = logging.getLogger(name) + # we only add handlers to the root logger! Let the propogation handle the rest. + add_handlers(root_logger, loglevel, log_file_path) + return logger + + +def add_handlers( + logger: logging.Logger, loglevel: str, log_file_path: Optional[str] = None +) -> logging.Logger: + """ + Add handlers to the specified logger. + + Args: + logger (logging.Logger): The logger to which handlers will be added. + loglevel (str): The logging level. + log_file_path (Optional[str]): The path to the log file. Defaults to None. + + Returns: + logging.Logger: The logger with added handlers. + """ + fmt = "%(asctime)-15s [%(pathname)s:%(lineno)d] %(levelname)s %(name)s: %(message)s" + formatter = logging.Formatter(fmt) + loglevel = getattr(logging, loglevel.upper(), logging.INFO) + logger.setLevel(loglevel) + + if not logger.handlers: + handler = logging.StreamHandler() + logger.addHandler(handler) + else: + handler = logger.handlers[0] + handler.setFormatter(formatter) + warning_filter = WarningFilter() + handler.addFilter(warning_filter) + + # we output to at most two streams: one stdout and one file + if log_file_path is not None and len(logger.handlers) == 1: + handler = logging.FileHandler(log_file_path, mode="a") + handler.setLevel(logging.INFO) + handler.setFormatter(formatter) + logger.addHandler(handler) + handler.addFilter(warning_filter) + + return logger diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/lr_scheduler.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/lr_scheduler.py new file mode 100644 index 0000000000000000000000000000000000000000..4fd3fc2e86b67b791dfe7557c3a367da158c0010 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/lr_scheduler.py @@ -0,0 +1,146 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import math +import warnings + +import torch +from torch.optim.lr_scheduler import LRScheduler + + +class CosineAnnealingWithWarmup(LRScheduler): + def __init__( + self, + optimizer: torch.optim.Optimizer, + warmup_steps: int, + decay_steps: int, + lr: float, + min_lr: float, + last_epoch: int = -1, + verbose: bool = False, + ): + self.warmup_steps = warmup_steps + self.decay_steps = decay_steps + self.lr = lr + self.min_lr = min_lr + super().__init__(optimizer, last_epoch, verbose) + + def _get_step_lr(self, step): + if step <= self.warmup_steps: + return (step + 1) / (self.warmup_steps + 1) * self.lr + elif step >= self.decay_steps: + return self.min_lr + else: + decay_ratio = (step - self.warmup_steps) / ( + self.decay_steps - self.warmup_steps + ) + assert 0 <= decay_ratio <= 1 + coff = 0.5 * (1.0 + math.cos(math.pi * decay_ratio)) + return self.min_lr + coff * (self.lr - self.min_lr) + + def get_lr(self): + if not self._get_lr_called_within_step: + warnings.warn( + "To get the last learning rate computed by the scheduler, " + "please use `get_last_lr()`.", + UserWarning, + ) + return [ + self._get_step_lr(self.last_epoch) for group in self.optimizer.param_groups + ] + + def _get_closed_form_lr(self): + return [self._get_step_lr(self.last_epoch) for base_lr in self.base_lrs] + + +# The Alphafold3 Learning Rate Scheduler As in 5.4 +class AlphaFold3LRScheduler(LRScheduler): + def __init__( + self, + optimizer: torch.optim.Optimizer, + last_epoch: int = -1, + verbose: bool = False, + warmup_steps: int = 1000, + lr: float = 1.8e-3, + decay_every_n_steps: int = 50000, + decay_factor: float = 0.95, + ) -> None: + self.warmup_steps = warmup_steps + self.decay_steps = decay_every_n_steps + self.lr = lr + self.decay_factor = decay_factor + super(AlphaFold3LRScheduler, self).__init__( + optimizer=optimizer, last_epoch=last_epoch, verbose=verbose + ) + + def _get_step_lr(self, step): + if step <= self.warmup_steps: + lr = step / self.warmup_steps * self.lr + else: + decay_count = step // self.decay_steps + lr = self.lr * (self.decay_factor**decay_count) + return lr + + def get_lr(self) -> list[float]: + if not self._get_lr_called_within_step: + warnings.warn( + "To get the last learning rate computed by the scheduler, " + "please use `get_last_lr()`.", + UserWarning, + ) + return [ + self._get_step_lr(self.last_epoch) for group in self.optimizer.param_groups + ] + + +def get_lr_scheduler( + configs, optimizer: torch.optim.Optimizer, **kwargs +) -> torch.optim.lr_scheduler.LRScheduler: + """ + Get the learning rate scheduler based on the configuration. + + Args: + configs: Configuration object containing scheduler settings. + optimizer (torch.optim.Optimizer): The optimizer to which the scheduler will be attached. + **kwargs: Additional keyword arguments to be passed to the scheduler. + + Returns: + torch.optim.lr_scheduler.LRScheduler: The learning rate scheduler. + + Raises: + ValueError: If the specified learning rate scheduler is invalid. + """ + if configs.lr_scheduler == "af3": + lr_scheduler = AlphaFold3LRScheduler( + optimizer, **configs.af3_lr_scheduler, **kwargs + ) + elif configs.lr_scheduler == "cosine_annealing": + lr_scheduler = CosineAnnealingWithWarmup( + optimizer, + configs.warmup_steps, + configs.max_steps, + configs.lr, + configs.lr * configs.min_lr_ratio, + **kwargs, + ) + elif configs.lr_scheduler == "constant": + lr_scheduler = torch.optim.lr_scheduler.ConstantLR( + optimizer, + factor=1.0, + total_iters=configs.max_steps, + **kwargs, + ) + else: + raise ValueError(f"Invalid lr scheduler: [{configs.lr_scheduler}]") + return lr_scheduler diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/metrics.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/metrics.py new file mode 100644 index 0000000000000000000000000000000000000000..a48d8cfb13d39be0ae8a0c888259949aa227c382 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/metrics.py @@ -0,0 +1,74 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import numpy as np +import torch + +from protenix.utils.distributed import gather_and_merge + +common_aggregator = { + "avg": lambda x: np.mean(x), + "median": lambda x: np.median(x), + "pct90": lambda x: np.percentile(x, 90), + "pct99": lambda x: np.percentile(x, 99), + "max": lambda x: np.max(x), + "min": lambda x: np.min(x), +} + + +class SimpleMetricAggregator(object): + """A quite simple metrics calculator that only do simple metrics aggregation.""" + + def __init__( + self, aggregator_names=None, gather_before_calc=True, need_gather=True + ): + super(SimpleMetricAggregator, self).__init__() + self.gather_before_calc = gather_before_calc + self.need_gather = need_gather + self._metric_data = {} + + self.aggregators = {name: common_aggregator[name] for name in aggregator_names} + + def add(self, key, value, namespace="default"): + value_dict = self._metric_data.setdefault(namespace, {}) + value_dict.setdefault(key, []) + if isinstance(value, (float, int)): + value = np.array([value]) + elif isinstance(value, torch.Tensor): + if value.dim() == 0: + value = np.array([value.item()]) + else: + value = value.detach().cpu().numpy() + elif isinstance(value, np.ndarray): + pass + else: + raise ValueError(f"Unsupported type for metric data: {type(value)}") + value_dict[key].append(value) + + def calc(self): + metric_data, self._metric_data = self._metric_data, {} + if self.need_gather and self.gather_before_calc: + metric_data = gather_and_merge( + metric_data, aggregation_func=lambda l: sum(l, []) + ) + results = {} + for agg_name, agg_func in self.aggregators.items(): + for namespace, value_dict in metric_data.items(): + for key, data in value_dict.items(): + plain_key = f"{namespace}/{key}" if namespace != "default" else key + plain_key = f"{plain_key}.{agg_name}" + results[plain_key] = agg_func(np.concatenate(data, axis=0)) + if self.need_gather and not self.gather_before_calc: # need gather after calc + results = gather_and_merge(results, aggregation_func=np.mean) + return results diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/atom_permutation.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/atom_permutation.py new file mode 100644 index 0000000000000000000000000000000000000000..7868c66cd1c6c662fd75d3205a1b681b95dfc702 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/atom_permutation.py @@ -0,0 +1,823 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch + +from protenix.metrics.rmsd import rmsd, self_aligned_rmsd +from protenix.model.utils import expand_at_dim, pad_at_dim +from protenix.utils.logger import get_logger +from protenix.utils.permutation.utils import Checker, save_permutation_error + +logger = get_logger(__name__) + + +def run( + pred_coord: torch.Tensor, + true_coord: torch.Tensor, + true_coord_mask: torch.Tensor, + ref_space_uid: torch.Tensor, + atom_perm_list: torch.Tensor, + permute_label: bool = True, + alignment_mask: torch.Tensor = None, + error_dir: str = None, + dataset_name: str = None, + pdb_id: str = None, + global_align_wo_symmetric_atom: bool = False, +): + """apply a permutation to correct symmetric atoms in residues. + + Args: + Please refer to the args of `correct_symmetric_atoms`. + + Returns: + if permute_label = True, + output_dict: a dictionary in the following form, recording the permuted label. + { + "coordinate": permuted_coord, + "coordinate_mask": permuted_mask, + } + info_dict: a dictionary of logging. + if permute_label = False, + output_dict: a dictionary in the following form, recording the permuted prediction. + { + "coordinate": permuted_coord, + } + info_dict: a dictionary of logging. + """ + try: + permuted_coord, permuted_mask, info_dict, indices_permutation = ( + correct_symmetric_atoms( + pred_coord=pred_coord, + true_coord=true_coord, + true_coord_mask=true_coord_mask, + ref_space_uid=ref_space_uid, + atom_perm_list=atom_perm_list, + permute_label=permute_label, + alignment_mask=alignment_mask, + global_align_wo_symmetric_atom=global_align_wo_symmetric_atom, + ) + ) + if permute_label: + return ( + { + "coordinate": permuted_coord, + "coordinate_mask": permuted_mask, + }, + info_dict, + indices_permutation, + ) + else: + return {"coordinate": permuted_coord}, info_dict, indices_permutation + + except Exception as e: + error_message = str(e) + if dataset_name: + logger.warning(f"dataset: {dataset_name}") + if pdb_id: + logger.warning(f"pdb id: {pdb_id}") + logger.warning(error_message) + save_permutation_error( + data={ + "error_message": error_message, + "pred_coord": pred_coord, + "true_coord": true_coord, + "true_coord_mask": true_coord_mask, + "ref_space_uid": ref_space_uid, + "atom_perm_list": atom_perm_list, + "permute_label": permute_label, + "alignment_mask": alignment_mask, + "dataset_name": dataset_name, + "pdb_id": pdb_id, + }, + error_dir=error_dir, + ) + return {}, {}, None + + +def collect_residues_with_symmetric_atoms( + coord: torch.Tensor, + coord_mask: torch.Tensor, + ref_space_uid: torch.Tensor, + atom_perm_list: list[list], + run_checker: bool = False, +) -> tuple[list]: + """Convert atom-level permutation attributes to residue-level attributes. + Only residues that require symmetric corrections are returned. + + Args: + coord (torch.Tensor): Coordinates of atoms. + [N_atom, 3] + coord_mask (torch.Tensor): The mask indicating whether the atom is resolved in GT. + [N_atom] + ref_space_uid (torch.Tensor): Each (chain id, residue index) tuple has a unique ID. + [N_atom] + atom_perm_list (list[list]): The atom permutation list, where each sublist contains + the permutation information of the corresponding residue. + len(atom_perm_list) = N_atom. + len(atom_perm_list[i]) = N_perm for the residue of atom i. + + """ + + device = coord_mask.device + + # Find start & end positions of each residue + diff = torch.tensor([True] + (ref_space_uid[1:] != ref_space_uid[:-1]).tolist()) + start_positions = torch.cat( + (torch.nonzero(diff, as_tuple=True)[0], torch.tensor([len(ref_space_uid)])) + ) + res_start_end = list( + zip(start_positions[:-1].tolist(), start_positions[1:].tolist()) + ) # [N_res, 2] + N_res = len(res_start_end) + assert N_res == len(torch.unique(ref_space_uid)) + + position_list = [] + perm_list = [] + coord_list = [] + coord_mask_list = [] + + # Traverse residues and store the corresponding data + for start, end in res_start_end: + + assert len(torch.unique(ref_space_uid[start:end])) == 1 + + # Skip if this residue contains < 3 resolved atoms. + # Alignment requires at least 3 atoms to obtain a reasonable result. + res_coord_mask = coord_mask[start:end].bool() # [N_res_atom] + if res_coord_mask.sum() < 3: + continue + + # Drop duplicated permutations + perm = torch.tensor(atom_perm_list[start:end], device=device, dtype=torch.long) + perm = torch.unique(perm, dim=-1) # [N_res_atom, N_perm] + N_res_atom, N_perm = perm.size() + + # Basic checks + assert perm.min().item() == 0 + assert perm.max().item() == N_res_atom - 1 + + # Development checks + if run_checker: + Checker.are_permutations(perm, dim=0) + Checker.contains_identity(perm, dim=0) + + # If all symmetric atoms are unresolved, drop the permutation + identity_perm = torch.arange(len(perm), device=device).unsqueeze( + dim=-1 + ) # [N_res_atom, 1] + is_sym_atom = perm != identity_perm # [N_res_atom, N_perm] + is_sym_atom_resolved = is_sym_atom * res_coord_mask.unsqueeze(dim=-1) + is_valid_perm = is_sym_atom_resolved.any(dim=0) + if not is_valid_perm.any(): + # Skip if no valid permutation (other than identity) exists + continue + perm = perm[..., is_valid_perm] + perm = torch.cat([identity_perm, perm], dim=-1) # Put identity to the first + perm = perm.transpose(-1, -2) # [N_perm, N_res_atom] + + position_list.append((start, end)) + perm_list.append(perm) + coord_mask_list.append(res_coord_mask) + coord_list.append(coord[start:end, :]) + + return position_list, coord_list, coord_mask_list, perm_list, N_res + + +def collect_permuted_coords( + coord_list: list[torch.Tensor], + coord_mask_list: list[torch.Tensor], + perm_list: list[torch.Tensor], + run_checker: bool = False, +) -> tuple[torch.Tensor]: + """Apply permutations to coordinates and coordinate masks + + Args: + coord_list (list[torch.Tensor]): A list of coordinates. + Each element is a tensor of shape [N_res_atom, 3]. The value N_res_atom can + vary across different residues. + coord_mask_list (list[torch.Tensor]): A list of coordinate masks. + Each element is a tensor of shape [N_res_atom]. + perm_list (list[torch.Tensor]): list of permutations. + Each element is a long tensor of shape [N_perm, N_res_atom]. The value N_perm + can vary across different residues. + + Returns: + torch.Tensor: + [N_total_perm, MAX_N_res_atom, 3] + [N_total_perm, MAX_N_res_atom] + """ + + MAX_N_res_atom = max(perm.size(-1) for perm in perm_list) + perm_coord = [] # [N_total_perm, N_res_atom, 3] + perm_coord_mask = [] # [N_total_perm, N_res_atom] + + N_total_perm = 0 + for perm, res_coord, res_coord_mask in zip(perm_list, coord_list, coord_mask_list): + + # Basic shape checks + N_perm, N_res_atom = perm.size() + assert res_coord.size(-1) == 3 + assert res_coord.size(0) == res_coord_mask.size(0) == perm.size(-1) + + # Permute coordinates & masks + res_coord_permuted = res_coord[perm] # [N_perm, N_res_atom, 3] + res_coord_mask_permuted = res_coord_mask[perm] # [N_perm, N_res_atom] + assert res_coord_permuted.size() == (N_perm, N_res_atom, 3) + assert res_coord_mask_permuted.size() == (N_perm, N_res_atom) + + if run_checker: + Checker.are_permutations(perm, dim=-1) + Checker.batch_permute(perm, res_coord, res_coord_permuted) + Checker.batch_permute(perm, res_coord_mask, res_coord_mask_permuted) + + # Pad to MAX_N_res_atom + N_res_atom = perm.size(dim=-1) + if N_res_atom < MAX_N_res_atom: + pad_length = (0, MAX_N_res_atom - N_res_atom) + res_coord_permuted = pad_at_dim( + res_coord_permuted, dim=-2, pad_length=pad_length + ) # [N_perm, MAX_N_res_atom, 3] + res_coord_mask_permuted = pad_at_dim( + res_coord_mask_permuted, dim=-1, pad_length=pad_length + ) + + N_total_perm += N_perm + perm_coord.append(res_coord_permuted) + perm_coord_mask.append(res_coord_mask_permuted) + + perm_coord = torch.cat(perm_coord, dim=0) + perm_coord_mask = torch.cat(perm_coord_mask, dim=0) + + # Shape check + assert perm_coord.size() == (N_total_perm, MAX_N_res_atom, 3) + assert perm_coord_mask.size() == (N_total_perm, MAX_N_res_atom) + + return perm_coord, perm_coord_mask + + +class AtomPermutation(object): + def __init__( + self, + eps: float = 1e-8, + run_checker: bool = False, + global_align_wo_symmetric_atom: bool = False, + ): + """Class for assigning the optimal permutations of true coordinates/pred coordinates and coordinate masks. + + Args: + eps (float): A small number used in alignment. + run_checker (bool): If true, it applies more checkers to ensure the correctness. + global_align_wo_symmetric_atom (bool): If true, the global alignment before AtomPermutation will not consider atoms with permutation. + """ + + self.eps = eps + self.run_checker = run_checker + self.global_align_wo_symmetric_atom = global_align_wo_symmetric_atom + + @staticmethod + def check_input_shape( + pred_coord: torch.Tensor, + true_coord: torch.Tensor, + true_coord_mask: torch.Tensor, + ref_space_uid: torch.Tensor, + atom_perm_list: list[list], + ): + + N_atom = len(true_coord) + assert true_coord.dim() == 2 + assert true_coord_mask.dim() == 1 + assert ref_space_uid.dim() == 1 + + assert true_coord.size(-1) == 3 + assert true_coord.size(-2) == N_atom + assert ref_space_uid.size(-1) == N_atom + assert len(atom_perm_list) == N_atom + + assert pred_coord.dim() in [2, 3] # for simplicity + assert pred_coord.shape[-2:] == (N_atom, 3) + + @staticmethod + def global_align_pred_to_true( + pred_coord: torch.Tensor, + true_coord: torch.Tensor, + true_coord_mask: torch.Tensor, + eps: float = 1e-8, + ) -> tuple[torch.Tensor]: + """Align the predicted coordinates to true coordinates + + Args: + pred_coord (torch.Tensor): + [Batch, N_atom, 3] or [N_atom, 3] + true_coord (torch.Tensor): + [N_atom, 3] + true_coord_mask (torch.Tensor): + [N_atom, 3] + + Returns: + aligned_rmsd (torch.Tensor): + [Batch] or [] + transformed_pred_coord (torch.Tensor): having the same shape as pred_coord. + [Batch, N_atom, 3] or [N_atom, 3] + """ + + if true_coord.dim() < pred_coord.dim(): + assert pred_coord.dim() == 3 # [Batch, N_atom, 3] + Batch = pred_coord.size(0) + expand_func = lambda x: expand_at_dim(x, dim=0, n=Batch) + else: + expand_func = lambda x: x + + with torch.cuda.amp.autocast(enabled=False): + aligned_rmsd, transformed_pred_coord, _, _ = self_aligned_rmsd( + pred_pose=pred_coord.to(torch.float32), + true_pose=expand_func(true_coord.to(torch.float32)), + atom_mask=expand_func(true_coord_mask), + allowing_reflection=False, + reduce=False, + eps=eps, + ) # [Batch], [Batch, N_atom, 3] + + return aligned_rmsd, transformed_pred_coord + + @staticmethod + def get_identity_permutation(batch_shape, N_atom, device): + """Return identity permutation indices if no multiple-permutation exists for every residue + + Returns: + torch.Tensor: identity permutation of indices + [N_atom] or [Batch, N_atom] + """ + identity = torch.arange(N_atom, device=device) + if len(batch_shape) == 0: + return identity + else: + assert len(batch_shape) == 1 + return torch.stack([identity for _ in range(batch_shape[0])], dim=0) + + @staticmethod + def _optimize_per_residue_permutation_by_rmsd( + per_residue_pred_coord_list: list[torch.Tensor], + per_residue_coord_list: list[torch.Tensor], + per_residue_coord_mask_list: list[torch.Tensor], + per_residue_perm_list: list[torch.Tensor], + eps: float = 1e-8, + run_checker: bool = False, + ) -> tuple[list[torch.Tensor]]: + """Find the optimal permutations of true coordinates and coordinate masks to minimize the + RMSD between true coordinates and predicted coordinates. + + Args: + per_residue_pred_coord_list (torch.Tensor): List of residues. Each element records + the predicted atom coordinates of one residue. Each element has shape + [N_res_atom, 3] or [Batch, N_res_atom, 3] + per_residue_coord_list (list[torch.Tensor]): List of residues. Each element records + the atom coordinates of one residue. Each element has shape [N_res_atom, 3]. + per_residue_coord_mask_list (list[torch.Tensor]): List of residues. Each element records + the atom coordinate masks of one residue. Each element has shape [N_res_atom]. + per_residue_perm_list (list[torch.Tensor]): List of residues. Each element records + the atom permutations of one residue. Each element has shape [N_perm, N_res_atom]. + eps (float, optional): A small number, used in alignment. Defaults to 1e-8. + run_checker (bool, optional): If True, run extensive checks. + + Returns: + best_permutation_list (list[torch.Tensor]): List of residues. Each element records the + optimal permutation that should apply to true coordinates for one residue. Each element + has shape + [N_res_atom] or [Batch, N_res_atom] + is_permuted_list (list[torch.Tensor]): List of residues. Each element records whether the + atoms in this residue is permuted. Each element has shape + [] or [Batch] + optimized_rmsd_list (list[torch.Tensor]): List of residues. Each element records the optimized + rmsd of the residue. Each element has shape + [] or [Batch] + original_rmsd_list (list[torch.Tensor]): List of residues. Each element records the original + rmsd of the residue. Each element has shape + [] or [Batch] + """ + + # Find max number of per-residue atoms + per_residue_N_perm = [perm.size(0) for perm in per_residue_perm_list] + per_residue_N_atom = [perm.size(1) for perm in per_residue_perm_list] + N_max_atom = max(per_residue_N_atom) + + # Permute true coordinates & masks according to the permutations in per_residue_perm_list + permuted_coord, permuted_coord_mask = collect_permuted_coords( + coord_list=per_residue_coord_list, + coord_mask_list=per_residue_coord_mask_list, + perm_list=per_residue_perm_list, + run_checker=run_checker, + ) # [N_total_perm, N_max_atom, 3], [N_total_perm, N_max_atom] + assert permuted_coord.size(-2) == permuted_coord_mask.size(-1) == N_max_atom + N_total_perm = permuted_coord.size(0) + + # Pad 'pred_coord' to the same shape as 'permuted_coord' + per_residue_pred_coord_list = [ + pad_at_dim( + p_coord, dim=-2, pad_length=(0, N_max_atom - p_coord.size(dim=-2)) + ) + for p_coord in per_residue_pred_coord_list + ] + # Repeat N_perm times for each residue + pred_coord = torch.stack( + sum( + [ + [p_coord] * N_perm + for N_perm, p_coord in zip( + per_residue_N_perm, per_residue_pred_coord_list + ) + ], + [], + ), + dim=-3, + ) # [N_total_perm, N_max_atom, 3] or [Batch, N_total_perm, N_max_atom, 3] + assert pred_coord.shape[-3:] == (N_total_perm, N_max_atom, 3) + + batch_shape = pred_coord.shape[:-3] + assert len(batch_shape) in [0, 1] + if len(batch_shape) == 1: + # expand true coord & mask to have the same batch size as pred coord + Batch = pred_coord.size(0) + permuted_coord = expand_at_dim(permuted_coord, dim=0, n=Batch) + permuted_coord_mask = expand_at_dim(permuted_coord_mask, dim=0, n=Batch) + + # Compute per-residue rmsd + with torch.cuda.amp.autocast(enabled=False): + per_res_rmsd = rmsd( + pred_pose=pred_coord.to(torch.float32), + true_pose=permuted_coord.to(torch.float32), + mask=permuted_coord_mask, + eps=eps, + reduce=False, + ) # [N_total_perm] or [Batch, N_total_perm] + assert per_res_rmsd.size() == batch_shape + (N_total_perm,) + + # Find the best permutation + best_permutation_list = [] + is_permuted_list = [] + original_rmsd_list = [] + optimized_rmsd_list = [] + i = 0 + + # Enumerate over all residues (could be improved by scatter) + for N_perm, N_res_atom, perm in zip( + per_residue_N_perm, per_residue_N_atom, per_residue_perm_list + ): + cur_res_rmsd = per_res_rmsd[..., i : i + N_perm] # [batch_shape, N_perm] + best_rmsd, best_j = torch.min(cur_res_rmsd, dim=-1) # [batch_shape] + best_perm = perm[best_j] # [batch_shape, N_res_atom] + best_permutation_list.append(best_perm) + + is_permuted_list.append( + best_j > 0 + ) # The first of the perm lists is the identity + + optimized_rmsd_list.append(best_rmsd) + original_rmsd_list.append(cur_res_rmsd[..., 0]) + + i += N_perm + + if run_checker: + assert perm.size() == (N_perm, N_res_atom) + assert cur_res_rmsd.size() == batch_shape + (N_perm,) + assert best_rmsd.size() == batch_shape + assert best_j.size() == batch_shape + assert best_perm.size() == batch_shape + (N_res_atom,) + Checker.are_permutations(best_perm, dim=-1) + + def _check_identity(j_value, perm): + if j_value > 0: + Checker.not_contain_identity(perm) + else: + Checker.contains_identity(perm) + + if best_j.dim() == 0: + _check_identity(best_j, best_perm) + else: + for j_value, perm_j in zip(best_j, best_perm): + _check_identity(j_value, perm_j) + + return ( + best_permutation_list, + is_permuted_list, + optimized_rmsd_list, + original_rmsd_list, + ) + + def __call__( + self, + pred_coord: torch.Tensor, + true_coord: torch.Tensor, + true_coord_mask: torch.Tensor, + ref_space_uid: torch.Tensor, + atom_perm_list: list[list], + alignment_mask: torch.Tensor, + verbose: bool = False, + run_checker: bool = False, + ): + """ + + Args: + pred_coord (torch.Tensor): Predicted coordinates of atoms. + [N_atom, 3] or [Batch, atom, 3] + true_coord (torch.Tensor): true coordinates of atoms. + [N_atom, 3] + true_coord_mask (torch.Tensor): The mask indicating whether the atom is resolved. + [N_atom] + ref_space_uid (torch.Tensor): Each (chain id, residue index) tuple has a unique ID. + [N_atom] + atom_perm_list (list[list]): The atom permutation list, where each sublist contains + the permutation information of the corresponding residue. + len(atom_perm_list) = N_atom. + len(atom_perm_list[i]) = N_perm for the residue of atom i. + permute_label (bool, optional): If true, return indices permutations of the true coordinate. + Otherwise, return indices permutations for the predicted coordinate. Defaults to True. + alignment_mask (torch.Tensor, optional): Defaults to None. A mask indicating which atoms to + consider while performing the alignment. + verbose (bool, optional): Defaults to False. + run_checker (bool, optional): Whether running more checks for debug. Defaults to False. + + Returns: + permutation (torch.Tensor): the optimized permutation of atoms. + [N_atom] or [Batch, N_atom] + log_dict (Dict): a dictionary recording the permutation stats. + """ + + # Basic Info & Shape checker + device = pred_coord.device + batch_shape = pred_coord.shape[:-2] + N_atom = pred_coord.size(-2) + self.check_input_shape( + pred_coord, true_coord, true_coord_mask, ref_space_uid, atom_perm_list + ) + + # Initialize log dict + log_dict = {} + + # Initialize the permutation as identity + permutation = self.get_identity_permutation( + batch_shape, N_atom=N_atom, device=device + ) + + # Collect residues that require permutations + ( + per_residue_position_list, + per_residue_coord_list, + per_residue_coord_mask_list, + per_residue_perm_list, + N_res, + ) = collect_residues_with_symmetric_atoms( + coord=true_coord, + coord_mask=true_coord_mask, + ref_space_uid=ref_space_uid, + atom_perm_list=atom_perm_list, + run_checker=run_checker, + ) + log_dict["N_res"] = N_res + log_dict["N_res_with_symmetry"] = len(per_residue_coord_list) + log_dict["N_res_permuted"] = 0.0 + log_dict["has_res_permuted"] = 0 + + # If no residues contain symmetry, return now. + if not per_residue_perm_list: + print("No atom permutation is needed. Return the identity permutation.") + return (permutation, log_dict) + + # no_permute_atom_mask: 1 represent this atom can not be permuted + no_permute_atom_mask = torch.ones_like(true_coord_mask) + for (start, end), per_residue_perm in zip( + per_residue_position_list, per_residue_perm_list + ): + no_permute_atom_mask[start:end] = 1 - ( + (per_residue_perm != per_residue_perm[0]).sum(dim=0) > 0 + ).to(torch.int32) + + # Perform a global alignment of predictions to true coordinates + if alignment_mask is None: + alignment_mask = true_coord_mask + else: + alignment_mask = true_coord_mask * alignment_mask.bool() + if self.global_align_wo_symmetric_atom: + alignment_mask = no_permute_atom_mask * alignment_mask + + if alignment_mask.sum().item() < 3: + print("No atom permutation is needed. Return the identity permutation.") + return (permutation, log_dict) + + # This is for atom permutation, use mask with different strategies + _, transformed_pred_coord = self.global_align_pred_to_true( + pred_coord, + true_coord, + alignment_mask, + eps=self.eps, + ) + # This is for unpermuted all-atom baseline calculation + aligned_rmsd, _ = self.global_align_pred_to_true( + pred_coord, + true_coord, + true_coord_mask, + eps=self.eps, + ) + log_dict["unpermuted_rmsd"] = aligned_rmsd.mean().item() # [Batch] + + """ + To efficiently optimize the residues parallely, group the residues + according to the number of atoms in each residue. + """ + per_residue_N_atom = [coord.size(0) for coord in per_residue_coord_list] + res_atom_cutoff = [15, 30, 50, 100, 100000] + grouped_indices = {} + for i, n in enumerate(per_residue_N_atom): + for atom_cutoff in res_atom_cutoff: + if n <= atom_cutoff: + break + grouped_indices.setdefault(atom_cutoff, []).append(i) + + assert len(sum(list(grouped_indices.values()), [])) == len( + per_residue_perm_list + ) + + residue_position_list = [] + residue_best_permutation_list = [] + residue_is_permuted_list = [] + residue_optimized_rmsd_list = [] + residue_original_rmsd_list = [] + for atom_cutoff, residue_group in grouped_indices.items(): + + if verbose: + print(f"{len(residue_group)} residues have <={atom_cutoff} atoms.") + + # Enumerte permutations within each residue to minimize per-residue RMSD + per_res_pos_list = [per_residue_position_list[i] for i in residue_group] + ( + per_res_best_permutation, + per_res_is_permuted, + per_res_optimized_rmsd, + per_res_ori_rmsd, + ) = self._optimize_per_residue_permutation_by_rmsd( + per_residue_pred_coord_list=[ + transformed_pred_coord[..., pos[0] : pos[1], :] + for pos in per_res_pos_list + ], + per_residue_coord_list=[ + per_residue_coord_list[i] for i in residue_group + ], + per_residue_coord_mask_list=[ + per_residue_coord_mask_list[i] for i in residue_group + ], + per_residue_perm_list=[per_residue_perm_list[i] for i in residue_group], + eps=self.eps, + run_checker=self.run_checker, + ) + residue_position_list.extend(per_res_pos_list) + residue_best_permutation_list.extend(per_res_best_permutation) + residue_is_permuted_list.extend(per_res_is_permuted) + residue_optimized_rmsd_list.extend(per_res_optimized_rmsd) + residue_original_rmsd_list.extend(per_res_ori_rmsd) + + # Aggregate per_residue results + # 1. Best permutation + indices_list = [ + torch.arange(pos[0], pos[1], device=device) for pos in residue_position_list + ] + residue_atom_indices = torch.cat(indices_list, dim=-1) # [N_perm_atom] + residue_best_permutation = torch.cat( + [ + ind[perm] + for ind, perm in zip(indices_list, residue_best_permutation_list) + ], + dim=-1, + ) # [Batch, N_perm_atom] or [N_perm_atom] + permutation[..., residue_atom_indices] = residue_best_permutation + + # 2. Other statistics + is_res_permuted = torch.stack(residue_is_permuted_list, dim=-1).float() + log_dict["N_res_permuted"] = is_res_permuted.sum(dim=-1).mean().item() + log_dict["has_res_permuted"] = ( + (is_res_permuted.sum(dim=-1) > 0).float().mean().item() + ) + + return permutation, log_dict + + +def correct_symmetric_atoms( + pred_coord: torch.Tensor, + true_coord: torch.Tensor, + true_coord_mask: torch.Tensor, + ref_space_uid: torch.Tensor, + atom_perm_list: list[list], + permute_label: bool = True, + alignment_mask: torch.Tensor = None, + verbose: bool = False, + run_checker: bool = False, + eps: float = 1e-8, + global_align_wo_symmetric_atom: bool = False, +): + """ + Return optimally permuted true coordinates and masks according to the predicted coordinates + Or, return optimalled permuted predicted coordinates if permute_label is False. + + Args: + pred_coord (torch.Tensor): predicted atom positions + [Batch, N_atom, 3] or [N_atom, 3] + true_coord (torch.Tensor): true atom positions + true_coord_mask (torch.Tensor): a mask indicating whether the atom is resolved. + ref_space_uid (torch.Tensor): unique residue ID for each atom. + [N_atom] + atom_perm_list (list[list]): The atom permutation list, where each sublist contains + the permutation information of the corresponding residue. + len(atom_perm_list) = N_atom. + len(atom_perm_list[i]) = N_perm for the residue of atom i. + permute_label (bool): indicates whether permuted true coordinates are returned or + predicted coordinates are returned. + alignment_mask (torch.Tensor, optional): a mask indicating which atoms are considered while + performing the alignment. + [N_atom] + eps (float, optional): A small number used in alignment. Defaults to 1e-8. + global_align_wo_symmetric_atom (bool): If true, the global alignment before AtomPermutation will not consider atoms has permutation. + + Returns: + If permute_label is True, it returns + coordinate (torch.Tensor): permuted true coordinates. + [Batch, N_atom, 3] or [N_atom, 3] + coordinate_mask (torch.Tensor): permuted true coordinate masks. + [Batch, N_atom] or [N_atom] + If permuted_label is False, it returns the permuted prediction. + [Batch, N_atom, 3] or [N_atom, 3] + + log_dict: logging info for the permutation + percent_res_permuted (torch.Tensor): percentage of residues (excluding those with less than 3 atoms or identity perm only) that have been permuted + best_aligned_rmsd_improved: rmsd improved after permutation, using self_aligned_rmsd + """ + + assert pred_coord.dim() in [2, 3] + assert pred_coord.size(-1) == 3 + + if alignment_mask is not None: + alignment_mask = (true_coord_mask * alignment_mask).bool() + else: + alignment_mask = true_coord_mask.bool() + + with torch.no_grad(): + # Do not compute gradient while optimizing the permutation + atom_perm = AtomPermutation( + run_checker=run_checker, + eps=eps, + global_align_wo_symmetric_atom=global_align_wo_symmetric_atom, + ) + indices_permutation, log_dict = atom_perm( + pred_coord, + true_coord, + true_coord_mask, + ref_space_uid, + atom_perm_list, + alignment_mask=alignment_mask, + verbose=verbose, + ) + + # Log aligned rmsd after permutation + if "unpermuted_rmsd" in log_dict: + # This is the final permuted all-atom rmsd + permuted_rmsd, _ = AtomPermutation.global_align_pred_to_true( + pred_coord, + true_coord[indices_permutation], + true_coord_mask[indices_permutation], + eps=eps, + ) + log_dict["permuted_rmsd"] = permuted_rmsd.mean().item() + log_dict["improved_rmsd"] = ( + log_dict["unpermuted_rmsd"] - log_dict["permuted_rmsd"] + ) + + if permute_label: + return ( + true_coord[indices_permutation], + true_coord_mask[indices_permutation], + log_dict, + indices_permutation, + ) + else: + # Find the permutation of the prediction + if pred_coord.dim() == 2: + # Inverse permutation for 1D case + indices_permutation = torch.argsort(indices_permutation) + pred_coord_permuted = pred_coord[indices_permutation] + else: + # Inverse permutation for 2D case (batch mode) + indices_permutation = torch.argsort(indices_permutation, dim=1) + indices_permutation_expanded = expand_at_dim( + indices_permutation, dim=-1, n=3 + ) # [Batch, N_atom, 3] + pred_coord_permuted = pred_coord.gather(1, indices_permutation_expanded) + + return pred_coord_permuted, None, log_dict, indices_permutation diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..771cefbbc42fe91566dae7f6c599de21b6bf7b03 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/__init__.py @@ -0,0 +1,126 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import traceback +from typing import Union + +import torch + +from protenix.utils.logger import get_logger +from protenix.utils.permutation.utils import save_permutation_error + +from .heuristic import correct_symmetric_chains +from .pocket_based_permutation import permute_pred_to_optimize_pocket_aligned_rmsd + +logger = get_logger(__name__) + + +def run( + pred_coord: torch.Tensor, + input_feature_dict: dict[str, Union[torch.Tensor, int, float, dict]], + label_full_dict: dict[str, Union[torch.Tensor, int, float, dict]], + max_num_chains: int = -1, + permute_label: bool = True, + permute_by_pocket: bool = False, + error_dir: str = None, + **kwargs, +) -> tuple[dict]: + """ + Run chain permutation. + + + Args: + pred_coord (torch.Tensor): The predicted coordinates. Shape: [N_atoms, 3]. + input_feature_dict (dict[str, Union[torch.Tensor, int, float, dict]]): A dictionary containing input features. + label_full_dict (dict[str, Union[torch.Tensor, int, float, dict]]): A dictionary containing full label information. + max_num_chains (int, optional): The maximum number of chains to consider. Defaults to -1 (no limit). + permute_label (bool, optional): Whether to permute the label. Defaults to True. + permute_by_pocket (bool, optional): Whether to permute by pocket (for PoseBusters dataset). Defaults to False. + error_dir (str, optional): Directory to save error data. Defaults to None. + **kwargs: Additional keyword arguments. + + Returns: + tuple[dict]: A tuple containing the output dictionary, log dictionary, permuted prediction indices, and permuted label indices. + """ + + if pred_coord.dim() > 2: + assert ( + permute_label is False + ), "Only supports prediction permutations in batch mode." + + try: + + if permute_by_pocket: + """Optimize the chain assignment on pocket-ligand interface""" + assert not permute_label + + if label_full_dict["pocket_mask"].dim() == 2: + # first pocket is the `main` pocket + pocket_mask = label_full_dict["pocket_mask"][0] + ligand_mask = label_full_dict["interested_ligand_mask"][0] + else: + pocket_mask = label_full_dict["pocket_mask"] + ligand_mask = label_full_dict["interested_ligand_mask"] + + permute_pred_indices, permuted_aligned_pred_coord, log_dict = ( + permute_pred_to_optimize_pocket_aligned_rmsd( + pred_coord=pred_coord, + true_coord=label_full_dict["coordinate"], + true_coord_mask=label_full_dict["coordinate_mask"], + true_pocket_mask=pocket_mask, + true_ligand_mask=ligand_mask, + atom_entity_id=input_feature_dict["entity_mol_id"], + atom_asym_id=input_feature_dict["mol_id"], + mol_atom_index=input_feature_dict["mol_atom_index"], + use_center_rmsd=kwargs.get("use_center_rmsd", False), + ) + ) + output_dict = {"coordinate": permuted_aligned_pred_coord} + permute_label_indices = [] + + else: + """Optimize the chain assignment on all chains""" + output_dict, log_dict, permute_pred_indices, permute_label_indices = ( + correct_symmetric_chains( + pred_dict={**input_feature_dict, "coordinate": pred_coord}, + label_full_dict=label_full_dict, + max_num_chains=max_num_chains, + permute_label=permute_label, + **kwargs, + ) + ) + + except Exception as e: + error_message = f"{e}:\n{traceback.format_exc()}" + logger.warning(error_message) + save_permutation_error( + data={ + "error_message": error_message, + "pred_dict": {**input_feature_dict, "coordinate": pred_coord}, + "label_full_dict": label_full_dict, + "max_num_chains": max_num_chains, + "permute_label": permute_label, + "dataset_name": input_feature_dict.get("dataset_name", None), + "pdb_id": input_feature_dict.get("pdb_id", None), + }, + error_dir=error_dir, + ) + output_dict, log_dict, permute_pred_indices, permute_label_indices = ( + {}, + {}, + [], + [], + ) + + return output_dict, log_dict, permute_pred_indices, permute_label_indices diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/heuristic.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/heuristic.py new file mode 100644 index 0000000000000000000000000000000000000000..9b9a12da8c80cc264547cb0f8b337977c3ca96bc --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/heuristic.py @@ -0,0 +1,946 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import random + +import torch + +from protenix.metrics.rmsd import rmsd, self_aligned_rmsd +from protenix.utils.logger import get_logger +from protenix.utils.permutation.chain_permutation.utils import ( + apply_transform, + get_optimal_transform, + num_unique_matches, +) +from protenix.utils.permutation.utils import Checker + +logger = get_logger(__name__) + +ExtraLabelKeys = [ + "pocket_mask", + "interested_ligand_mask", + "chain_1_mask", + "chain_2_mask", + "entity_mol_id", + "mol_id", + "mol_atom_index", + "pae_rep_atom_mask", +] + + +def correct_symmetric_chains( + pred_dict: dict, + label_full_dict: dict, + extra_label_keys: list[str] = ExtraLabelKeys, + max_num_chains: int = 20, + permute_label: bool = True, + **kwargs, +): + """Inputs + + Args: + pred_dict (dict[str, torch.Tensor]): A dictionary containing: + - coordinate: pred_dict["coordinate"] + shape = [N_cropped_atom, 3] or [Batch, N_cropped_atom, 3]. + - other keys: entity_mol_id, mol_id, mol_atom_index, pae_rep_atom_mask, is_ligand. + shape = [N_cropped_atom] + label_full_dict (dict[str, torch.Tensor]): A dictionary containing + - coordinate: label_full_dict["coordinate"] and label_full_dict["coordinate_mask"] + shape = [N_atom, 3] and [N_atom] (for coordinate_mask) + - other keys: entity_mol_id, mol_id, mol_atom_index, pae_rep_atom_mask. + shape = [N_atom] + - extra keys: keys specified by extra_feature_keys. + extra_label_keys (list[str]): + - Additional features in label_full_dict that should be returned along with the permuted coordinates. + max_num_chains (int): if the number of chains is more than this number, than skip permutation to + avoid expensive computations. + permute_label (bool): if true, permute the groundtruth chains, otherwise premute the prediction chains + + Return: + output_dict: + If permute_label=True, this is a dictionary containing + - coordinate + - coordinate_mask + - features specified by extra_label_keys. + If permute_label=False, this is a dictionary containing + - coordinate. + + log_dict: statistics. + + permute_pred_indices / permute_label_indices: + If batch_mode, this is a list of LongTensor. Otherwise, this is a LongTensor. + The LongTensor gives the indices to permute either prediction or label. + """ + + assert pred_dict["coordinate"].dim() in [2, 3] + batch_mode = pred_dict["coordinate"].dim() > 2 + + if not batch_mode: + ( + best_match, + permute_pred_indices, + permute_label_indices, + output_dict, + log_dict, + ) = _correct_symmetric_chains_for_one_sample( + pred_dict, + label_full_dict, + max_num_chains, + permute_label, + extra_label_keys=extra_label_keys, + **kwargs, + ) + return output_dict, log_dict, permute_pred_indices, permute_label_indices + else: + assert not permute_label, "Only supports prediction permutations in batch mode." + pred_coord = [] + log_dict = {} + best_matches = [] + permute_pred_indices = [] + permute_label_indices = [] + # Loop over all samples to find best matches one by one + for i, pred_coord_i in enumerate(pred_dict["coordinate"]): + ( + best_match_i, + permute_pred_indices_i, + permute_label_indices_i, + pred_dict_i, + log_dict_i, + ) = _correct_symmetric_chains_for_one_sample( + {**pred_dict, "coordinate": pred_coord_i}, + label_full_dict, + max_num_chains, + permute_label=False, + extra_label_keys=[], + **kwargs, + ) + + best_matches.append(best_match_i) + permute_pred_indices.append(permute_pred_indices_i) + permute_label_indices.append(permute_label_indices_i) + pred_coord.append(pred_dict_i["coordinate"]) + for key, value in log_dict_i.items(): + log_dict.setdefault(key, []).append(value) + + output_dict = {"coordinate": torch.stack(pred_coord, dim=0)} + + log_dict = {key: sum(value) / len(value) for key, value in log_dict.items()} + log_dict["N_unique_perm"] = num_unique_matches(best_matches) + + return output_dict, log_dict, permute_pred_indices, permute_label_indices + + +def _correct_symmetric_chains_for_one_sample( + pred_dict: dict, + label_full_dict: dict, + max_num_chains: int = 20, + permute_label: bool = False, + extra_label_keys: list[str] = [], + **kwargs, +): + """ + Correct symmetric chains for a single sample by permuting either the predicted or the ground truth coordinates. + """ + + if not permute_label: + """ + Permutation will act on the predicted coordinate. + In this case, predicted structures and true structure need to have + the same number of atoms. + """ + assert pred_dict["coordinate"].size(-2) == label_full_dict["coordinate"].size( + -2 + ) + + with torch.no_grad(): + # Do not compute gradient while optimizing the permutation + ( + best_match, + permute_pred_indices, + permute_label_indices, + log_dict, + ) = MultiChainPermutation(**kwargs)( + pred_dict=pred_dict, + label_full_dict=label_full_dict, + max_num_chains=max_num_chains, + ) + + if permute_label: + # Permute groundtruth coord and coord mask with indices, along the first dimension. + indices = permute_label_indices.tolist() + output_dict = { + "coordinate": label_full_dict["coordinate"][indices, :], + "coordinate_mask": label_full_dict["coordinate_mask"][indices], + } + # Permute extra label features, along the last dimension. + output_dict.update( + { + k: label_full_dict[k][..., indices] + for k in extra_label_keys + if k in label_full_dict + } + ) + + else: + # Permute the predicted coord with permuted_indices + indices = permute_pred_indices.tolist() + output_dict = { + "coordinate": pred_dict["coordinate"][indices, :], + } + + return ( + best_match, + permute_pred_indices, + permute_label_indices, + output_dict, + log_dict, + ) + + +class MultiChainPermutation(object): + """Anchor-based heuristic method. + Find the best match that maps predicted chains to chains in the true complex. + Here the predicted chains could be cropped, which could be fewer and shorter than + those in the true complex. + """ + + def __init__( + self, use_center_rmsd, find_gt_anchor_first, accept_it_as_it_is, *args, **kwargs + ): + self.use_center_rmsd = use_center_rmsd + self.find_gt_anchor_first = find_gt_anchor_first + self.accept_it_as_it_is = accept_it_as_it_is + + @staticmethod + def dict_of_interested_keys( + input_dict: dict, + keys: list = [ + "mol_id", + "entity_mol_id", + "mol_atom_index", + "pae_rep_atom_mask", + "coordinate", + "coordinate_mask", + "is_ligand", + ], + ): + """ + Extract a subset of keys from the input dictionary from the list `keys`. + """ + + return {k: input_dict[k] for k in keys if k in input_dict} + + def process_input( + self, + pred_dict: dict[str, torch.Tensor], + label_full_dict: dict[str, torch.Tensor], + max_num_chains: int = 20, + ): + """Process the input dicts + + Args: + pred_dict (dict[str, torch.Tensor]): A dictionary containing + entity_mol_id, mol_id, mol_atom_index, pae_rep_atom_mask, coordinate, is_ligand. + All Tensors have shape = [N_cropped_atom] + label_full_dict (dict[str, torch.Tensor]): A dictionary containing + entity_mol_id, mol_id, mol_atom_index, pae_rep_atom_mask, coordinate, coordinate_mask. + All Tensors have shape = [N_atom] + max_num_chains (int): if the number of chains is more than this number, than skip permutation to + avoid expensive computations. + permute_label (bool): if true, permute the groundtruth chains, otherwise premute the prediction chains + """ + + log_dict = {} + + for key in ["entity_mol_id", "mol_id", "mol_atom_index"]: + pred_dict[key] = pred_dict[key].long() + label_full_dict[key] = label_full_dict[key].long() + + # get original unpermuted match + pred_mol_id = set(torch.unique(pred_dict["mol_id"]).tolist()) + label_mol_id = set(torch.unique(label_full_dict["mol_id"]).tolist()) + if pred_mol_id.intersection(label_mol_id) != pred_mol_id: + # if the mol_id in predicted structure is not a subset of label structure, + # assert they contain the same number of atoms. + assert pred_dict["coordinate"].size(-2) == label_full_dict[ + "coordinate" + ].size(-2) + self.unpermuted_match = self.check_pattern_and_create_mapping( + pred_dict["mol_id"], label_full_dict["mol_id"] + ) + else: + self.unpermuted_match = { + i: i for i in torch.unique(pred_dict["mol_id"]).tolist() + } + + if len(torch.unique(label_full_dict["entity_mol_id"])) == len( + torch.unique(label_full_dict["mol_id"]) + ): + # No permutation is needed + has_sym_chain = False + return self.unpermuted_match, has_sym_chain + else: + has_sym_chain = True + + n_label_chain = len(torch.unique(label_full_dict["mol_id"])) + if n_label_chain > 20: + logger.warning(f"The label_full_dict contains {n_label_chain} asym chains.") + + if max_num_chains > 0 and n_label_chain > max_num_chains: + logger.warning( + f"The label_full_dict contains {n_label_chain} asym chains (max_num_chains: {max_num_chains}). Will skip chain permutation and keep the original chain assignment." + ) + return self.unpermuted_match, has_sym_chain + + # parse features to token-level + self.label_token_dict, self.label_asym_dict = self._parse_atom_feature_dict( + self.dict_of_interested_keys(label_full_dict), + rep_atom_mask=label_full_dict["pae_rep_atom_mask"], + ) + self.pred_token_dict, self.pred_asym_dict = self._parse_atom_feature_dict( + self.dict_of_interested_keys(pred_dict), + rep_atom_mask=pred_dict["pae_rep_atom_mask"], + ) + + # get mapping between entity_id and asym_id + self.label_token_dict.update( + self._get_entity_asym_mapping( + self.label_token_dict["entity_mol_id"], self.label_token_dict["mol_id"] + ) + ) + self.pred_token_dict.update( + self._get_entity_asym_mapping( + self.pred_token_dict["entity_mol_id"], self.pred_token_dict["mol_id"] + ) + ) + return None, has_sym_chain + + @staticmethod + def check_pattern_and_create_mapping(mol_id1: torch.Tensor, mol_id2: torch.Tensor): + """ + Check if the patterns between two mol_id tensors match and create a mapping between them. + + Args: + mol_id1 (torch.Tensor): A tensor of mol IDs from the first set. + mol_id2 (torch.Tensor): A tensor of mol IDs from the second set. + + Returns: + dict: A dictionary mapping mol IDs from mol_id1 to mol_id2. + """ + if mol_id1.shape != mol_id2.shape: + raise ValueError("mol_id1 and mol_id2 must have the same shape") + + pattern_mapping = {} + for id1, id2 in zip(mol_id1.tolist(), mol_id2.tolist()): + if id1 in pattern_mapping: + if pattern_mapping[id1] != id2: + raise ValueError( + f"Inconsistent pattern: {id1} mapped to different values in mol_id2" + ) + else: + if id2 in pattern_mapping.values(): + raise ValueError( + f"Value {id2} in mol_id2 already mapped to another value" + ) + pattern_mapping[id1] = id2 + + return pattern_mapping + + def _parse_atom_feature_dict( + self, atom_features: dict, rep_atom_mask: torch.Tensor + ): + """ + Parse the atom feature dictionary and convert it to token features and per-asym token features. + + Args: + atom_features (dict): A dictionary containing atom features. + rep_atom_mask (torch.Tensor): The rep atom mask. + + Returns: + tuple: A tuple containing: + - token_dict (dict): A dictionary containing the token features corresponding to the rep atoms. + - asym_token_dict (dict): A dictionary where keys are asym IDs and values are dictionaries of features corresponding to each asym ID. + """ + + # Atom features --> Token features + token_dict = self._convert_to_token_dict( + atom_dict=atom_features, + rep_atom_mask=rep_atom_mask.bool(), + ) + + # Token features --> per asym token features + asym_token_dict = self._convert_to_per_asym_feature_dict( + asym_id=token_dict["mol_id"], + feature_dict={ + "coordinate": token_dict.get("coordinate"), + "coordinate_mask": token_dict.get("coordinate_mask", None), + "mol_atom_index": token_dict.get("mol_atom_index"), + }, + ) + + return token_dict, asym_token_dict + + @staticmethod + def _convert_to_token_dict( + atom_dict: dict[str, torch.Tensor], rep_atom_mask: torch.Tensor + ) -> dict[str, torch.Tensor]: + """ + Convert the atom feature dictionary to a token feature dictionary based on the rep atom mask. + + Args: + atom_dict (dict[str, torch.Tensor]): A dictionary containing atom features. + rep_atom_mask (torch.Tensor): The rep atom mask. + + Returns: + dict[str, torch.Tensor]: A dictionary containing the token features corresponding to the rep atoms. + """ + + rep_atom_mask = rep_atom_mask.bool() + return {k: v[rep_atom_mask] for k, v in atom_dict.items() if v is not None} + + @staticmethod + def _convert_to_per_asym_feature_dict(asym_id: torch.Tensor, feature_dict: dict): + """ + Convert the feature dictionary to a dictionary where keys are asym IDs and values are dictionaries of features corresponding to each asym ID. + + Args: + asym_id (torch.Tensor): A tensor of asym IDs. + feature_dict (dict): A dictionary containing features for all atoms. + + Returns: + dict: A dictionary where keys are asym IDs and values are dictionaries of features corresponding to each asym. + """ + out = {} + + for aid in torch.unique(asym_id): + mask = asym_id == aid + out[aid.item()] = { + k: v[mask] for k, v in feature_dict.items() if v is not None + } + return out + + @staticmethod + def _get_entity_asym_mapping( + entity_id: torch.Tensor, asym_id: torch.Tensor + ) -> tuple[dict]: + """ + Generate mappings between entity IDs and asym IDs. + + Args: + entity_id (torch.Tensor): A tensor of entity IDs. + asym_id (torch.Tensor): A tensor of asym IDs. + + Returns: + tuple[dict]: A tuple containing two dictionaries: + - entity_to_asym: A dictionary mapping entity IDs to their corresponding asym IDs. + - asym_to_entity: A dictionary mapping asym IDs to their corresponding entity IDs. + """ + + entity_to_asym = {} + asym_to_entity = {} + for ein in torch.unique(entity_id): + ein = ein.item() + asyms = torch.unique(asym_id[entity_id == ein]) + entity_to_asym[ein] = asyms + asym_to_entity.update({a.item(): ein for a in asyms}) + + return {"entity_to_asym": entity_to_asym, "asym_to_entity": asym_to_entity} + + def find_anchor_asym_chain_in_predictions(self) -> tuple[int]: + """ + Find anchor chains in the prediction. + + Ref: AlphaFold3 SI Chapter 4.2. -> AlphaFold Multimer Chapter 7.3.1 + In the alignment phase, we pick a pair of anchor asyms to align, + one in the ground truth and one in the prediction. + The ground truth anchor asym a_gt is chosen to be the least ambiguous possible, + for example in an A3B2 complex an arbitrary B asym is chosen. + In the event of a tie e.g. A2B2 stoichiometry, the longest asym is chosen, + with the hope that in general the longer asyms are likely to have higher confident predictions. + The prediction anchor asym is chosen from the set {a^pred_m} of all prediction asyms + with the same sequence as the ground truth anchor asym. + + Return: + anchor_pred_asym_id (int): selected asym chain. + """ + + # Do not consider asym with fewer than 4 tokens in Prediction + asym_to_asym_length = { + asym_id: len(asym_dict["coordinate"]) + for asym_id, asym_dict in self.pred_asym_dict.items() + } + valid_asyms = [asym_id for asym_id, l in asym_to_asym_length.items() if l >= 4] + + # Do not consider entities with fewer than 4 resolved tokens in GT + valid_entities = [] + for ent, asyms in self.label_token_dict["entity_to_asym"].items(): + if any( + self.label_asym_dict[asym.item()]["coordinate_mask"].sum().item() >= 4 + for asym in asyms + ): + valid_entities.append(ent) + + valid_entity_asym = [ + (ent, asym.item()) + for ent in valid_entities + for asym in self.pred_token_dict["entity_to_asym"][ent] + if asym.item() in valid_asyms + ] + + candidate_entities = set(ent for ent, _ in valid_entity_asym) + + # Find polymer chains in the prediction + pred_polymer_entity_id = [] + for ent_id in candidate_entities: + mask = self.pred_token_dict["entity_mol_id"] == ent_id + is_ligand = self.pred_token_dict["is_ligand"][mask] + if ( + torch.sum(is_ligand) <= is_ligand.shape[0] / 2 + and is_ligand.shape[0] + >= 12 # do not prioritize asym with too few tokens + ): + pred_polymer_entity_id.append(ent_id) + + # Prioritize polymer + if len(pred_polymer_entity_id) > 0: + candidate_entities = pred_polymer_entity_id + + # Choose entities with fewest asyms in GT + entity_to_asym_count = { + k: len(self.label_token_dict["entity_to_asym"][k]) + for k in candidate_entities + } + min_asym_count = min(list(entity_to_asym_count.values())) + candidate_entities = [ + ent + for ent, count in entity_to_asym_count.items() + if count == min_asym_count + ] + + # Choose longest asyms in Prediction + candidate_asyms = [ + asym_id for ent, asym_id in valid_entity_asym if ent in candidate_entities + ] + max_asym_length = max( + asym_to_asym_length[asym_id] for asym_id in candidate_asyms + ) + candidate_asyms = [ + asym_id + for asym_id in candidate_asyms + if asym_to_asym_length[asym_id] == max_asym_length + ] + + # If multiple asym chains remain, return a random one. + anchor_pred_asym_id = random.choice(candidate_asyms) + + return anchor_pred_asym_id + + @staticmethod + def _select_atoms_by_mol_atom_index(input_dict: dict, mol_atom_index: torch.Tensor): + """ + Select atoms from the input dictionary based on the specified mol_atom_index. + + Args: + input_dict (dict): Input dict. + mol_atom_index (torch.Tensor): A tensor of atom indices. + + Returns: + dict: A dictionary containing the selected atom features. + """ + mask = torch.isin(input_dict["mol_atom_index"], mol_atom_index) + out_dict = {k: v[mask] for k, v in input_dict.items()} + assert (out_dict["mol_atom_index"] == mol_atom_index).all() + return out_dict + + def compute_best_match_heuristic(self): + """ + Compute the best chain permutation between prediction and groundtruth. + + + Returns: + dict[int, int]: A dictionary mapping pred chain IDs to those of the groundtruth. + """ + + # Find anchor asym chain in predictions + anchor_pred_asym_id = self.find_anchor_asym_chain_in_predictions() + anchor_entity_id = self.pred_token_dict["asym_to_entity"][anchor_pred_asym_id] + + if self.find_gt_anchor_first: + # Randomly sample a groundtruth asym chain using this entity id + anchor_gt_asym_id = self.label_token_dict["entity_to_asym"][ + anchor_entity_id + ].tolist() + anchor_gt_asym_id = random.choice(anchor_gt_asym_id) + + # The candidate anchors to be matched are from prediction + candidate_anchors = self.pred_token_dict["entity_to_asym"][anchor_entity_id] + else: + + # The candidate anchors to be matched are from groundtruth + candidate_anchors = self.label_token_dict["entity_to_asym"][ + anchor_entity_id + ] + + # Find best match + best_rmsd = torch.inf + best_match = None + + for anchor_k in candidate_anchors: + anchor_k = anchor_k.item() + + if self.find_gt_anchor_first: + gt_anchor, pred_anchor = anchor_gt_asym_id, anchor_k + else: + gt_anchor, pred_anchor = anchor_k, anchor_pred_asym_id + + # Find atoms in GT chain to match atoms in predicted chain (which could be cropped) + gt_anchor_dict = MultiChainPermutation._select_atoms_by_mol_atom_index( + self.label_asym_dict[gt_anchor], + mol_atom_index=self.pred_asym_dict[pred_anchor]["mol_atom_index"], + ) + + # Align GT Anchor to Pred Anchor + mask = gt_anchor_dict["coordinate_mask"].bool() # use GT coordinate_mask + if not mask.any(): + continue + rot, trans = get_optimal_transform( + gt_anchor_dict["coordinate"][mask], + self.pred_asym_dict[pred_anchor]["coordinate"][mask], + ) + + # Transform all GT coordinates according to the aligment results + aligned_coordinate = apply_transform( + self.label_token_dict["coordinate"], rot, trans + ) + for asym_id in self.label_asym_dict: + self.label_asym_dict[asym_id]["aligned_coordinate"] = ( + aligned_coordinate[self.label_token_dict["mol_id"] == asym_id] + ) + + # Greedily matches all remaining chains + matched_asym = {pred_anchor: gt_anchor} + to_be_matched = [k for k in self.pred_asym_dict if k != pred_anchor] + candidate_gt_asym_id = [k for k in self.label_asym_dict if k != gt_anchor] + + # Sort the remaining chains by their length, so that longer chain chooses its match first. + to_be_matched = sorted( + to_be_matched, + key=lambda k: -self.pred_asym_dict[k]["coordinate"].size(-2), + ) + + while len(to_be_matched) > 0: + cur_pred_asym_id = to_be_matched.pop(0) + cur_entity_id = self.pred_token_dict["asym_to_entity"][cur_pred_asym_id] + cur_gt_asym_ids = self.label_token_dict["entity_to_asym"][ + cur_entity_id + ].tolist() + matched_gt_asym_id, _ = self.match_pred_asym_to_gt_asym( + cur_pred_asym_id, + [asym for asym in cur_gt_asym_ids if asym in candidate_gt_asym_id], + ) + matched_asym[cur_pred_asym_id] = matched_gt_asym_id + candidate_gt_asym_id.remove(matched_gt_asym_id) + + assert len(matched_asym) == len(self.pred_asym_dict) + + # Calculate RMSD + total_rmsd = self.calculate_rmsd(matched_asym) + + if total_rmsd < best_rmsd: + best_rmsd = total_rmsd + best_match = matched_asym + + assert best_match is not None + + return best_match + + def calculate_rmsd(self, asym_match: dict): + """ + Calculate the RMSD given a match. + """ + + return sum(self._calculate_rmsd(a, b) for a, b in asym_match.items()) / len( + asym_match + ) + + def _calculate_rmsd(self, pred_asym_id: int, gt_asym_id: int): + """ + Calculate the RMSD between the predicted and ground truth chains, either using the average of the representative atoms or all of them. + + Args: + pred_asym_id (int): The ID of the predicted asymmetric chain. + gt_asym_id (int): The ID of the ground truth asymmetric chain. + + Returns: + float: The calculated RMSD. + """ + + pred_asym_dict = self.pred_asym_dict[pred_asym_id] + label_asym_dict = MultiChainPermutation._select_atoms_by_mol_atom_index( + self.label_asym_dict[gt_asym_id], pred_asym_dict["mol_atom_index"] + ) + mask = label_asym_dict["coordinate_mask"].bool() + if not mask.any(): + return 0.0 + elif self.use_center_rmsd: + return rmsd( + pred_asym_dict["coordinate"][mask].mean(dim=-2, keepdim=True), + label_asym_dict["aligned_coordinate"][mask].mean(dim=-2, keepdim=True), + ).item() + else: + return rmsd( + pred_asym_dict["coordinate"][mask], + label_asym_dict["aligned_coordinate"][mask], + ).item() + + def match_pred_asym_to_gt_asym(self, pred_asym_id: int, gt_asym_ids: list): + """ + Match a predicted chain to the groundtruth chain based on the average of the representative atoms. + + Args: + pred_asym_id (int): The ID of the predicted asymmetric chain. + gt_asym_ids (list[int]): A list or tensor of ground truth asymmetric chain IDs. + + Returns: + tuple: A tuple containing: + - best_gt_asym_id (int): The ID of the best matched ground truth asymmetric chain. + - best_error (float): The distance error between the centers of mass of the best matched chains. + """ + + pred_asym_dict = self.pred_asym_dict[pred_asym_id] + + best_error = torch.inf + best_gt_asym_id = None + unresolved_gt_asym_id = [] + for gt_asym_id in gt_asym_ids: + if isinstance(gt_asym_id, torch.Tensor): + gt_asym_id = gt_asym_id.item() + + # Select cropped atoms by comparing to mol_atom_index in prediction + label_asym_dict = MultiChainPermutation._select_atoms_by_mol_atom_index( + self.label_asym_dict[gt_asym_id], pred_asym_dict["mol_atom_index"] + ) + mask = label_asym_dict["coordinate_mask"].bool() + + if not mask.any(): + # Skip unresolved ones + unresolved_gt_asym_id.append(gt_asym_id) + continue + + gt_center = label_asym_dict["aligned_coordinate"][mask].mean(dim=0) + pred_center = pred_asym_dict["coordinate"][mask].mean(dim=0) + + delta = torch.norm(gt_center - pred_center) + + if delta < best_error: + best_error = delta + best_gt_asym_id = gt_asym_id + + if best_gt_asym_id is None: + # If only unresolved ones remains, return the first one + assert len(unresolved_gt_asym_id) > 0 + best_gt_asym_id, best_error = gt_asym_ids[0], 0 + + return best_gt_asym_id, best_error + + @staticmethod + def build_permuted_indice( + pred_dict: dict, label_full_dict: dict, best_match: dict[int, int] + ): + """ + Build permutation indices from the pred-gt chain mapping. + Args: + pred_dict (dict): A dictionary containing the predicted coordinates. + label_full_dict (dict): A dictionary containing the true coordinates and their masks. + best_match (dict[int, int]): {pred_mol_id: gt_mol_id} best match between pred asym chains and gt asym chains + + Returns: + indices (torch.Tensor): Permutation indices. + """ + + # Get the number of predicted (cropped) atoms + N_pred_atom = pred_dict["mol_id"].size(0) + N_label_atom = label_full_dict["mol_id"].size(0) + indices = pred_dict["mol_id"].new_zeros(size=(N_pred_atom,)) + full_indices = torch.arange(N_label_atom, device=indices.device) + + for pred_asym_id, gt_asym_id in best_match.items(): + # Create a mask for the predicted asym_id + mask = pred_dict["mol_id"] == pred_asym_id + mol_atom_index = pred_dict["mol_atom_index"][mask] + + # Creat a mask for the matched gt asym_id + gt_mask = label_full_dict["mol_id"] == gt_asym_id + # Extract indices according to 'mol_atom_index' + gt_asym_dict = MultiChainPermutation._select_atoms_by_mol_atom_index( + { + "mol_atom_index": label_full_dict["mol_atom_index"][gt_mask], + "indices": full_indices[gt_mask], + }, + mol_atom_index, + ) + indices[mask] = gt_asym_dict["indices"].clone() + + assert len(torch.unique(indices)) == len(indices) + return indices + + @staticmethod + def aligned_rmsd( + pred_dict: dict, + label_full_dict: dict, + indices: torch.Tensor, + reduce: bool = True, + eps: float = 1e-8, + ): + """ + Calculate the global aligned RMSD between predicted and true coordinates. + + Args: + pred_dict (dict): A dictionary containing the predicted coordinates. + label_full_dict (dict): A dictionary containing the true coordinates and their masks. + indices (torch.Tensor): Indices to select from the true coordinates. + reduce (bool): If True, reduce the RMSD over the batch dimension. + eps (float): A small value to avoid division by zero. + + Returns: + float: The aligned RMSD value. + """ + + with torch.cuda.amp.autocast(enabled=False): + aligned_rmsd, _, _, _ = self_aligned_rmsd( + pred_pose=pred_dict["coordinate"].to(torch.float32), + true_pose=label_full_dict["coordinate"][indices, :].to(torch.float32), + atom_mask=label_full_dict["coordinate_mask"][indices], + allowing_reflection=False, + reduce=reduce, + eps=eps, + ) + return aligned_rmsd.item() + + def __call__( + self, + pred_dict: dict[str, torch.Tensor], + label_full_dict: dict[str, torch.Tensor], + max_num_chains: int = 20, + ): + """ + Call function for the class + + Args: + pred_dict (dict): A dictionary containing the predicted coordinates. + label_full_dict (dict): A dictionary containing the groundtruth and its attributes. + max_num_chains (int): Maximum number of chains allowed. + + Returns: + tuple: A tuple containing: + - best_match (dict[int, int]): The best match between predicted and groundtruth chains. + - permute_pred_indices (torch.Tensor or None): Indices to permute the predicted coordinates. + - permuted_indices (torch.Tensor): Indices to permute the groundtruth coordinates. + - log_dict (dict): A dictionary detailing the permutation information. + """ + match, has_sym_chain = self.process_input( + pred_dict, label_full_dict, max_num_chains + ) + + if match is not None: + """ + Either the structure does not contain symmetric chains, or + there are too many chains so that the algorithm gives up. + """ + indices = self.build_permuted_indice(pred_dict, label_full_dict, match) + pred_indices = torch.argsort(indices) + return match, pred_indices, indices, {"has_sym_chain": False} + + # Core step: get best mol_id match + + best_match = self.compute_best_match_heuristic() + + permuted_indices = self.build_permuted_indice( + pred_dict, label_full_dict, best_match + ) + + log_dict = { + "has_sym_chain": True, + "is_permuted": num_unique_matches([best_match, self.unpermuted_match]) > 1, + "algo:no_permute": num_unique_matches([best_match, self.unpermuted_match]) + == 1, + } + + if log_dict["algo:no_permute"]: + # No permutation, return now + pred_indices = torch.argsort(permuted_indices) + return best_match, pred_indices, permuted_indices, log_dict + + # Compare rmsd before/after permutation + unpermuted_indices = self.build_permuted_indice( + pred_dict, label_full_dict, self.unpermuted_match + ) + + permuted_rmsd = self.aligned_rmsd(pred_dict, label_full_dict, permuted_indices) + unpermuted_rmsd = self.aligned_rmsd( + pred_dict, label_full_dict, unpermuted_indices + ) + improved_rmsd = unpermuted_rmsd - permuted_rmsd + if improved_rmsd >= 1e-12: + # Case with better permutation + log_dict.update( + { + "algo:equivalent_permute": False, + "algo:worse_permute": False, + "algo:better_permute": True, + "algo:better_rmsd": improved_rmsd, + } + ) + elif improved_rmsd < 0: + # Case with worse permutation + log_dict.update( + { + "algo:equivalent_permute": False, + "algo:worse_permute": True, + "algo:better_permute": False, + "algo:worse_rmsd": -improved_rmsd, + } + ) + elif not log_dict["algo:no_permute"]: + # Case with equivalent permutation + log_dict.update( + { + "algo:equivalent_permute": True, + "algo:worse_permute": False, + "algo:better_permute": False, + } + ) + else: + # No permutation + log_dict["debug:zero_rmsd"] = improved_rmsd + + # Revert worse/equivalent permute to original chain assignment + if (not self.accept_it_as_it_is) and ( + log_dict["algo:equivalent_permute"] or log_dict["algo:worse_permute"] + ): + # Revert to original chain assignment + best_match = self.unpermuted_match + permuted_indices = unpermuted_indices + log_dict["is_permuted"] = False + + if pred_dict["coordinate"].size(-2) == label_full_dict["coordinate"].size(-2): + Checker.is_permutation(permuted_indices) # indices to permute/crop label + permute_pred_indices = torch.argsort( + permuted_indices + ) # Indices to permute pred + else: + # Hard to `define` permute_pred_indices in this case + permute_pred_indices = None + + return best_match, permute_pred_indices, permuted_indices, log_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/pocket_based_permutation.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/pocket_based_permutation.py new file mode 100644 index 0000000000000000000000000000000000000000..8438b4d61aaee5a423ba3e239948a60dc49c16ee --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/pocket_based_permutation.py @@ -0,0 +1,264 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch + +from protenix.metrics.rmsd import rmsd +from protenix.model.utils import expand_at_dim +from protenix.utils.distributed import traverse_and_aggregate +from protenix.utils.logger import get_logger +from protenix.utils.permutation.chain_permutation.utils import ( + apply_transform, + get_optimal_transform, + num_unique_matches, +) + +logger = get_logger(__name__) + + +def permute_pred_to_optimize_pocket_aligned_rmsd( + pred_coord: torch.Tensor, # [N_sample, N_atom, 3] + true_coord: torch.Tensor, # [N_atom, 3] + true_coord_mask: torch.Tensor, + true_pocket_mask: torch.Tensor, + true_ligand_mask: torch.Tensor, + atom_entity_id: torch.Tensor, # [N_atom] + atom_asym_id: torch.Tensor, # [N_atom] + mol_atom_index: torch.Tensor, # [N_atom] + use_center_rmsd: bool = False, +): + """ + + Returns: + permute_pred_indices (list[torch.Tensor]): A list of LongTensor. + The list contains N_sample elements. + Each elements is a LongTensor of shape = [N_atom]. + permuted_aligned_pred_coord (torch.Tensor): permuted and aligned coordinates of pred_coord. + [N_sample, N_atom, 3] + """ + + log_dict = {} + atom_entity_id = atom_entity_id.long() + atom_asym_id = atom_asym_id.long() + mol_atom_index = mol_atom_index.long() + true_coord_mask = true_coord_mask.bool() + true_pocket_mask = true_pocket_mask.bool() + true_ligand_mask = true_ligand_mask.bool() + assert pred_coord.size(-2) == true_coord.size(-2), "Atom numbers are difference." + assert pred_coord.dim() == 3 + + # find entity_id/asym_id of pocket and ligand chains + def _get_entity_and_asym_id(atom_mask): + + masked_asym_id = atom_asym_id[atom_mask] + masked_entity_id = atom_entity_id[atom_mask] + assert (masked_asym_id[0] == masked_asym_id).all() + assert (masked_entity_id[0] == masked_entity_id).all() + return masked_asym_id[0].item(), masked_entity_id[0].item() + + pocket_asym_id, pocket_entity_id = _get_entity_and_asym_id(true_pocket_mask) + ligand_asym_id, ligand_entity_id = _get_entity_and_asym_id(true_ligand_mask) + + candidate_pockets = {} + for i in torch.unique(atom_asym_id[atom_entity_id == pocket_entity_id]): + i = i.item() + pocket_mask = atom_asym_id == i + pocket_mask = pocket_mask * torch.isin( + mol_atom_index, mol_atom_index[true_pocket_mask] + ) + assert pocket_mask.sum() == true_pocket_mask.sum() + candidate_pockets[i] = pocket_mask.clone() + candidate_ligands = {} + for j in torch.unique(atom_asym_id[atom_entity_id == ligand_entity_id]): + j = j.item() + lig_mask_j = atom_asym_id == j + if lig_mask_j.sum() != true_ligand_mask.sum(): + logger.warning( + f"The ligand selected by 'mol_id' has {lig_mask_j.sum().item()} atoms." + + f"The true ligand selected by 'asym_id' has {true_ligand_mask.sum().item()} atoms." + ) + lig_mask_j = lig_mask_j * torch.isin( + mol_atom_index, mol_atom_index[true_ligand_mask] + ) + assert lig_mask_j.sum() == true_ligand_mask.sum() + candidate_ligands[j] = lig_mask_j + + log_dict["num_sym_pocket"] = len(candidate_pockets) + log_dict["num_sym_ligand"] = len(candidate_ligands) + log_dict["has_sym_chain"] = len(candidate_ligands) + len(candidate_pockets) > 2 + + # Enumerate over the batch dimension of pred_coord + # to find the optimal chain assignment for each sample. + + def _find_protein_ligand_chains_for_one_sample( + coord: torch.Tensor, + ): + best_results = {} + unpermuted_results = {} + for poc_asym_id, pocket_mask in candidate_pockets.items(): + # Align pocket_i to true pocket + rot, trans = get_optimal_transform( + src_atoms=coord[pocket_mask].clone(), + tgt_atoms=true_coord[true_pocket_mask], + mask=true_coord_mask[true_pocket_mask], + ) + # Transform predicted coordinates according to the aligment results + aligned_pred_coord = apply_transform(coord.clone(), rot=rot, trans=trans) + + # Find the best ligand + ordered_lig_asym_ids = [i for i in candidate_ligands] + orderd_lig_masks = [candidate_ligands[i] for i in ordered_lig_asym_ids] + aligned_lig_coords = torch.stack( + [aligned_pred_coord[m] for m in orderd_lig_masks], dim=0 + ) # [N_lig, N_lig_atom, 3] + + if use_center_rmsd: + mask = true_coord_mask[true_ligand_mask].bool() # [N_lig_atom] + aligned_lig_center = aligned_lig_coords[:, mask, :].mean( + dim=-2, keepdim=True + ) # [N_lig, 1, 3] + true_coord_center = true_coord[true_ligand_mask][mask, :].mean( + dim=-2, keepdim=True + ) # [1, 3] + per_lig_rmsd = rmsd( + aligned_lig_center, # [N_lig, 1, 3] + expand_at_dim( + true_coord_center, + dim=0, + n=aligned_lig_coords.size(0), + ), + reduce=False, + ) # [N_lig] + else: + per_lig_rmsd = rmsd( + aligned_lig_coords, + expand_at_dim( + true_coord[true_ligand_mask], + dim=0, + n=aligned_lig_coords.size(0), + ), + mask=true_coord_mask[true_ligand_mask], + reduce=False, + ) # [N_lig] + lig_rmsd, idx = per_lig_rmsd.min(dim=0) + lig_asym_id = ordered_lig_asym_ids[idx] + + if lig_rmsd < best_results.get("rmsd", torch.inf): + best_results = { + "rmsd": lig_rmsd, + "pocket_asym_id": poc_asym_id, + "ligand_asym_id": lig_asym_id, + "aligned_pred_coord": aligned_pred_coord, + } + if poc_asym_id == pocket_asym_id: + # record the unpermuted result + i = ordered_lig_asym_ids.index(ligand_asym_id) + unpermuted_lig_rmsd = per_lig_rmsd[i].item() + unpermuted_results = { + "rmsd": unpermuted_lig_rmsd, + "aligned_pred_coord": aligned_pred_coord, + } + + # record stats + per_sample_log_dict = { + "is_permuted": best_results["pocket_asym_id"] != pocket_asym_id + or best_results["ligand_asym_id"] != ligand_asym_id, + "is_permuted_pocket": best_results["pocket_asym_id"] != pocket_asym_id, + "is_permuted_ligand": best_results["ligand_asym_id"] != ligand_asym_id, + "algo:no_permute": best_results["pocket_asym_id"] == pocket_asym_id + and best_results["ligand_asym_id"] == ligand_asym_id, + } + improved_rmsd = (unpermuted_results["rmsd"] - best_results["rmsd"]).item() + if improved_rmsd >= 1e-12: + # better + per_sample_log_dict.update( + { + "algo:equivalent_permute": False, + "algo:worse_permute": False, + "algo:better_permute": True, + "algo:better_rmsd": improved_rmsd, + } + ) + elif improved_rmsd < 0: + # worse + per_sample_log_dict.update( + { + "algo:equivalent_permute": False, + "algo:worse_permute": True, + "algo:better_permute": False, + "algo:worse_rmsd": -improved_rmsd, + } + ) + elif per_sample_log_dict["is_permuted"]: + # equivalent + per_sample_log_dict.update( + { + "algo:equivalent_permute": True, + "algo:worse_permute": False, + "algo:better_permute": False, + } + ) + # atom indices to permute coordinates + N_atom = aligned_pred_coord.size(-2) + device = aligned_pred_coord.device + atom_indices = torch.arange(N_atom, device=device) + + permute_asym_pair = [ + (best_results["pocket_asym_id"], pocket_asym_id), + (best_results["ligand_asym_id"], ligand_asym_id), + ] + for asym_new, asym_old in permute_asym_pair: + if asym_new == asym_old: + continue + # switch two chains + ori_indices = atom_indices[atom_asym_id == asym_old] + new_indices = atom_indices[atom_asym_id == asym_new] + atom_indices[ori_indices.tolist()] = new_indices.clone() + atom_indices[new_indices.tolist()] = ori_indices.clone() + + aligned_pred_coord = best_results.pop("aligned_pred_coord")[atom_indices, :] + per_sample_log_dict["rmsd"] = best_results["rmsd"].item() + + return atom_indices, aligned_pred_coord, per_sample_log_dict + + N_sample = pred_coord.size(0) + permute_pred_indices = [] + permuted_aligned_pred_coord = [] + sample_log_dicts = [] + for i in range(N_sample): + atom_indices, aligned_pred_coord, per_sample_log_dict = ( + _find_protein_ligand_chains_for_one_sample(pred_coord[i]) + ) + permute_pred_indices.append(atom_indices) + permuted_aligned_pred_coord.append(aligned_pred_coord) + sample_log_dicts.append(per_sample_log_dict) + + permuted_aligned_pred_coord = torch.stack(permuted_aligned_pred_coord, dim=0) + + log_dict.update( + traverse_and_aggregate( + sample_log_dicts, aggregation_func=lambda x_list: sum(x_list) / N_sample + ) + ) + + # rmsd variance + all_sample_rmsd = torch.tensor([x["rmsd"] for x in sample_log_dicts]).float() + log_dict.update( + { + "rmsd_sample_std": all_sample_rmsd.std().item(), + "rmsd_sample_gap": (all_sample_rmsd.max() - all_sample_rmsd.min()).item(), + } + ) + + return permute_pred_indices, permuted_aligned_pred_coord, log_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..1a0308f0c212af2ee44a4953495a9b8524a7a53d --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/chain_permutation/utils.py @@ -0,0 +1,63 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch + +from protenix.metrics.rmsd import align_pred_to_true + + +def get_optimal_transform( + src_atoms: torch.Tensor, + tgt_atoms: torch.Tensor, + mask: torch.Tensor = None, +) -> tuple[torch.Tensor]: + """ + A function that obtain the transformation that optimally align + src_atoms to tgt_atoms. + + Args: + src_atoms: ground-truth centre atom positions, shape: [N, 3] + tgt_atoms: predicted centre atom positions, shape: [N, 3] + mask: a vector of boolean values, shape: [N] + + Returns: + tuple[torch.Tensor]: A rotation matrix that records the optimal rotation + that will best align src_atoms to tgt_atoms. + A tanslation matrix records how the atoms should be shifted after applying r. + """ + assert src_atoms.shape == tgt_atoms.shape, (src_atoms.shape, tgt_atoms.shape) + assert src_atoms.shape[-1] == 3 + if mask is not None: + mask = mask.bool() + assert mask.dim() == 1, "mask should have the shape of [N]" + assert mask.shape[-1] == src_atoms.shape[-2] + src_atoms = src_atoms[mask, :] + tgt_atoms = tgt_atoms[mask, :] + + with torch.cuda.amp.autocast(enabled=False): + _, rot, trans = align_pred_to_true( + pred_pose=src_atoms.to(dtype=torch.float32), + true_pose=tgt_atoms.to(dtype=torch.float32), + allowing_reflection=False, + ) # svd alignment does not support BF16 + + return rot, trans + + +def apply_transform(pose, rot, trans): + return torch.matmul(pose, rot.transpose(-1, -2)) + trans + + +def num_unique_matches(match_list: list[dict]): + return len({tuple(sorted(match.items())) for match in match_list}) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/permutation.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/permutation.py new file mode 100644 index 0000000000000000000000000000000000000000..db6ea77b9fd362056ba56896cf8fe9ea3436b86a --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/permutation.py @@ -0,0 +1,481 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os + +import torch + +from protenix.utils.permutation import atom_permutation, chain_permutation + + +class SymmetricPermutation(object): + """ + A symmetric permutation class for chain and atom permutations. + + Attributes: + configs: Configuration settings for the permutation process. + error_dir (str, optional): Directory to save error data. Defaults to None. + """ + + def __init__(self, configs, error_dir: str = None): + self.configs = configs + if error_dir is not None: + self.chain_error_dir = os.path.join(error_dir, "chain_permutation") + self.atom_error_dir = os.path.join(error_dir, "atom_permutation") + else: + self.chain_error_dir = None + self.atom_error_dir = None + + def permute_label_to_match_mini_rollout( + self, + mini_coord: torch.Tensor, + input_feature_dict: dict, + label_dict: dict, + label_full_dict: dict, + ): + """ + Apply permutation to label structure to match the predicted structure. + This is mainly used to align label structure to the mini-rollout structure during training. + + Args: + mini_coord (torch.Tensor): Coordinates of the predicted mini-rollout structure. + input_feature_dict (dict): Input feature dictionary. + label_dict (dict): Label dictionary. + label_full_dict (dict): Full label dictionary. + """ + + assert mini_coord.dim() == 3 + + log_dict = {} + # 1. ChainPermutation: permute ground-truth chains to match mini-rollout prediction + permuted_label_dict, chain_perm_log_dict, _, _ = chain_permutation.run( + mini_coord[0], # Only accepts a single structure + input_feature_dict, + label_full_dict, + permute_label=True, + error_dir=self.chain_error_dir, + **self.configs.chain_permutation.configs, + ) + if self.configs.chain_permutation.train.mini_rollout: + label_dict.update(permuted_label_dict) + log_dict.update( + { + f"minirollout_perm/Chain-{k}": v + for k, v in chain_perm_log_dict.items() + } + ) + else: + # Log only, not update the label_dict + log_dict.update( + { + f"minirollout_perm/Chain.F-{k}": v + for k, v in chain_perm_log_dict.items() + } + ) + + # 2. AtomPermutation: permute ground-truth atoms to match mini-rollout prediction + permuted_label_dict, atom_perm_log_dict, _ = atom_permutation.run( + pred_coord=mini_coord[0], + true_coord=label_dict["coordinate"], + true_coord_mask=label_dict["coordinate_mask"], + ref_space_uid=input_feature_dict["ref_space_uid"], + atom_perm_list=input_feature_dict["atom_perm_list"], + permute_label=True, + error_dir=self.atom_error_dir, + global_align_wo_symmetric_atom=self.configs.atom_permutation.global_align_wo_symmetric_atom, + ) + + if self.configs.atom_permutation.train.mini_rollout: + label_dict.update(permuted_label_dict) + log_dict.update( + {f"minirollout_perm/Atom-{k}": v for k, v in atom_perm_log_dict.items()} + ) + else: + # Log only, not update the label_dict + log_dict.update( + { + f"minirollout_perm/Atom.F-{k}": v + for k, v in atom_perm_log_dict.items() + } + ) + + return label_dict, log_dict + + def permute_diffusion_sample_to_match_label( + self, + input_feature_dict: dict, + pred_dict: dict, + label_dict: dict, + stage: str, + permute_by_pocket: bool = False, + ): + """ + Apply per-sample permutation to predicted structures to correct symmetries. + Permutations are performed independently for each diffusion sample. + + Args: + input_feature_dict (dict): Input feature dictionary. + pred_dict (dict): Prediction dictionary. + label_dict (dict): Label dictionary. + stage (str): Current stage of the diffusion process, in ['train', 'test']. + permute_by_pocket (bool): Whether to permute by pocket (for PoseBusters dataset). Defaults to False. + """ + + assert pred_dict["coordinate"].size(-2) == label_dict["coordinate"].size( + -2 + ), "Cannot perform per-sample permutation on predicted structures if the label structure has more atoms." + + log_dict = {} + permute_pred_indices, permute_label_indices = [], [] + if ( + stage != "train" + ): # During training stage, the label_dict is cropped after mini-rollout permutation. + # In this case, chain permutation is not handled. + + # ChainPermutation: permute predicted chains to match label structure. + + ( + permuted_pred_dict, + chain_perm_log_dict, + permute_pred_indices, + _, + ) = chain_permutation.run( + pred_dict["coordinate"], + input_feature_dict, + label_full_dict=label_dict, + max_num_chains=-1, + permute_label=False, + permute_by_pocket=permute_by_pocket + and self.configs.chain_permutation.permute_by_pocket, + error_dir=self.chain_error_dir, + **self.configs.chain_permutation.configs, + ) + if self.configs.chain_permutation.get(stage).diffusion_sample: + pred_dict.update(permuted_pred_dict) + log_dict.update( + { + f"sample_perm/Chain-{k}": v + for k, v in chain_perm_log_dict.items() + } + ) + else: + # Log only, not update the pred_dict. + log_dict.update( + { + f"sample_perm/Chain.F-{k}": v + for k, v in chain_perm_log_dict.items() + } + ) + + # AtomPermutation: permute predicted atoms to match label structure. + # Permutations are performed independently for each diffusion sample. + if permute_by_pocket and self.configs.atom_permutation.permute_by_pocket: + if label_dict["pocket_mask"].dim() == 2: + # the 0-the pocket is assumed to be the `main` pocket + pocket_mask = label_dict["pocket_mask"][0] + ligand_mask = label_dict["interested_ligand_mask"][0] + else: + pocket_mask = label_dict["pocket_mask"] + ligand_mask = label_dict["interested_ligand_mask"] + chain_mask = self.get_chain_mask_from_atom_mask( + pocket_mask + ligand_mask, + atom_to_token_idx=input_feature_dict["atom_to_token_idx"], + token_asym_id=input_feature_dict["asym_id"], + ) + alignment_mask = pocket_mask + else: + chain_mask = 1 + alignment_mask = None + + permuted_pred_dict, atom_perm_log_dict, atom_perm_pred_indices = ( + atom_permutation.run( + pred_coord=pred_dict["coordinate"], + true_coord=label_dict["coordinate"], + true_coord_mask=label_dict["coordinate_mask"] * chain_mask, + ref_space_uid=input_feature_dict["ref_space_uid"], + atom_perm_list=input_feature_dict["atom_perm_list"], + permute_label=False, + alignment_mask=alignment_mask, + error_dir=self.atom_error_dir, + global_align_wo_symmetric_atom=self.configs.atom_permutation.global_align_wo_symmetric_atom, + ) + ) + if permute_pred_indices: + # Update `permute_pred_indices' according to the results of atom permutation + updated_permute_pred_indices = [] + assert len(permute_pred_indices) == len(atom_perm_pred_indices) + for chain_perm_indices, atom_perm_indices in zip( + permute_pred_indices, atom_perm_pred_indices + ): + updated_permute_pred_indices.append( + chain_perm_indices[atom_perm_indices] + ) + permute_pred_indices = updated_permute_pred_indices + elif atom_perm_pred_indices is not None: + permute_pred_indices = [ + atom_perm_indices for atom_perm_indices in atom_perm_pred_indices + ] + + if self.configs.atom_permutation.get(stage).diffusion_sample: + pred_dict.update(permuted_pred_dict) + log_dict.update( + {f"sample_perm/Atom-{k}": v for k, v in atom_perm_log_dict.items()} + ) + else: + # Log only, not update the pred_dict. + log_dict.update( + {f"sample_perm/Atom.F-{k}": v for k, v in atom_perm_log_dict.items()} + ) + + return pred_dict, log_dict, permute_pred_indices, permute_label_indices + + @staticmethod + def get_chain_mask_from_atom_mask( + atom_mask: torch.Tensor, + atom_to_token_idx: torch.Tensor, + token_asym_id: torch.Tensor, + ): + """ + Generate a chain mask from an atom mask. + + This method maps atoms to their corresponding token indices and then to their asym IDs. It then filters these asym IDs based on the atom mask and returns a mask indicating which atoms belong to the filtered chains. + + Args: + atom_mask (torch.Tensor): A boolean atom mask. Shape: [N_atom]. + atom_to_token_idx (torch.Tensor): A tensor mapping each atom to its corresponding token index. Shape: [N_atom]. + token_asym_id (torch.Tensor): A tensor containing the asym ID for each token. Shape: [N_token]. + + Returns: + torch.Tensor: Chain mask. Shape: [N_atom]. + + """ + + atom_asym_id = token_asym_id[atom_to_token_idx.long()].long() + assert atom_asym_id.size(0) == atom_mask.size(0) + masked_asym_id = torch.unique(atom_asym_id[atom_mask.bool()]) + return torch.isin(atom_asym_id, masked_asym_id) + + @staticmethod + def get_asym_id_match( + permute_indices: torch.Tensor, + atom_to_token_idx: torch.Tensor, + token_asym_id: torch.Tensor, + ) -> dict[int, int]: + """Function to match asym IDs between original and permuted structure. + + Args: + permute_indices (torch.Tensor): indices that specify the permuted ordering of atoms. + [N_atom] + atom_to_token_idx (torch.Tensor): each entry maps an atom to its corresponding token index. + [N_atom] + token_asym_id (torch.Tensor): contains the asym ID for each token. + [N_token] + Returns: + asym_id_match (Dict[int]) + A dictionary where the key is the original asym ID and the value is the permuted asym ID. + """ + token_asym_id = token_asym_id.long() + atom_to_token_idx = atom_to_token_idx.long() + + # Get the asym IDs for the original atoms + original_atom_asym_id = token_asym_id[atom_to_token_idx] + + # Permute these IDs using the provided indices + permuted_atom_asym_id = original_atom_asym_id[permute_indices] + unique_asym_ids = torch.unique(original_atom_asym_id) + + asym_id_match = {} + for ori_aid in unique_asym_ids: + ori_aid = ori_aid.item() + asym_mask = original_atom_asym_id == ori_aid + perm_aid = permuted_atom_asym_id[asym_mask] + + assert ( + len(torch.unique(perm_aid)) == 1 + ), "Permuted asym ID must be unique for each original ID." + + asym_id_match[ori_aid] = perm_aid[0].item() + + return asym_id_match + + @staticmethod + def permute_summary_confidence( + summary_confidence_list: list[dict], + permute_pred_indices: list[torch.Tensor], # [N_atom] + atom_to_token_idx: torch.Tensor, # [N_atom] + token_asym_id: torch.Tensor, # [N_token] + chain_keys: list[str] = ["chain_ptm", "chain_iptm", "chain_plddt"], + chain_pair_keys: list[str] = [ + "chain_pair_iptm", + "chain_pair_iptm_global", + "chain_pair_plddt", + ], + ): + """ + Permute summary confidence based on predicted indices. + + Args: + summary_confidence_list (list[dict]): List of summary confidence dictionaries. + permute_pred_indices (list[torch.Tensor]): List of predicted indices for permutation. + atom_to_token_idx (torch.Tensor): Mapping from atoms to token indices. + token_asym_id (torch.Tensor): Asym ID for each token. + chain_keys (list[str], optional): Keys for chain-level confidence metrics. Defaults to ["chain_ptm", "chain_iptm", "chain_plddt"]. + chain_pair_keys (list[str], optional): Keys for chain pair-level confidence metrics. Defaults to ["chain_pair_iptm", "chain_pair_iptm_global", "chain_pair_plddt"]. + """ + + assert len(summary_confidence_list) == len(permute_pred_indices) + + def _permute_one_sample(summary_confidence, permute_indices): + # asym_id_match : {ori_asym_id: permuted_asym_id} + asym_id_match = SymmetricPermutation.get_asym_id_match( + permute_indices=permute_indices, + atom_to_token_idx=atom_to_token_idx, + token_asym_id=token_asym_id, + ) + id_indices = torch.arange(len(asym_id_match), device=permute_indices.device) + for i, j in asym_id_match.items(): + id_indices[j] = i + + # fix chain_id (asym_id) in summary_confidence + for key in chain_keys: + assert summary_confidence[key].dim() == 1 + summary_confidence[key] = summary_confidence[key][id_indices] + for key in chain_pair_keys: + assert summary_confidence[key].dim() == 2 + summary_confidence[key] = summary_confidence[key][:, id_indices] + summary_confidence[key] = summary_confidence[key][id_indices, :] + return summary_confidence, asym_id_match + + asym_id_match_list = [] + permuted_summary_confidence_list = [] + for i, (summary_confidence, perm_indices) in enumerate( + zip(summary_confidence_list, permute_pred_indices) + ): + summary_confidence, asym_id_match = _permute_one_sample( + summary_confidence, perm_indices + ) + permuted_summary_confidence_list.append(summary_confidence) + asym_id_match_list.append(asym_id_match) + + return permuted_summary_confidence_list, asym_id_match_list + + def permute_heads( + self, + pred_dict: dict, + permute_pred_indices: list, + atom_to_token_idx: torch.Tensor, + rep_atom_mask: torch.Tensor, + ): + """ + Permute heads based on predicted indices. + + + Args: + pred_dict (dict): A dictionary containing the predicted components. + permute_pred_indices (list): A list of tensors, each containing the predicted indices for the permutation of a diffusion sample. + atom_to_token_idx (torch.Tensor): A tensor mapping each atom to its corresponding token index. Shape: [N_atom]. + rep_atom_mask (torch.Tensor): A boolean mask indicating which atoms are representative. Shape: [N_atom]. + + Returns: + dict: The updated `pred_dict` + """ + + for i, perm_indices in enumerate(permute_pred_indices): + # permute atoms at dim=-2 + for key in ["plddt", "resolved"]: + if key in pred_dict: + assert pred_dict[key].size(-2) == len(perm_indices) + pred_dict[key][..., i, :, :] = pred_dict[key][ + ..., i, perm_indices, : + ] + + # permute tokens at dim=-2 and -3 + perm_atom_to_token_idx = atom_to_token_idx[perm_indices] + perm_rep_atom_mask = rep_atom_mask[perm_indices] + perm_token_indices = perm_atom_to_token_idx[perm_rep_atom_mask] + for key in ["pae", "pde"]: + if key in pred_dict: + assert ( + pred_dict[key].size(-2) + == pred_dict[key].size(-3) + == len(perm_token_indices) + ) + pred_dict[key] = pred_dict[key].to(perm_token_indices.device) + assert pred_dict[key].device == perm_token_indices.device + pred_dict[key][..., i, :, :, :] = pred_dict[key][ + ..., i, perm_token_indices, :, : + ] + pred_dict[key][..., i, :, :, :] = pred_dict[key][ + ..., i, :, perm_token_indices, : + ] + + # contact_probs + if "contact_probs" in pred_dict: + contact_probs_i = pred_dict["contact_probs"].clone() + assert ( + contact_probs_i.size(-1) + == contact_probs_i.size(-2) + == len(perm_token_indices) + ) + contact_probs_i = contact_probs_i[..., perm_token_indices, :][ + ..., perm_token_indices + ] # [N_token, N_token] + pred_dict.setdefault("per_sample_contact_probs", []).append( + contact_probs_i + ) + + if "per_sample_contact_probs" in pred_dict: + pred_dict["per_sample_contact_probs"] = torch.stack( + pred_dict["per_sample_contact_probs"], dim=0 + ) # [N_sample, N_token, N_token] + + return pred_dict + + def permute_inference_pred_dict( + self, + input_feature_dict: dict, + pred_dict: dict, + label_dict: dict, + permute_by_pocket: bool = False, + ): + """ + Permute predicted coordinates during inference. + + Args: + input_feature_dict (dict): Input features dictionary. + pred_dict (dict): Predicted dictionary. + label_dict (dict): Label dictionary. + permute_by_pocket (bool, optional): Whether to permute by pocket. Defaults to False. + """ + # 1. Permute predicted coordinates + pred_dict, log_dict, permute_pred_indices, _ = ( + self.permute_diffusion_sample_to_match_label( + input_feature_dict, + pred_dict=pred_dict, + label_dict=label_dict, + stage="test", + permute_by_pocket=permute_by_pocket, + ) + ) + + if permute_pred_indices: + # 2. Permute confidence logits + pred_dict = self.permute_heads( + pred_dict, + permute_pred_indices=permute_pred_indices, + atom_to_token_idx=input_feature_dict["atom_to_token_idx"], + rep_atom_mask=input_feature_dict["pae_rep_atom_mask"].bool(), + ) + + return pred_dict, log_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/utils.py new file mode 100644 index 0000000000000000000000000000000000000000..303860447c6b61e5951fea30c4305dca52bc6038 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/permutation/utils.py @@ -0,0 +1,139 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os +import time + +import torch + + +class Checker: + + @staticmethod + def is_permutation(x: torch.Tensor): + """ + Checks if the input tensor `x` is a permutation of integers from 0 to N-1. + + Args: + x (torch.Tensor): A 1D tensor of size [N]. + """ + assert x.dim() == 1 + N = x.size(0) + assert torch.equal(torch.sort(x)[0], torch.arange(N, device=x.device)) + + @staticmethod + def are_permutations(x: torch.Tensor, dim=-1): + """ + Checks if slices along the specified dimension in `x` are permutations of integers from 0 to N-1. + + Args: + x (torch.Tensor): A tensor with any number of dimensions, containing slices of size N along `dim`. + dim (int, optional): The dimension along which to check for permutations. Defaults to -1. + """ + assert x.dim() > 0 + + N = x.size(dim) + # Create a view of x that moves the specified dimension to -1 + x = x.transpose(dim, -1).contiguous() + x = x.reshape(-1, N) + expected = torch.arange(N, device=x.device) + for i in range(x.size(0)): + Checker.is_permutation(x[i]) + + @staticmethod + def contains_identity(x: torch.Tensor, dim=-1): + """ + Check if x contains the identity permutation + + Args: + x (torch.Tensor): A tensor with any number of dimensions, containing slices of size N along `dim`. + dim (int, optional): The dimension along which to check for permutations. Defaults to -1. + """ + assert x.dim() > 0 + + N = x.size(dim) + # Create a view of x that moves the specified dimension to -1 + x = x.transpose(dim, -1).contiguous() + x = x.reshape(-1, N) + expected = torch.arange(N, device=x.device).unsqueeze(dim=0) + assert (x == expected).all(dim=-1).any() + + @staticmethod + def not_contain_identity(x: torch.Tensor, dim=-1): + """ + Check if x does not contain the identity permutation + + Args: + x (torch.Tensor): A tensor with any number of dimensions, containing slices of size N along `dim`. + dim (int, optional): The dimension along which to check for permutations. Defaults to -1. + """ + assert x.dim() > 0 + + N = x.size(dim) + # Create a view of x that moves the specified dimension to -1 + x = x.transpose(dim, -1).contiguous() + x = x.reshape(-1, N) + expected = torch.arange(N, device=x.device).unsqueeze(dim=0) + assert not (x == expected).all(dim=-1).any() + + @staticmethod + def batch_permute(perm: torch.Tensor, x: torch.Tensor, x_permuted: torch.Tensor): + """ + Args: + perm (torch.Tensor): + [..., N] + x (torch.Tensor): + [N, batch_dims_x] + x_permuted (torch.Tensor): + [..., N, batch_dims_x] + """ + batch_shape = perm.shape[:-1] + N = perm.size(-1) + assert x.size(0) == N + perm = perm.view(-1, N) + permuted_x = [x[perm[i]] for i in range(len(perm))] + permuted_x = torch.stack(permuted_x, dim=0) # [-1, N, batch_dims_x] + target_shape = batch_shape + (N,) + x.shape[1:] + assert torch.allclose(permuted_x.reshape(target_shape), x_permuted) + + +def save_permutation_error(data, error_dir: str = None, max_cases: int = 50): + """ + Saves the permutation error data to a specified directory. + + Args: + data: The data to be saved. + error_dir (str): The directory where the error data should be saved. + max_cases (int): The maximum number of error cases to save. + + Raises: + Exception: If an error occurs while saving the data, the exception is caught and printed. + """ + if error_dir is None: + return + + # error_dir = os.path.join(self.error_dir, dir_name) + os.makedirs(error_dir, exist_ok=True) + + if len(os.listdir(error_dir)) >= max_cases: + # Only record the first {max_cases} error cases for debug + return + + filename = "T_" + time.strftime("%Y%m%d_%H%M%S") + ".pt" + fpath = os.path.join(error_dir, filename) + if not os.path.exists(fpath): + try: + torch.save(data, fpath) + except Exception as e: + print(f"Exception occurrs in save_permutation_error: {e}") diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/scatter_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/scatter_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..11c19c598a65713a4ae71aad8ef76578b9d1ed85 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/scatter_utils.py @@ -0,0 +1,201 @@ +# from torch_scatter: https://github.com/rusty1s/pytorch_scatter/tree/master + +from typing import Optional + +import torch + + +def broadcast(src: torch.Tensor, other: torch.Tensor, dim: int) -> torch.Tensor: + if dim < 0: + dim = other.dim() + dim + if src.dim() == 1: + for _ in range(0, dim): + src = src.unsqueeze(0) + for _ in range(src.dim(), other.dim()): + src = src.unsqueeze(-1) + src = src.expand(other.size()) + return src + + +def scatter_sum( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, +) -> torch.Tensor: + index = broadcast(index, src, dim) + if out is None: + size = list(src.size()) + if dim_size is not None: + size[dim] = dim_size + elif index.numel() == 0: + size[dim] = 0 + else: + size[dim] = int(index.max()) + 1 + out = torch.zeros(size, dtype=src.dtype, device=src.device) + return out.scatter_add_(dim, index, src) + else: + return out.scatter_add_(dim, index, src) + + +def scatter_add( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, +) -> torch.Tensor: + return scatter_sum(src, index, dim, out, dim_size) + + +def scatter_mul( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, +) -> torch.Tensor: + return torch.ops.torch_scatter.scatter_mul(src, index, dim, out, dim_size) + + +def scatter_mean( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, +) -> torch.Tensor: + out = scatter_sum(src, index, dim, out, dim_size) + dim_size = out.size(dim) + + index_dim = dim + if index_dim < 0: + index_dim = index_dim + src.dim() + if index.dim() <= index_dim: + index_dim = index.dim() - 1 + + ones = torch.ones(index.size(), dtype=src.dtype, device=src.device) + count = scatter_sum(ones, index, index_dim, None, dim_size) + count[count < 1] = 1 + count = broadcast(count, out, dim) + if out.is_floating_point(): + out.true_divide_(count) + else: + out.div_(count, rounding_mode="floor") + return out + + +def scatter_min( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, +) -> tuple[torch.Tensor, torch.Tensor]: + return torch.ops.torch_scatter.scatter_min(src, index, dim, out, dim_size) + + +def scatter_max( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, +) -> tuple[torch.Tensor, torch.Tensor]: + return torch.ops.torch_scatter.scatter_max(src, index, dim, out, dim_size) + + +def scatter( + src: torch.Tensor, + index: torch.Tensor, + dim: int = -1, + out: Optional[torch.Tensor] = None, + dim_size: Optional[int] = None, + reduce: str = "sum", +) -> torch.Tensor: + r""" + | + + .. image:: https://raw.githubusercontent.com/rusty1s/pytorch_scatter/ + master/docs/source/_figures/add.svg?sanitize=true + :align: center + :width: 400px + + | + + Reduces all values from the :attr:`src` tensor into :attr:`out` at the + indices specified in the :attr:`index` tensor along a given axis + :attr:`dim`. + For each value in :attr:`src`, its output index is specified by its index + in :attr:`src` for dimensions outside of :attr:`dim` and by the + corresponding value in :attr:`index` for dimension :attr:`dim`. + The applied reduction is defined via the :attr:`reduce` argument. + + Formally, if :attr:`src` and :attr:`index` are :math:`n`-dimensional + tensors with size :math:`(x_0, ..., x_{i-1}, x_i, x_{i+1}, ..., x_{n-1})` + and :attr:`dim` = `i`, then :attr:`out` must be an :math:`n`-dimensional + tensor with size :math:`(x_0, ..., x_{i-1}, y, x_{i+1}, ..., x_{n-1})`. + Moreover, the values of :attr:`index` must be between :math:`0` and + :math:`y - 1`, although no specific ordering of indices is required. + The :attr:`index` tensor supports broadcasting in case its dimensions do + not match with :attr:`src`. + + For one-dimensional tensors with :obj:`reduce="sum"`, the operation + computes + + .. math:: + \mathrm{out}_i = \mathrm{out}_i + \sum_j~\mathrm{src}_j + + where :math:`\sum_j` is over :math:`j` such that + :math:`\mathrm{index}_j = i`. + + .. note:: + + This operation is implemented via atomic operations on the GPU and is + therefore **non-deterministic** since the order of parallel operations + to the same value is undetermined. + For floating-point variables, this results in a source of variance in + the result. + + :param src: The source tensor. + :param index: The indices of elements to scatter. + :param dim: The axis along which to index. (default: :obj:`-1`) + :param out: The destination tensor. + :param dim_size: If :attr:`out` is not given, automatically create output + with size :attr:`dim_size` at dimension :attr:`dim`. + If :attr:`dim_size` is not given, a minimal sized output tensor + according to :obj:`index.max() + 1` is returned. + :param reduce: The reduce operation (:obj:`"sum"`, :obj:`"mul"`, + :obj:`"mean"`, :obj:`"min"` or :obj:`"max"`). (default: :obj:`"sum"`) + + :rtype: :class:`Tensor` + + .. code-block:: python + + from torch_scatter import scatter + + src = torch.randn(10, 6, 64) + index = torch.tensor([0, 1, 0, 1, 2, 1]) + + # Broadcasting in the first and last dim. + out = scatter(src, index, dim=1, reduce="sum") + + print(out.size()) + + .. code-block:: + + torch.Size([10, 3, 64]) + """ + if reduce == "sum" or reduce == "add": + return scatter_sum(src, index, dim, out, dim_size) + if reduce == "mul": + return scatter_mul(src, index, dim, out, dim_size) + elif reduce == "mean": + return scatter_mean(src, index, dim, out, dim_size) + elif reduce == "min": + return scatter_min(src, index, dim, out, dim_size)[0] + elif reduce == "max": + return scatter_max(src, index, dim, out, dim_size)[0] + else: + raise ValueError diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/seed.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/seed.py new file mode 100644 index 0000000000000000000000000000000000000000..319c29b1269c336abae49c75f7148b1acafbdcc8 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/seed.py @@ -0,0 +1,34 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os +import random + +import numpy as np +import torch + + +def seed_everything(seed, deterministic): + random.seed(seed) + np.random.seed(seed) + torch.random.manual_seed(seed) + torch.cuda.manual_seed_all(seed) + if deterministic: + torch.backends.cudnn.benchmark = False + # torch.backends.cudnn.deterministic=True applies to CUDA convolution operations, and nothing else. + torch.backends.cudnn.deterministic = True + # torch.use_deterministic_algorithms(True) affects all the normally-nondeterministic operations listed here https://pytorch.org/docs/stable/generated/torch.use_deterministic_algorithms.html?highlight=use_deterministic#torch.use_deterministic_algorithms + torch.use_deterministic_algorithms(True) + # https://docs.nvidia.com/cuda/cublas/index.html#cublasApi_reproducibility + os.environ["CUBLAS_WORKSPACE_CONFIG"] = ":4096:8" diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/torch_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/torch_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..d0982da6702a7dc512b6b96f1b2fdda75ca35e5b --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/torch_utils.py @@ -0,0 +1,154 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from contextlib import nullcontext +from typing import Sequence, Union + +import numpy as np +import torch +from torch import nn +from torch.nn.parameter import Parameter + + +def to_device(obj, device): + """Move tensor or dict of tensors to device""" + if isinstance(obj, dict): + for k, v in obj.items(): + if isinstance(v, dict): + to_device(v, device) + elif isinstance(v, torch.Tensor): + obj[k] = obj[k].to(device) + elif isinstance(obj, torch.Tensor): + obj = obj.to(device) + else: + raise Exception(f"type {type(obj)} not supported") + return obj + + +def cdist(a: torch.Tensor, b: torch.Tensor = None): + # for tensor shape [1, 512 * 14, 3], donot_use_mm_for_euclid_dist mode costs 0.0489s, + # while use_mm_for_euclid_dist_if_necessary costs 0.0419s on cpu. On GPU there two costs + # will be neglectible. So there is no need to sacrifice accuracy for speed here. + return torch.cdist( + a, + b if b is not None else a, + compute_mode="donot_use_mm_for_euclid_dist", + ) + + +def map_values_to_list(data: dict, recursive: bool = True) -> dict: + """ + Convert values in a dictionary to lists. + + Args: + data (dict): The dictionary whose values need to be converted. + recursive (bool): Whether to recursively convert nested dictionaries. Defaults to True. + + Returns: + dict: The dictionary with values converted to lists. + """ + for k, v in data.items(): + if isinstance(v, torch.Tensor): + if v.dtype == torch.bfloat16: + v = v.float() + data[k] = v.cpu().numpy().tolist() + elif isinstance(v, np.ndarray): + data[k] = v.tolist() + elif isinstance(v, dict) and recursive: + data[k] = map_values_to_list(v, recursive) + return data + + +def round_values(data: dict, recursive: bool = True) -> dict: + """ + Round the values in a dictionary to two decimal places. + + Args: + data (dict): The dictionary whose values need to be rounded. + recursive (bool): Whether to recursively round values in nested dictionaries. Defaults to True. + + Returns: + dict: The dictionary with values rounded to two decimal places. + """ + for k, v in data.items(): + if isinstance(v, torch.Tensor): + if v.dtype == torch.bfloat16: + v = v.float() + data[k] = np.round(v.cpu().numpy(), 2) + elif isinstance(v, np.ndarray): + data[k] = np.round(v, 2) + elif isinstance(v, list): + data[k] = list(np.round(np.array(v), 2)) + elif isinstance(v, dict) and recursive: + data[k] = round_values(v, recursive) + return data + + +def autocasting_disable_decorator(disable_casting: bool): + """ + Decorator to disable autocasting for a function. + + Args: + disable_casting (bool): If True, disables autocasting; otherwise, uses the default autocasting context. + + Returns: + function: A decorator that wraps the function with the specified autocasting context. + """ + + def func_wrapper(func): + def new_func(*args, **kwargs): + _amp_context = ( + torch.autocast(device_type="cuda", enabled=False) + if disable_casting + else nullcontext() + ) + dtype = torch.float32 if disable_casting else None + with _amp_context: + return func( + *( + v.to(dtype=dtype) if isinstance(v, torch.Tensor) else v + for v in args + ), + **{ + k: v.to(dtype=dtype) if isinstance(v, torch.Tensor) else v + for k, v in kwargs.items() + }, + ) + + return new_func + + return func_wrapper + + +def dict_to_tensor(feature_dict: dict) -> dict: + """ + Convert values in a dictionary to tensors and ensure they have the correct dtype. + + Args: + feature_dict (dict): The dictionary whose values need to be converted to tensors. + + Returns: + dict: The dictionary with values converted to tensors and adjusted to the correct dtype. + """ + for k, v in feature_dict.items(): + if not isinstance(v, torch.Tensor): + dtype = feature_dict[k].dtype + feature_dict[k] = torch.tensor(v) + + if dtype in [np.int64, np.int32]: + feature_dict[k] = feature_dict[k].to(torch.int64) + elif dtype in [np.float32, np.float64]: + feature_dict[k] = feature_dict[k].to(torch.float32) + + return feature_dict diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/training.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/training.py new file mode 100644 index 0000000000000000000000000000000000000000..7c11ed07fff6216799f70507261fac6710e12774 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/utils/training.py @@ -0,0 +1,118 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import inspect + +import torch +import torch.distributed as dist + + +def get_adamw( + model: torch.nn.Module, + weight_decay: float, + learning_rate: float, + betas: tuple[float, float], + device_type: str, +) -> torch.optim.AdamW: + """ + Create an AdamW optimizer for the given model with specified parameters. + + Args: + model (torch.nn.Module): The model for which the optimizer is created. + weight_decay (float): The weight decay (L2 penalty) for the optimizer. + learning_rate (float): The learning rate for the optimizer. + betas (tuple): Coefficients used for computing running averages of gradient and its square. + device_type (str): The device type ('cuda' or 'cpu') on which the optimizer will operate. + + Returns: + torch.optim.AdamW: The AdamW optimizer configured with the specified parameters. + """ + # start with all of the candidate parameters + param_dict = {pn: p for pn, p in model.named_parameters()} + # filter out those that do not require grad + param_dict = {pn: p for pn, p in param_dict.items() if p.requires_grad} + # create optim groups. Any parameters that is 2D will be weight decayed, otherwise no. + # i.e. all weight tensors in matmuls + embeddings decay, all biases and layernorms don't. + decay_params = [p for n, p in param_dict.items() if p.dim() >= 2] + nodecay_params = [p for n, p in param_dict.items() if p.dim() < 2] + optim_groups = [ + {"params": decay_params, "weight_decay": weight_decay}, + {"params": nodecay_params, "weight_decay": 0.0}, + ] + num_decay_params = sum(p.numel() for p in decay_params) + num_nodecay_params = sum(p.numel() for p in nodecay_params) + print( + f"num decayed parameter tensors: {len(decay_params)}, with {num_decay_params:,} parameters" + ) + print( + f"num non-decayed parameter tensors: {len(nodecay_params)}, with {num_nodecay_params:,} parameters" + ) + # Create AdamW optimizer and use the fused version if it is available + fused_available = "fused" in inspect.signature(torch.optim.AdamW).parameters + use_fused = fused_available and device_type == "cuda" + extra_args = dict(fused=True) if use_fused else dict() + optimizer = torch.optim.AdamW( + optim_groups, lr=learning_rate, betas=betas, **extra_args + ) + print(f"using fused AdamW: {use_fused}") + + return optimizer + + +def get_optimizer(configs, model: torch.nn.Module) -> torch.optim.Optimizer: + if configs.adam.use_adamw: + optimizer = get_adamw( + model=model, + weight_decay=configs.adam.weight_decay, + learning_rate=configs.adam.lr, + betas=(configs.adam.beta1, configs.adam.beta2), + device_type="cuda" if torch.cuda.is_available() else "cpu", + ) + else: + optimizer = torch.optim.Adam( + model.parameters(), + lr=configs.adam.lr, + weight_decay=configs.adam.weight_decay, + betas=(configs.adam.beta1, configs.adam.beta2), + ) + return optimizer + + +def is_loss_nan_check(loss: torch.Tensor) -> bool: + """check the validness of the current loss + + Args: + loss: the loss from the model + + Returns: + bool: if True, loss is not nan or inf + """ + + def is_nan(x): + return torch.isnan(x).any() or torch.isinf(x).any() + + def all_reduce_tensor(tensor, op=dist.ReduceOp.SUM): + if dist.is_initialized(): + dist.all_reduce(tensor, op=op) + return tensor + + nan_flag = torch.tensor( + 1.0 if is_nan(loss) else 0.0, + device=loss.device if torch.cuda.is_available() else None, + ) # support cpu + # avoid "Watchdog caught collective operation timeout" error + all_reduce_tensor(nan_flag) + if nan_flag.item() > 0.0: + return True + return False diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/colab_request_parser.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/colab_request_parser.py new file mode 100644 index 0000000000000000000000000000000000000000..762c2e904673c64130bf7086dedf74a221e195e4 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/colab_request_parser.py @@ -0,0 +1,392 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import json +import os +import subprocess +import traceback +from collections import defaultdict +from copy import deepcopy +from os.path import exists as opexists +from os.path import join as opjoin +from pathlib import Path +from typing import Any, Dict, List, Mapping, Sequence, Tuple + +import numpy as np + +import protenix.data.ccd as ccd +import requests +from protenix.data.json_to_feature import SampleDictToFeatures +from protenix.web_service.colab_request_utils import run_mmseqs2_service +from protenix.web_service.dependency_url import URL + +MMSEQS_SERVICE_HOST_URL = "http://101.126.11.40:80" +MAX_ATOM_NUM = 60000 +MAX_TOKEN_NUM = 5000 +DATA_CACHE_DIR = "/af3-dev/release_data/" +CHECKPOINT_DIR = "/af3-dev/release_model/" + + +def download_tos_url(tos_url, local_file_path): + try: + response = requests.get(tos_url, stream=True) + + if response.status_code == 200: + with open(local_file_path, "wb") as file: + for chunk in response.iter_content(chunk_size=8192): + file.write(chunk) + print(f"Succeeded downloading from {tos_url}.\nSaved to {local_file_path}.") + else: + print( + f"Failed downloading from {tos_url}.\nStatus code: {response.status_code}" + ) + + except Exception as e: + print(f"Error occured in downloading: {e}") + + +class TooLargeComplexError(Exception): + def __init__(self, **kwargs) -> None: + if "num_atoms" in kwargs: + message = ( + f"We can only process complexes with no more than {MAX_ATOM_NUM} atoms, " + f"but there are {kwargs['num_atoms']} atoms in the input." + ) + elif "num_tokens" in kwargs: + + message = ( + f"We can only process complexes with no more than {MAX_TOKEN_NUM} tokens, " + f"but there are {kwargs['num_tokens']} tokens in the input." + ) + else: + message = "" + super().__init__(message) + + +class RequestParser(object): + def __init__(self, request_json_path: str, request_dir: str) -> None: + with open(request_json_path, "r") as f: + self.request = json.load(f) + self.request_dir = request_dir + self.fpath = os.path.abspath(__file__) + os.makedirs(self.request_dir, exist_ok=True) + + def download_data_cache(self) -> Dict[str, str]: + data_cache_dir = DATA_CACHE_DIR + os.makedirs(data_cache_dir, exist_ok=True) + cache_paths = {} + for cache_name, fname in [ + ("ccd_components_file", "components.v20240608.cif"), + ("ccd_components_rdkit_mol_file", "components.v20240608.cif.rdkit_mol.pkl"), + ]: + if not opexists( + cache_path := os.path.abspath(opjoin(data_cache_dir, fname)) + ): + tos_url = URL[cache_name] + print(f"Downloading data cache from\n {tos_url}...") + download_tos_url(tos_url, cache_path) + cache_paths[cache_name] = cache_path + return cache_paths + + def download_model(self, model_version: str, checkpoint_local_path: str) -> None: + tos_url = URL[f"model_{model_version}"] + print(f"Downloading model checkpoing from\n {tos_url}...") + download_tos_url(tos_url, checkpoint_local_path) + + def get_model(self) -> str: + checkpoint_dir = CHECKPOINT_DIR + os.makedirs(checkpoint_dir, exist_ok=True) + model_version = self.request["model_version"] + if not opexists( + checkpoint_path := opjoin(checkpoint_dir, f"model_{model_version}.pt") + ): + self.download_model(model_version, checkpoint_local_path=checkpoint_path) + if opexists(checkpoint_path): + return checkpoint_path + else: + raise ValueError("Failed in finding model checkpoint.") + + def get_data_json(self) -> str: + input_json_dict = { + "name": (self.request["name"]), + "covalent_bonds": self.request["covalent_bonds"], + } + input_json_path = opjoin(self.request_dir, f"inputs.json") + + sequences = [] + entity_pending_msa = {} + for i, entity_info_wrapper in enumerate(self.request["sequences"]): + entity_id = str(i + 1) + entity_info_wrapper: Dict[str, Dict[Any]] + assert len(entity_info_wrapper) == 1 + + seq_type, seq_info = next(iter(entity_info_wrapper.items())) + + if seq_type == "proteinChain": + if self.request["use_msa"]: + entity_pending_msa[entity_id] = seq_info["sequence"] + + if seq_type not in [ + "proteinChain", + "dnaSequence", + "rnaSequence", + "ligand", + "ion", + ]: + raise NotImplementedError + sequences.append({seq_type: seq_info}) + + tmp_json_dict = deepcopy(input_json_dict) + tmp_json_dict["sequences"] = sequences + + cache_paths = self.download_data_cache() + ccd.COMPONENTS_FILE = cache_paths["ccd_components_file"] + ccd.RKDIT_MOL_PKL = Path(cache_paths["ccd_components_rdkit_mol_file"]) + sample2feat = SampleDictToFeatures( + tmp_json_dict, + ) + atom_array = sample2feat.get_atom_array() + num_atoms = len(atom_array) + num_tokens = np.sum(atom_array.centre_atom_mask) + if num_atoms > MAX_ATOM_NUM: + raise TooLargeComplexError(num_atoms=num_atoms) + if num_tokens > MAX_TOKEN_NUM: + raise TooLargeComplexError(num_tokens=num_tokens) + del tmp_json_dict + + if len(entity_pending_msa) > 0: + seq_to_entity_id = defaultdict(list) + for entity_id, seq in entity_pending_msa.items(): + seq_to_entity_id[seq].append(entity_id) + seq_to_entity_id = dict(seq_to_entity_id) + seqs_pending_msa = sorted(list(seq_to_entity_id.keys())) + + os.makedirs(msa_res_dir := opjoin(self.request_dir, "msa"), exist_ok=True) + + tmp_fasta_fpath = opjoin(msa_res_dir, "msa_input.fasta") + RequestParser.msa_search( + seqs_pending_msa=seqs_pending_msa, + tmp_fasta_fpath=tmp_fasta_fpath, + msa_res_dir=msa_res_dir, + ) + msa_res_subdirs = RequestParser.msa_postprocess( + seqs_pending_msa=seqs_pending_msa, + msa_res_dir=msa_res_dir, + ) + + for seq, msa_res_dir in zip(seqs_pending_msa, msa_res_subdirs): + for entity_id in seq_to_entity_id[seq]: + entity_index = int(entity_id) - 1 + sequences[entity_index]["proteinChain"]["msa"] = { + "precomputed_msa_dir": msa_res_dir, + "pairing_db": "uniref100", + "pairing_db_fpath": None, + "non_pairing_db_fpath": None, + "search_too": None, + "msa_save_dir": None, + } + + input_json_dict["sequences"] = sequences + with open(input_json_path, "w") as f: + json.dump([input_json_dict], f, indent=4) + return input_json_path + + @staticmethod + def msa_search( + seqs_pending_msa: Sequence[str], tmp_fasta_fpath: str, msa_res_dir: str + ) -> None: + lines = [] + for idx, seq in enumerate(seqs_pending_msa): + lines.append(f">query_{idx}\n") + lines.append(f"{seq}\n") + if (last_line := lines[-1]).endswith("\n"): + lines[-1] = last_line.rstrip("\n") + with open(tmp_fasta_fpath, "w") as f: + for lines in lines: + f.write(lines) + + with open(tmp_fasta_fpath, "r") as f: + query_seqs = f.read() + try: + run_mmseqs2_service( + query_seqs, + msa_res_dir, + True, + use_templates=False, + host_url=MMSEQS_SERVICE_HOST_URL, + user_agent="colabfold/1.5.5", + ) + except Exception as e: + error_message = f"MMSEQS2 failed with the following error message:\n{traceback.format_exc()}" + print(error_message) + + @staticmethod + def msa_postprocess(seqs_pending_msa: Sequence[str], msa_res_dir: str) -> None: + def read_m8(m8_file: str) -> Dict[str, str]: + uniref_to_ncbi_taxid = {} + with open(m8_file, "r") as infile: + for line in infile: + line_list = line.replace("\n", "").split("\t") + hit_name = line_list[1] + ncbi_taxid = line_list[2] + uniref_to_ncbi_taxid[hit_name] = ncbi_taxid + return uniref_to_ncbi_taxid + + def read_a3m(a3m_file: str) -> Tuple[List[str], List[str]]: + heads = [] + seqs = [] + with open(a3m_file, "r") as infile: + for line in infile: + if line.startswith(">"): + heads.append(line) + else: + seqs.append(line) + return heads, seqs + + def make_pairing_and_non_pairing_msa( + query_seq: str, + seq_dir: str, + raw_a3m_path: str, + uniref_to_ncbi_taxid: Mapping[str, str], + ) -> List[str]: + + heads, msa_seqs = read_a3m(raw_a3m_path) + uniref100_lines = [">query\n", f"{query_seq}\n"] + other_lines = [">query\n", f"{query_seq}\n"] + + for head, msa_seq in zip(heads, msa_seqs): + if msa_seq.rstrip("\n") == query_seq: + continue + + if "UniRef" in head: + uniref_id = head.split("\t")[0][1:] + ncbi_taxid = uniref_to_ncbi_taxid.get(uniref_id, None) + if ncbi_taxid is not None: + head = head.replace(uniref_id, f"{uniref_id}_{ncbi_taxid}/") + uniref100_lines.extend([head, msa_seq]) + else: + other_lines.extend([head, msa_seq]) + + with open(opjoin(seq_dir, "pairing.a3m"), "w") as f: + for line in uniref100_lines: + f.write(line) + with open(opjoin(seq_dir, "non_pairing.a3m"), "w") as f: + for line in other_lines: + f.write(line) + + def make_non_pairing_msa_only( + query_seq: str, + seq_dir: str, + raw_a3m_path: str, + ): + heads, msa_seqs = read_a3m(raw_a3m_path) + other_lines = [">query\n", f"{query_seq}\n"] + for head, msa_seq in zip(heads, msa_seqs): + if msa_seq.rstrip("\n") == query_seq: + continue + other_lines.extend([head, msa_seq]) + with open(opjoin(seq_dir, "non_pairing.a3m"), "w") as f: + for line in other_lines: + f.write(line) + + def make_dummy_msa( + query_seq: str, seq_dir: str, msa_type: str = "both" + ) -> None: + if msa_type == "both": + fnames = ["pairing.a3m", "non_pairing.a3m"] + elif msa_type == "pairing": + fnames = ["pairing.a3m"] + elif msa_type == "non_pairing": + fnames = ["non_pairing.a3m"] + else: + raise NotImplementedError + for fname in fnames: + with open(opjoin(seq_dir, fname), "w") as f: + f.write(">query\n") + f.write(f"{query_seq}\n") + + msa_res_subdirs = [] + for seq_idx, query_seq in enumerate(seqs_pending_msa): + os.makedirs( + seq_dir := os.path.abspath(opjoin(msa_res_dir, str(seq_idx))), + exist_ok=True, + ) + if opexists(raw_a3m_path := opjoin(msa_res_dir, f"{seq_idx}.a3m")): + if opexists(m8_path := opjoin(msa_res_dir, "uniref_tax.m8")): + uniref_to_ncbi_taxid = read_m8(m8_path) + make_pairing_and_non_pairing_msa( + query_seq=query_seq, + seq_dir=seq_dir, + raw_a3m_path=raw_a3m_path, + uniref_to_ncbi_taxid=uniref_to_ncbi_taxid, + ) + else: + make_non_pairing_msa_only( + query_seq=query_seq, + seq_dir=seq_dir, + raw_a3m_path=raw_a3m_path, + ) + make_dummy_msa( + query_seq=query_seq, seq_dir=seq_dir, msa_type="pairing" + ) + + else: + print( + f"Failed in searching MSA for \n{query_seq}\nusing the sequence itself as MSA." + ) + make_dummy_msa(query_seq=query_seq, seq_dir=seq_dir) + msa_res_subdirs.append(seq_dir) + + return msa_res_subdirs + + def launch(self) -> None: + input_json_path = self.get_data_json() + checkpoint_path = self.get_model() + + entry_path = os.path.abspath( + opjoin(os.path.dirname(self.fpath), "../../runner/inference.py") + ) + command_parts = [ + "export LAYERNORM_TYPE=fast_layernorm;", + f"python3 {entry_path}", + f"--load_checkpoint_path {checkpoint_path}", + f"--dump_dir {self.request_dir}", + f"--input_json_path {input_json_path}", + f"--need_atom_confidence {self.request['atom_confidence']}", + f"--use_msa {self.request['use_msa']}", + "--num_workers 0", + "--dtype bf16", + "--use_deepspeed_evo_attention True", + "--sample_diffusion.step_scale_eta 1.5", + ] + + if "model_seeds" in self.request: + seeds = ",".join([str(seed) for seed in self.request["model_seeds"]]) + command_parts.extend([f'--seeds "{seeds}"']) + for key in ["N_sample", "N_step"]: + if key in self.request: + command_parts.extend([f"--sample_diffusion.{key} {self.request[key]}"]) + if "N_cycle" in self.request: + command_parts.extend([f"--model.N_cycle {self.request['N_cycle']}"]) + command = " ".join(command_parts) + print(f"Launching inference process with the command below:\n{command}") + subprocess.call(command, shell=True) + + +if __name__ == "__main__": + parser = RequestParser( + request_json_path="/path/to/sample.json", + request_dir="./requests/debug", + ) + parser.launch() diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/colab_request_utils.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/colab_request_utils.py new file mode 100644 index 0000000000000000000000000000000000000000..b6b316dbc4b9470806eece5c9a80b018b87a3eb1 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/colab_request_utils.py @@ -0,0 +1,260 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import logging +import os +import random +import tarfile +import time +from typing import List, Tuple + +from requests.auth import HTTPBasicAuth +from tqdm import tqdm + +import requests + +TQDM_BAR_FORMAT = "{l_bar}{bar}| {n_fmt}/{total_fmt} [elapsed: {elapsed} estimate remaining: {remaining}]" +logger = logging.getLogger(__name__) + +username = "example_user" +password = "example_password" + + +def run_mmseqs2_service( + x, + prefix, + use_env=True, + use_filter=True, + use_templates=False, + filter=None, + use_pairing=False, + pairing_strategy="greedy", + host_url="https://api.colabfold.com", + user_agent: str = "", +) -> Tuple[List[str], List[str]]: + submission_endpoint = "ticket/pair" if use_pairing else "ticket/msa" + + headers = {} + if user_agent != "": + headers["User-Agent"] = user_agent + else: + logger.warning( + "No user agent specified. Please set a user agent (e.g., 'toolname/version contact@email') to help us debug in case of problems. This warning will become an error in the future." + ) + + def submit(seqs, mode, N=101): + n, query = N, "" + for seq in seqs: + query += f"{seq}\n" + n += 1 + + while True: + error_count = 0 + try: + # https://requests.readthedocs.io/en/latest/user/advanced/#advanced + # "good practice to set connect timeouts to slightly larger than a multiple of 3" + res = requests.post( + f"{host_url}/{submission_endpoint}", + data={"q": query, "mode": mode}, + timeout=6.02, + headers=headers, + auth=HTTPBasicAuth(username, password), + ) + except requests.exceptions.Timeout: + logger.warning("Timeout while submitting to MSA server. Retrying...") + continue + except Exception as e: + error_count += 1 + logger.warning( + f"Error while fetching result from MSA server. Retrying... ({error_count}/5)" + ) + logger.warning(f"Error: {e}") + time.sleep(5) + if error_count > 5: + raise + continue + break + + try: + out = res.json() + except ValueError: + logger.error(f"Server didn't reply with json: {res.text}") + out = {"status": "ERROR"} + return out + + def status(ID): + while True: + error_count = 0 + try: + res = requests.get( + f"{host_url}/ticket/{ID}", + timeout=6.02, + headers=headers, + auth=HTTPBasicAuth(username, password), + ) + except requests.exceptions.Timeout: + logger.warning( + "Timeout while fetching status from MSA server. Retrying..." + ) + continue + except Exception as e: + error_count += 1 + logger.warning( + f"Error while fetching result from MSA server. Retrying... ({error_count}/5)" + ) + logger.warning(f"Error: {e}") + time.sleep(5) + if error_count > 5: + raise + continue + break + try: + out = res.json() + except ValueError: + logger.error(f"Server didn't reply with json: {res.text}") + out = {"status": "ERROR"} + return out + + def download(ID, path): + error_count = 0 + while True: + try: + res = requests.get( + f"{host_url}/result/download/{ID}", + timeout=6.02, + headers=headers, + auth=HTTPBasicAuth(username, password), + ) + except requests.exceptions.Timeout: + logger.warning( + "Timeout while fetching result from MSA server. Retrying..." + ) + continue + except Exception as e: + error_count += 1 + logger.warning( + f"Error while fetching result from MSA server. Retrying... ({error_count}/5)" + ) + logger.warning(f"Error: {e}") + time.sleep(5) + if error_count > 5: + raise + continue + break + with open(path, "wb") as out: + out.write(res.content) + + # process input x + seqs = [x] if isinstance(x, str) else x + + # compatibility to old option + if filter is not None: + use_filter = filter + + # setup mode + if use_filter: + mode = "env" if use_env else "all" + else: + mode = "env-nofilter" if use_env else "nofilter" + + if use_pairing: + use_templates = False + use_env = False + mode = "" + # greedy is default, complete was the previous behavior + if pairing_strategy == "greedy": + mode = "pairgreedy" + elif pairing_strategy == "complete": + mode = "paircomplete" + + # define path + path = prefix + if not os.path.isdir(path): + os.mkdir(path) + + # call mmseqs2 api + tar_gz_file = f"{path}/out.tar.gz" + N, REDO = 101, True + + # deduplicate and keep track of order + seqs_unique = [] + # TODO this might be slow for large sets + [seqs_unique.append(x) for x in seqs if x not in seqs_unique] + Ms = [N + seqs_unique.index(seq) for seq in seqs] + # lets do it! + logger.error("Msa server is running.") + if not os.path.isfile(tar_gz_file): + TIME_ESTIMATE = 100 + with tqdm(total=TIME_ESTIMATE, bar_format=TQDM_BAR_FORMAT) as pbar: + while REDO: + pbar.set_description("SUBMIT") + + # Resubmit job until it goes through + out = submit(seqs_unique, mode, N) + while out["status"] in ["UNKNOWN", "RATELIMIT"]: + sleep_time = 60 + logger.error(f"Sleeping for {sleep_time}s. Reason: {out['status']}") + # resubmit + time.sleep(sleep_time) + out = submit(seqs_unique, mode, N) + + if out["status"] == "ERROR": + raise Exception( + f"MMseqs2 API is giving errors. Please confirm your input is a valid protein sequence. If error persists, please try again an hour later." + ) + + if out["status"] == "MAINTENANCE": + raise Exception( + f"MMseqs2 API is undergoing maintenance. Please try again in a few minutes." + ) + + # wait for job to finish + ID, TIME = out["id"], 0 + pbar.set_description(out["status"]) + while out["status"] in ["UNKNOWN", "RUNNING", "PENDING"]: + t = 60 + logger.error(f"Sleeping for {t}s. Reason: {out['status']}") + time.sleep(t) + out = status(ID) + pbar.set_description(out["status"]) + if out["status"] == "RUNNING": + TIME += t + pbar.n = min(99, int(100 * TIME / (30.0 * 60))) + pbar.refresh() + if out["status"] == "COMPLETE": + pbar.n = 100 + pbar.refresh() + REDO = False + + if out["status"] == "ERROR": + REDO = False + raise Exception( + f"MMseqs2 API is giving errors. Please confirm your input is a valid protein sequence. If error persists, please try again an hour later." + ) + + # Download results + download(ID, tar_gz_file) + with tarfile.open(tar_gz_file) as tar_gz: + tar_gz.extractall(os.path.dirname(tar_gz_file)) + files = os.listdir(os.path.dirname(tar_gz_file)) + if ( + "0.a3m" not in files + or "pdb70_220313_db.m8" not in files + or "uniref_tax.m8" not in files + ): + raise FileNotFoundError( + f"Files 0.a3m, pdb70_220313_db.m8, and uniref_tax.m8 not found in the directory." + ) + else: + print("Files downloaded and extracted successfully.") diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/dependency_url.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/dependency_url.py new file mode 100644 index 0000000000000000000000000000000000000000..ef516ba5ad8fde94d11b236ca499ccd47ec2dc8f --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/dependency_url.py @@ -0,0 +1,19 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +URL = { + "model_v0.2.0": "https://af3-dev.tos-cn-beijing.volces.com/release_model/model_v0.2.0.pt", + "ccd_components_file": "https://af3-dev.tos-cn-beijing.volces.com/release_data/components.v20240608.cif", + "ccd_components_rdkit_mol_file": "https://af3-dev.tos-cn-beijing.volces.com/release_data/components.v20240608.cif.rdkit_mol.pkl", +} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/prediction_visualization.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/prediction_visualization.py new file mode 100644 index 0000000000000000000000000000000000000000..0d7450a9e6dad813a839436623a0c3c9b6893be4 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/prediction_visualization.py @@ -0,0 +1,263 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import glob +import json +import os + +import biotite +import biotite.structure as struc +import matplotlib.pyplot as plt +import numpy as np +import py3Dmol +from biotite.structure.io.pdbx import CIFFile, get_structure +from matplotlib.colors import ListedColormap +from matplotlib.ticker import MaxNLocator + + +class PredictionLoader: + + def __init__(self, pred_fpath: str): + self.pred_fpath = pred_fpath + self._load_cif() + self._load_confidence_pred() + + def _load_json(self, fpath: str): + + try: + with open(fpath, "r") as file: + data = json.load(file) + return data + except FileNotFoundError: + print(f"Error: File '{fpath}' not found.") + except json.JSONDecodeError: + print(f"Error: Failed to decode JSON from file '{fpath}'.") + except Exception as e: + print(f"An unexpected error occurred: {e}") + + def _convert_to_numpy(self, data: dict): + for k, v in data.items(): + if isinstance(v, list): + # convert values to numpy array + data[k] = np.array(v) + return data + + def _load_cif(self): + assert os.path.exists(self.pred_fpath), "prediction file path does not exist." + fpath_all_preds = glob.glob(os.path.join(self.pred_fpath, "*.cif")) + self.cif_paths = fpath_all_preds + self.fnames = [s.split("/")[-1].replace(".cif", "") for s in fpath_all_preds] + self.preds = [ + get_structure(pdbx_file=CIFFile.read(fpath), model=1, altloc="all") + for fpath in fpath_all_preds + ] + + def _load_confidence_pred(self): + fpath_all_confidences = glob.glob(os.path.join(self.pred_fpath, "*.json")) + fpath_full_confidences = [ + fpath for fpath in fpath_all_confidences if "full_data_sample" in fpath + ] + fpath_summary_confidences = [ + fpath for fpath in fpath_all_confidences if "summary_confidence" in fpath + ] + + self.summary_confidence_data = [ + self._convert_to_numpy(self._load_json(fpath)) + for fpath in fpath_summary_confidences + ] + + if fpath_full_confidences: + self.full_confidence_data = [ + self._convert_to_numpy(self._load_json(fpath)) + for fpath in fpath_full_confidences + ] + else: + self.full_confidence_data = None + + +def plot_contact_maps_from_pred( + preds: list, + fnames: list, + threshold: float = 7, + rep_atom: str = "CA", +) -> None: + """ + Plot contact maps from a directory + + Args + preds (list): list of biotite.structure.AtomArrays + fnames (list): list of prediction names + threshold (int): threshold cutoff for the contact map + rep_atom (str): type of representative atoms, commonly options are 'CA' and 'CB' + """ + + adjacency_matrices = [] + for pred in preds: + rep_atom_coord = pred[pred.atom_name == rep_atom] + cell_list = struc.CellList(rep_atom_coord, cell_size=threshold) + adjacency_matrices.append(cell_list.create_adjacency_matrix(threshold)) + + cmap = ListedColormap(["white", biotite.colors["dimgreen"]]) + fig, axes = plt.subplots(nrows=1, ncols=len(fnames), figsize=(len(fnames) * 3, 6)) + + for i in range(len(fnames)): + axes[i].matshow(adjacency_matrices[i], cmap=cmap, origin="lower") + axes[i].xaxis.tick_bottom() + axes[i].set_aspect("equal") + axes[i].set_xlabel("Residue Number") + axes[i].set_ylabel("Residue Number") + axes[i].set_title(fnames[i]) + + fig.tight_layout() + plt.show() + + +def plot_confidence_measures_from_pred( + full_confidence: list, + summary_confidence: list, + fnames: list, + show_global_confidence: bool, + *args, + **kwargs, +) -> None: + """ + Plot contact maps from a directory + + Args + full_confidence (list): list of full confidence metrics from prediction + summary_confidence (list): list of summary confidence metrics from prediction + fnames (list): list of prediction names + """ + + atom_plddts = [d["atom_plddt"] for d in full_confidence] + token_pdes = [d["token_pair_pde"] for d in full_confidence] + token_paes = [d["token_pair_pae"] for d in full_confidence] + summary_keys = ["plddt", "gpde", "ptm", "iptm"] + + fig, axes = plt.subplots( + nrows=3, + ncols=len(fnames), + figsize=(len(fnames) * 5, 10), + gridspec_kw={"height_ratios": [1.5, 2, 2]}, + ) + for i in range(3): + for j in range(len(fnames)): + summary_text = ", ".join( + [ + f"{k}:{v:.4f}" + for k, v in summary_confidence[j].items() + if k in summary_keys + ] + ) + if i == 0: + axes[i, j].plot(atom_plddts[j], color="k") + axes[i, j].set_title(fnames[j], fontsize=15, pad=20) + if show_global_confidence: + axes[i, j].text( + 0.5, + 1.07, + summary_text, + ha="center", + va="center", + transform=axes[i, j].transAxes, + fontsize=10, + ) + axes[i, j].set_xlabel("Atom ID", fontsize=12) + axes[i, j].set_ylabel("pLDDT", fontsize=12) + axes[i, j].set_ylim([0, 100]) + axes[i, j].spines[["right", "top"]].set_visible(False) + + else: + data_to_plot = token_pdes[j] if i == 1 else token_paes[j] + cax = axes[i, j].matshow(data_to_plot, origin="lower") + axes[i, j].xaxis.tick_bottom() + axes[i, j].set_aspect("equal") + axes[i, j].set_xlabel("Scored Residue", fontsize=12) + axes[i, j].set_ylabel("Aligned Residue", fontsize=12) + axes[i, j].xaxis.set_major_locator( + MaxNLocator(3) + ) # Max 5 ticks on the x-axis + axes[i, j].yaxis.set_major_locator( + MaxNLocator(3) + ) # Max 5 ticks on the y-axis + color_bar = fig.colorbar( + cax, ax=axes[i, j], orientation="vertical", pad=0.1, shrink=0.6 + ) + cbar_label = ( + "Predicted Distance Error" if i == 1 else "Predicted Aligned Error" + ) + color_bar.set_label(cbar_label) + + fig.tight_layout() + fig.subplots_adjust(hspace=0.4) + + plt.show() + + +def plot_3d( + pred_id=0, + pred_loader=None, + show_sidechains=False, + show_mainchains=False, + color="rainbow", +): + view = py3Dmol.view( + js="https://3dmol.org/build/3Dmol.js", + ) + fpath = pred_loader.cif_paths[pred_id] + view.addModelsAsFrames(open(fpath, "r").read(), "cif") + if color == "pLDDT": + assert pred_loader is not None + plddt = pred_loader.full_confidence_data[0]["atom_plddt"] + for i, score in enumerate(plddt): + normalized_color = int( + 255 * (score - min(plddt)) / (max(plddt) - min(plddt)) + ) + color = f"rgb({normalized_color}, 0, {255 - normalized_color})" # Gradient from blue to red + + # Apply color to each atom individually based on pLDDT score + view.setStyle( + {"serial": i + 1}, {"cartoon": {"color": color, "min": 50, "max": 90}} + ) + + elif color == "rainbow": + view.setStyle({"cartoon": {"color": "spectrum"}}) + + if show_sidechains: + BB = ["C", "O", "N"] + view.addStyle( + { + "and": [ + {"resn": ["GLY", "PRO"], "invert": True}, + {"atom": BB, "invert": True}, + ] + }, + {"stick": {"colorscheme": f"WhiteCarbon", "radius": 0.3}}, + ) + view.addStyle( + {"and": [{"resn": "GLY"}, {"atom": "CA"}]}, + {"sphere": {"colorscheme": f"WhiteCarbon", "radius": 0.3}}, + ) + view.addStyle( + {"and": [{"resn": "PRO"}, {"atom": ["C", "O"], "invert": True}]}, + {"stick": {"colorscheme": f"WhiteCarbon", "radius": 0.3}}, + ) + if show_mainchains: + BB = ["C", "O", "N", "CA"] + view.addStyle( + {"atom": BB}, {"stick": {"colorscheme": f"WhiteCarbon", "radius": 0.3}} + ) + + view.zoomTo() + return view diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/viewer.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/viewer.py new file mode 100644 index 0000000000000000000000000000000000000000..6965ac5f3976ab033b440ff6bd3939e1ec3af211 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/protenix/web_service/viewer.py @@ -0,0 +1,615 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import re + +import ipywidgets as widgets + + +class DnaRnaProteinEntityWidget(widgets.VBox): + def __init__(self, **kwargs): + super().__init__(**kwargs) + self.layout.border = "1px solid black" + self.layout.padding = "1px" + self.layout.margin = "1px" + self.molecule_type_dropdown = widgets.Dropdown( + options=["Protein", "DNA", "RNA"], + value="Protein", + disabled=False, + ) + self.recode_name = { + "Protein": "proteinChain", + "DNA": "dnaSequence", + "RNA": "rnaSequence", + } + + self.copies_int_text = widgets.BoundedIntText( + value=1, min=1, max=100, step=1, description="Copies:", disabled=False + ) + + self.sequence_text = widgets.Textarea( + value="", + placeholder="Paste sequence or fasta", + description="Sequence:", + disabled=False, + ) + + def handle_submit(sender): + item = sender["owner"] + cleaned_value = re.sub(r"[^a-zA-Z]", "", item.value) + item.value = cleaned_value.upper() + + self.sequence_text.observe(handle_submit, names="value") + + self.add_modification = widgets.Button( + description="modification", + disabled=False, + tooltip="add modification", + icon="plus", + ) + + self.modifications = list() + self.modifications_id = list() + self.modifications_count = 0 + + self.add_modification.on_click(self.add_modification_callback) + + self.update() + + def add_modification_callback(self, b): + self.modifications_count += 1 + index = self.modifications_count + modificationType = widgets.Text( + value="CCD_XXX", + placeholder="CCD_XXX", + description="modificationType", + max_length=6, + disabled=False, + ) + + def handle_submit(sender): + item = sender["owner"] + item.value = item.value.upper() + if item.value[0:4] != "CCD_": + item.value = "CCD_" + item.value = item.value[0:10] + if len(item.value) < 4: + item.value = "CCD_" + item.value = re.sub(r"[^A-Z0-9_]", "", item.value) + + modificationType.observe(handle_submit, names="value") + + ptmPosition = widgets.BoundedIntText( + value=1, min=1, description="Position:", disabled=False + ) + delete_button = widgets.Button( + description="modification", + disabled=False, + button_style="danger", + tooltip="Click to delete this row", + icon="trash", + ) + delete_button.on_click(lambda b: self.delete_ptm_row(index)) + self.modifications.append( + widgets.HBox([modificationType, ptmPosition, delete_button]) + ) + self.modifications_id.append(index) + self.update() + + def update(self): + self.children = ( + [ + widgets.HBox( + [ + self.molecule_type_dropdown, + self.copies_int_text, + self.sequence_text, + ] + ) + ] + + [i for i in self.modifications] + + [self.add_modification] + ) + + def delete_ptm_row(self, index): + for idx in range(len(self.modifications_id)): + if self.modifications_id[idx] == index: + self.modifications.pop(idx) + self.modifications_id.pop(idx) + break + self.update() + + def get_result(self): + result = dict() + sequence_type = self.molecule_type_dropdown.value + recode_name = self.recode_name[sequence_type] + sequence = self.sequence_text.value + result[recode_name] = dict() + result[recode_name]["count"] = self.copies_int_text.value + result[recode_name]["sequence"] = sequence + assert len(result[recode_name]["sequence"]) > 0, "sequence length must > 0" + result[recode_name]["modifications"] = [ + { + "modificationType": item.children[0].value, + "Position": item.children[1].value, + } + for item in self.modifications + ] + for item in result[recode_name]["modifications"]: + pos = item["Position"] + assert pos <= len(result[recode_name]["sequence"]), "position out of range" + + if sequence_type == "Protein": + valid_chars = set("ARNDCQEGHILKMFPSTWYVX") + for char in sequence: + assert ( + char in valid_chars + ), f"Invalid character '{char}' in sequence. valid set is {valid_chars}" + elif sequence_type == "DNA": + valid_chars = set("AGCTXINU") + for char in sequence: + assert ( + char in valid_chars + ), f"Invalid character '{char}' in sequence. valid set is {valid_chars}" + elif sequence_type == "RNA": + valid_chars = set("AGCUXIN") + for char in sequence: + assert ( + char in valid_chars + ), f"Invalid character '{char}' in sequence. valid set is {valid_chars}" + return result + + +class LigandSmilesEntityWidget(widgets.VBox): + def __init__(self, **kwargs): + super().__init__(**kwargs) + self.layout.border = "1px solid black" + self.layout.padding = "1px" + self.layout.margin = "1px" + + self.molecule_type_dropdown = widgets.Dropdown( + options=["Ligand"], + value="Ligand", + disabled=False, + ) + + self.copies_int_text = widgets.BoundedIntText( + value=1, min=1, max=100, step=1, description="Copies:", disabled=False + ) + + self.smiles_text = widgets.Textarea( + value="", + placeholder="SMILES", + description="SMILES:", + disabled=False, + ) + + self.update() + + def update(self): + self.children = [ + widgets.HBox( + [self.molecule_type_dropdown, self.copies_int_text, self.smiles_text] + ) + ] + + def get_result(self): + result = dict() + name = "ligand" + result[name] = dict() + result[name][name] = self.smiles_text.value + assert len(result[name][name]) > 0, "SMILES length must > 0" + result[name]["count"] = self.copies_int_text.value + return result + + +class LigandIonCCDEntityWidget(widgets.VBox): + def __init__(self, **kwargs): + super().__init__(**kwargs) + self.layout.border = "1px solid black" + self.layout.padding = "1px" + self.layout.margin = "1px" + + self.molecule_type_dropdown = widgets.Dropdown( + options=["Ligand", "Ion"], + value="Ligand", + disabled=False, + ) + + self.copies_int_text = widgets.BoundedIntText( + value=1, min=1, max=100, step=1, description="Copies:", disabled=False + ) + + self.sequence_text = widgets.Text( + value="CCD_XXX", + placeholder="Paste sequence or fasta", + description="CCD:", + disabled=False, + ) + + def handle_submit(sender): + item = sender["owner"] + item.value = item.value.upper() + if item.value[0:4] != "CCD_": + item.value = "CCD_" + if len(item.value) < 4: + item.value = "CCD_" + + self.sequence_text.observe(handle_submit, names="value") + + self.update() + + def update(self): + self.children = [ + widgets.HBox( + [self.molecule_type_dropdown, self.copies_int_text, self.sequence_text] + ) + ] + + def get_result(self): + result = dict() + if self.molecule_type_dropdown.value == "Ion": + name = "ion" + else: + name = "ligand" + result[name] = dict() + result[name][name] = ( + self.sequence_text.value + if name == "ligand" + else self.sequence_text.value[4::] + ) + result[name]["count"] = self.copies_int_text.value + return result + + +class CovalentBondsWidget(widgets.VBox): + def __init__(self, **kwargs): + super().__init__(**kwargs) + self.layout.border = "1px solid black" + self.layout.padding = "1px" + self.layout.margin = "1px" + + self.convalent_bonds = list() + self.convalent_bonds_id = list() + self.convalent_bonds_count = 0 + + self.add_convalent_bond_buttom = widgets.Button( + description="convalent_bond", + disabled=False, + tooltip="add convalent_bond", + icon="plus", + ) + + self.add_convalent_bond_buttom.on_click(self.on_add_convalent_bond) + + self.update() + + def on_add_convalent_bond(self, b): + self.convalent_bonds_count += 1 + index = self.convalent_bonds_count + + left_entity = widgets.BoundedIntText( + value=1, min=1, description="left entity", disabled=False + ) + left_position = widgets.BoundedIntText( + value=1, min=1, description="left pos", disabled=False + ) + left_atom = widgets.Text( + value="", placeholder="left atom", description="left atom", disabled=False + ) + right_entity = widgets.BoundedIntText( + value=1, min=1, description="right entity", disabled=False + ) + right_position = widgets.BoundedIntText( + value=1, min=1, description="right pos", disabled=False + ) + right_atom = widgets.Text( + value="", placeholder="right atom", description="right atom", disabled=False + ) + delete_button = widgets.Button( + description="convalent bond", + disabled=False, + button_style="danger", + tooltip="Click to delete this row", + icon="trash", + ) + delete_button.on_click(lambda b: self.delete_row(index)) + self.convalent_bonds.append( + widgets.HBox( + [ + left_entity, + left_position, + left_atom, + right_entity, + right_position, + right_atom, + delete_button, + ] + ) + ) + self.convalent_bonds_id.append(index) + self.update() + + def delete_row(self, index): + for idx in range(len(self.convalent_bonds_id)): + if self.convalent_bonds_id[idx] == index: + self.convalent_bonds.pop(idx) + self.convalent_bonds_id.pop(idx) + break + self.update() + + def update(self): + self.children = [item for item in self.convalent_bonds] + [ + self.add_convalent_bond_buttom + ] + + def get_result(self): + result = [ + { + "left_entity": item.children[0].value, + "left_position": item.children[1].value, + "left_atom": item.children[2].value, + "right_entity": item.children[3].value, + "right_position": item.children[4].value, + "right_atom": item.children[5].value, + } + for item in self.convalent_bonds + ] + return result + + +class ModelWidget(widgets.VBox): + def __init__(self, **kwargs): + super().__init__(**kwargs) + self.layout.border = "1px solid black" + self.layout.padding = "1px" + self.layout.margin = "1px" + + self.sample = widgets.BoundedIntText( + value=5, + description="N_sample", + tooltip="diffusion model samples", + disabled=False, + ) + + self.step = widgets.BoundedIntText( + value=200, + max=500, + description="N_step", + tooltip="diffusion model step", + disabled=False, + ) + + self.cycle = widgets.BoundedIntText( + value=10, description="N_cycle", tooltip="n cycle of model", disabled=False + ) + + self.seeds = widgets.Text( + value="1,2,3,4,5", + description="seeds", + tooltip="random seeds", + disabled=False, + ) + + self.version = widgets.Dropdown( + options=["v1", "v2", "v3", "v4", "v5"], + value="v1", + description="version", + tooltip="model version", + ) + + self.update() + + def update(self): + self.children = [ + widgets.HBox([self.sample, self.step, self.cycle, self.seeds, self.version]) + ] + + def get_result(self): + results = dict() + results["model_seeds"] = [int(i) for i in self.seeds.value.split(",")] + results["model_version"] = self.version.value + results["N_sample"] = self.sample.value + results["N_step"] = self.step.value + results["N_cycle"] = self.cycle.value + return results + + +class ProtenixInputViewer(widgets.VBox): + def __init__(self, **kwargs): + super().__init__(**kwargs) + self.layout.border = "1px solid black" + self.layout.padding = "1px" + self.layout.margin = "1px" + + self.name = widgets.Text( + value="", placeholder="name", description="name", disabled=False + ) + + def handle_submit(sender): + item = sender["owner"] + cleaned_value = re.sub(r"[^a-zA-Z0-9_]", "", item.value) + item.value = cleaned_value + + self.name.observe(handle_submit, names="value") + + self.use_msa = widgets.Checkbox( + value=True, description="use_msa", disabled=False + ) + self.atom_confidence = widgets.Checkbox( + value=False, description="atom_confidence", disabled=False + ) + + self.ligand_smiles_entities = list() + self.ligand_smiles_entities_id = list() + self.ligand_smiles_entities_count = 0 + + self.dna_rna_protein_entities = list() + self.dna_rna_protein_entities_id = list() + self.dna_rna_protein_entities_count = 0 + + self.covalent_bonds = CovalentBondsWidget() + + self.add_ligand_smiles = widgets.Button( + description="Ligand(SMILES)", + disabled=False, + tooltip="add Ligand(SMILES) Entity", + icon="plus", + ) + + self.add_ligand_ion_ccd = widgets.Button( + description="Ligand/Ion CCD", + disabled=False, + tooltip="add Ligand/Ion Entity", + icon="plus", + ) + + self.add_dna_rna_protein = widgets.Button( + description="Dna/Rna/Protein", + disabled=False, + tooltip="add Dna/Rna/Protein Entity", + icon="plus", + ) + + self.model_parameter = ModelWidget() + + self.add_ligand_smiles.on_click(self.add_ligand_smiles_callback) + self.add_ligand_ion_ccd.on_click(self.add_ligand_ion_ccd_callback) + self.add_dna_rna_protein.on_click(self.add_dna_rna_protein_callback) + + self.update() + + def add_ligand_smiles_callback(self, b): + self.ligand_smiles_entities_count += 1 + index = self.ligand_smiles_entities_count + item = LigandSmilesEntityWidget() + delete_button = widgets.Button( + description="entity", + disabled=False, + button_style="danger", + tooltip="Click to delete this row", + icon="trash", + ) + delete_button.on_click(lambda b: self.delete_ligand_ion_ccd_row(index)) + self.ligand_smiles_entities.append(widgets.HBox([item, delete_button])) + self.ligand_smiles_entities_id.append(index) + self.update() + + def add_ligand_ion_ccd_callback(self, b): + self.ligand_smiles_entities_count += 1 + index = self.ligand_smiles_entities_count + item = LigandIonCCDEntityWidget() + delete_button = widgets.Button( + description="entity", + disabled=False, + button_style="danger", + tooltip="Click to delete this row", + icon="trash", + ) + delete_button.on_click(lambda b: self.delete_ligand_ion_ccd_row(index)) + self.ligand_smiles_entities.append(widgets.HBox([item, delete_button])) + self.ligand_smiles_entities_id.append(index) + self.update() + + def delete_ligand_ion_ccd_row(self, index): + for idx in range(len(self.ligand_smiles_entities_id)): + if self.ligand_smiles_entities_id[idx] == index: + self.ligand_smiles_entities.pop(idx) + self.ligand_smiles_entities_id.pop(idx) + break + self.update() + + def add_dna_rna_protein_callback(self, b): + self.dna_rna_protein_entities_count += 1 + index = self.dna_rna_protein_entities_count + item = DnaRnaProteinEntityWidget() + delete_button = widgets.Button( + description="entity", + disabled=False, + button_style="danger", + tooltip="Click to delete this row", + icon="trash", + ) + delete_button.on_click(lambda b: self.delete_dna_rna_protein_row(index)) + self.dna_rna_protein_entities.append(widgets.HBox([item, delete_button])) + self.dna_rna_protein_entities_id.append(index) + self.update() + + def delete_dna_rna_protein_row(self, index): + for idx in range(len(self.dna_rna_protein_entities_id)): + if self.dna_rna_protein_entities_id[idx] == index: + self.dna_rna_protein_entities.pop(idx) + self.dna_rna_protein_entities_id.pop(idx) + break + self.update() + + def update(self): + self.children = ( + [widgets.HBox([self.name, self.use_msa, self.atom_confidence])] + + [item for item in self.dna_rna_protein_entities] + + [item for item in self.ligand_smiles_entities] + + [self.covalent_bonds] + + [ + widgets.HBox( + [ + self.add_dna_rna_protein, + self.add_ligand_smiles, + self.add_ligand_ion_ccd, + ] + ) + ] + + [self.model_parameter] + ) + + def get_result(self): + result = dict() + result["name"] = self.name.value + assert len(result["name"]) != 0, "name is empty" + result["use_msa"] = self.use_msa.value + result["atom_confidence"] = self.atom_confidence.value + result["sequences"] = [ + item.children[0].get_result() for item in self.dna_rna_protein_entities + ] + [item.children[0].get_result() for item in self.ligand_smiles_entities] + result["covalent_bonds"] = self.covalent_bonds.get_result() + model_paramter = self.model_parameter.get_result() + for key in model_paramter: + result[key] = model_paramter[key] + + entity_num = len(result["sequences"]) + for covalent_bond in result["covalent_bonds"]: + assert ( + covalent_bond["left_entity"] <= entity_num + and covalent_bond["left_entity"] > 0 + ), "covalent bond index out of range" + assert ( + covalent_bond["right_entity"] <= entity_num + and covalent_bond["right_entity"] > 0 + ), "covalent bond index out of range" + + assert len(covalent_bond["left_atom"]) != 0, "left atom is empty" + assert len(covalent_bond["right_atom"]) != 0, "right_atom atom is empty" + + left_entiy = result["sequences"][covalent_bond["left_entity"] - 1] + left_entiy_seq = left_entiy[[item for item in left_entiy.keys()][0]] + right_entity = result["sequences"][covalent_bond["right_entity"] - 1] + right_entity_seq = right_entity[[item for item in right_entity.keys()][0]] + assert ( + covalent_bond["left_position"] <= len(left_entiy_seq) + and covalent_bond["left_position"] >= 1 + ), "left position out of range" + assert ( + covalent_bond["right_position"] <= len(right_entity_seq) + and covalent_bond["right_position"] >= 1 + ), "right position out of range" + return result diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/requirements.txt b/benchmarks/FoldBench/algorithms/Protenix/Protenix/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..88dbe89cadba17215e0aa7ad13131ae2bf23cbae --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/requirements.txt @@ -0,0 +1,23 @@ +nvidia-cublas-cu12 +torch==2.3.1 +PyYaml +scipy +ml_collections +tqdm +pandas +dm-tree +rdkit +biopython==1.83 +modelcif==0.7 +biotite==1.1.0 +scikit-learn +scikit-learn-extra +deepspeed==0.14.4 +protobuf==3.20.2 +icecream +ipdb +wandb +numpy==1.26.3 +matplotlib==3.9.2 +ipywidgets +py3Dmol \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/batch_inference.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/batch_inference.py new file mode 100644 index 0000000000000000000000000000000000000000..acebea432b90423bf5d1c41afd1de3b0acd3c88f --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/batch_inference.py @@ -0,0 +1,445 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import json +import logging +import os +import tempfile +import time +import uuid +from pathlib import Path +from typing import List, Optional, Union + +import click +import tqdm +from Bio import SeqIO +from configs.configs_base import configs as configs_base +from configs.configs_data import data_configs +from configs.configs_inference import inference_configs +from rdkit import Chem +from runner.inference import InferenceRunner, download_infercence_cache, infer_predict +from runner.msa_search import contain_msa_res, msa_search, msa_search_update + +from protenix.config import parse_configs +from protenix.data.json_maker import cif_to_input_json +from protenix.data.json_parser import lig_file_to_atom_info +from protenix.data.utils import pdb_to_cif +from protenix.utils.logger import get_logger + +logger = get_logger(__name__) + + +def init_logging(): + LOG_FORMAT = "%(asctime)s,%(msecs)-3d %(levelname)-8s [%(filename)s:%(lineno)s %(funcName)s] %(message)s" + logging.basicConfig( + format=LOG_FORMAT, + level=logging.INFO, + datefmt="%Y-%m-%d %H:%M:%S", + filemode="w", + ) + + +def generate_infer_jsons( + protein_msa_res: dict, ligand_file: str, seeds: List[int] = [101] +) -> List[str]: + protein_chains = [] + if len(protein_msa_res) <= 0: + raise RuntimeError(f"invalid `protein_msa_res` data in {protein_msa_res}") + for key, value in protein_msa_res.items(): + protein_chain = {} + protein_chain["proteinChain"] = {} + protein_chain["proteinChain"]["sequence"] = key + protein_chain["proteinChain"]["count"] = value.get("count", 1) + protein_chain["proteinChain"]["msa"] = value + protein_chains.append(protein_chain) + if os.path.isdir(ligand_file): + ligand_files = [ + str(file) for file in Path(ligand_file).rglob("*") if file.is_file() + ] + if len(ligand_files) == 0: + raise RuntimeError( + f"can not read a valid `sdf` or `smi` ligand_file in {ligand_file}" + ) + elif os.path.isfile(ligand_file): + ligand_files = [ligand_file] + else: + raise RuntimeError(f"can not read a special ligand_file: {ligand_file}") + + invalid_ligand_files = [] + sdf_ligand_files = [] + smi_ligand_files = [] + tmp_json_name = uuid.uuid4().hex + current_local_dir = ( + f"/tmp/{time.strftime('%Y-%m-%d', time.localtime())}/{tmp_json_name}" + ) + current_local_json_dir = ( + f"/tmp/{time.strftime('%Y-%m-%d', time.localtime())}/{tmp_json_name}_jsons" + ) + os.makedirs(current_local_dir, exist_ok=True) + os.makedirs(current_local_json_dir, exist_ok=True) + for li_file in ligand_files: + try: + if li_file.endswith(".smi"): + smi_ligand_files.append(li_file) + elif li_file.endswith(".sdf"): + suppl = Chem.SDMolSupplier(li_file) + if len(suppl) <= 1: + lig_file_to_atom_info(li_file) + sdf_ligand_files.append([li_file]) + else: + sdf_basename = os.path.join( + current_local_dir, os.path.basename(li_file).split(".")[0] + ) + li_files = [] + for idx, mol in enumerate(suppl): + p_sdf_path = f"{sdf_basename}_part_{idx}.sdf" + writer = Chem.SDWriter(p_sdf_path) + writer.write(mol) + writer.close() + li_files.append(p_sdf_path) + lig_file_to_atom_info(p_sdf_path) + sdf_ligand_files.append(li_files) + else: + lig_file_to_atom_info(li_file) + sdf_ligand_files.append(li_file) + except Exception as exc: + logging.info(f" lig_file_to_atom_info failed with error info: {exc}") + invalid_ligand_files.append(li_file) + logger.info(f"the json to infer will be save to {current_local_json_dir}") + infer_json_files = [] + for li_files in sdf_ligand_files: + one_infer_seq = protein_chains[:] + for li_file in li_files: + ligand_name = os.path.basename(li_file).split(".")[0] + ligand_chain = {} + ligand_chain["ligand"] = {} + ligand_chain["ligand"]["ligand"] = f"FILE_{li_file}" + ligand_chain["ligand"]["count"] = 1 + one_infer_seq.append(ligand_chain) + one_infer_json = [{"sequences": one_infer_seq, "name": ligand_name}] + json_file_name = os.path.join( + current_local_json_dir, f"{ligand_name}_sdf_{uuid.uuid4().hex}.json" + ) + with open(json_file_name, "w") as f: + json.dump(one_infer_json, f, indent=4) + infer_json_files.append(json_file_name) + + for smi_ligand_file in smi_ligand_files: + one_infer_seq = protein_chains[:] + with open(smi_ligand_file, "r") as f: + smile_list = f.readlines() + one_infer_seq = protein_chains[:] + ligand_name = os.path.basename(smi_ligand_file).split(".")[0] + for smile in smile_list: + normalize_smile = smile.replace("\n", "") + ligand_chain = {} + ligand_chain["ligand"] = {} + ligand_chain["ligand"]["ligand"] = normalize_smile + ligand_chain["ligand"]["count"] = 1 + one_infer_seq.append(ligand_chain) + one_infer_json = [{"sequences": one_infer_seq, "name": ligand_name}] + json_file_name = os.path.join( + current_local_json_dir, f"{ligand_name}_smi_{uuid.uuid4().hex}.json" + ) + with open(json_file_name, "w") as f: + json.dump(one_infer_json, f, indent=4) + infer_json_files.append(json_file_name) + if len(invalid_ligand_files) > 0: + logger.warning( + f"{len(invalid_ligand_files)} sdf file is invaild, one of them is {invalid_ligand_files[0]}" + ) + return infer_json_files + + +def get_default_runner(seeds: Optional[list] = None) -> InferenceRunner: + configs_base["use_deepspeed_evo_attention"] = ( + os.environ.get("USE_DEEPSPEED_EVO_ATTTENTION", False) == "true" + ) + configs_base["model"]["N_cycle"] = 10 + configs_base["sample_diffusion"]["N_sample"] = 5 + configs_base["sample_diffusion"]["N_step"] = 200 + configs = {**configs_base, **{"data": data_configs}, **inference_configs} + configs = parse_configs( + configs=configs, + fill_required_with_null=True, + ) + if seeds is not None: + configs.seeds = seeds + download_infercence_cache(configs, model_version="v0.2.0") + return InferenceRunner(configs) + + +def inference_jsons( + json_file: str, + out_dir: str = "./output", + use_msa_server: bool = False, + seeds: list = [101], +) -> None: + """ + infer_json: json file or directory, will run infer with these jsons + + """ + infer_jsons = [] + if os.path.isdir(json_file): + infer_jsons = [ + str(file) for file in Path(json_file).rglob("*") if file.is_file() + ] + if len(infer_jsons) == 0: + raise RuntimeError( + f"can not read a valid `sdf` or `smi` ligand_file in {json_file}" + ) + elif os.path.isfile(json_file): + infer_jsons = [json_file] + else: + raise RuntimeError(f"can not read a special ligand_file: {json_file}") + infer_jsons = [file for file in infer_jsons if file.endswith(".json")] + logger.info(f"will infer with {len(infer_jsons)} jsons") + if len(infer_jsons) == 0: + return + + infer_errors = {} + inference_configs["dump_dir"] = out_dir + inference_configs["input_json_path"] = infer_jsons[0] + runner = get_default_runner(seeds) + configs = runner.configs + for idx, infer_json in enumerate(tqdm.tqdm(infer_jsons)): + try: + if use_msa_server: + infer_json = msa_search_update( + infer_json, os.path.join(out_dir, f"msa_res_{idx}") + ) + elif not contain_msa_res(infer_json): + raise RuntimeError(f"can not find msa for {infer_json}") + configs["input_json_path"] = infer_json + if not contain_msa_res(infer_json): + raise RuntimeError( + f"`{infer_json}` has no msa result for `proteinChain`, please add first." + ) + infer_predict(runner, configs) + except Exception as exc: + infer_errors[infer_json] = str(exc) + if len(infer_errors) > 0: + logger.warning(f"run inference failed: {infer_errors}") + + +def batch_inference( + protein_msa_res: dict, + ligand_file: str, + out_dir: str = "./output", + seeds: List[int] = [101], +) -> None: + """ + ligand_file: ligand file or directory, should be in sdf format or smi with smlies list; + protein_msa_res: the msa result for `protein`, like: + { "MGHHHHHHHHHHSSGH": { + "precomputed_msa_dir": "/path/to/msa_pairing/result/msa/1", + "pairing_db": "uniref100" + }, + "MAEVIRSSAFWRSFPIFEEFDSE": { + "precomputed_msa_dir": "/path/to/msa_pairing/result/msa/2", + "pairing_db": "uniref100" + } + } + out_dir: the infer outout dir, default is `./output` + """ + + infer_jsons = generate_infer_jsons(protein_msa_res, ligand_file, seeds) + logger.info(f"will infer with {len(infer_jsons)} jsons") + if len(infer_jsons) == 0: + return + + infer_errors = {} + inference_configs["dump_dir"] = out_dir + inference_configs["input_json_path"] = infer_jsons[0] + runner = get_default_runner(seeds=seeds) + configs = runner.configs + for infer_json in tqdm.tqdm(infer_jsons): + try: + configs["input_json_path"] = infer_json + if not contain_msa_res(infer_json): + raise RuntimeError( + f"`{infer_json}` has no msa result for `proteinChain`, please add first." + ) + infer_predict(runner, configs) + except Exception as exc: + infer_errors[infer_json] = str(exc) + if len(infer_errors) > 0: + logger.warning(f"run inference failed: {infer_errors}") + + +@click.group() +def protenix_cli(): + return + + +@click.command() +@click.option("--input", type=str, help="json files or dir for inference") +@click.option("--out_dir", default="./output", type=str, help="infer result dir") +@click.option( + "--seeds", type=str, default="101", help="the inference seed, split by comma" +) +@click.option("--use_msa_server", is_flag=True, help="do msa search or not") +def predict(input, out_dir, seeds, use_msa_server): + """ + predict: Run predictions with protenix. + :param input, out_dir, use_msa_server + :return: + """ + init_logging() + logger.info( + f"run infer with input={input}, out_dir={out_dir}, use_msa_server={use_msa_server}" + ) + seeds = list(map(int, seeds.split(","))) + inference_jsons(input, out_dir, use_msa_server, seeds=seeds) + + +@click.command() +@click.option( + "--input", type=str, help="pdb or cif files to generate jsons for inference" +) +@click.option("--out_dir", type=str, default="./output", help="dir to save json files") +@click.option( + "--altloc", + default="first", + type=str, + help=" Select the first altloc conformation of each residue in the input file, \ + or specify the altloc letter for selection. For example, 'first', 'A', 'B', etc.", +) +@click.option( + "--assembly_id", + default=None, + type=str, + help="Extends the structure based on the Assembly ID in \ + the input file. The default is no extension", +) +def tojson(input, out_dir="./output", altloc="first", assembly_id=None): + """ + tojson: convert pdb/cif files or dir to json files for predict. + :param input, out_dir, altloc, assembly_id + :return: + """ + init_logging() + logger.info( + f"run tojson with input={input}, out_dir={out_dir}, altloc={altloc}, assembly_id={assembly_id}" + ) + input_files = [] + if not os.path.exists(input): + raise RuntimeError(f"input file {input} not exists.") + if os.path.isdir(input): + input_files.extend( + [str(file) for file in Path(input).rglob("*") if file.is_file()] + ) + elif os.path.isfile(input): + input_files.append(input) + else: + raise RuntimeError(f"can not read a special file: {input}") + + input_files = [ + file for file in input_files if file.endswith(".pdb") or file.endswith(".cif") + ] + if len(input_files) == 0: + raise RuntimeError(f"can not read a valid `pdb` or `cif` file from {input}") + logger.info( + f"will tojson jsons for {len(input_files)} input files with `pdb` or `cif` format." + ) + output_jsons = [] + os.makedirs(out_dir, exist_ok=True) + for input_file in input_files: + stem, _ = os.path.splitext(os.path.basename(input_file)) + pdb_name = stem[:20] + output_json = os.path.join(out_dir, f"{pdb_name}-{uuid.uuid4().hex}.json") + if input_file.endswith(".pdb"): + with tempfile.NamedTemporaryFile(suffix=".cif") as tmp: + tmp_cif_file = tmp.name + pdb_to_cif(input_file, tmp_cif_file) + cif_to_input_json( + tmp_cif_file, + assembly_id=assembly_id, + altloc=altloc, + sample_name=pdb_name, + output_json=output_json, + ) + elif input_file.endswith(".cif"): + cif_to_input_json( + input_file, + assembly_id=assembly_id, + altloc=altloc, + output_json=output_json, + ) + else: + raise RuntimeError(f"can not read a special ligand_file: {input_file}") + output_jsons.append(output_json) + logger.info(f"{len(output_jsons)} generated jsons have been save to {out_dir}.") + return output_jsons + + +@click.command() +@click.option( + "--input", type=str, help="file to do msa search, support `json` or `fasta` format" +) +@click.option("--out_dir", type=str, default="./output", help="dir to save msa results") +def msa(input, out_dir) -> Union[str, dict]: + """ + msa: do msa search by mmseqs. If input is in `fasta`, it should all be proteinChain. + :param input, out_dir + :return: + """ + init_logging() + out_dir = os.path.join(out_dir, uuid.uuid4().hex) + os.makedirs(out_dir, exist_ok=True) + logger.info(f"run msa with input={input}, out_dir={out_dir}") + if input.endswith(".json"): + msa_input_json = msa_search_update(input, out_dir) + logger.info(f"msa results have been update to {msa_input_json}") + return msa_input_json + elif input.endswith(".fasta"): + records = list(SeqIO.parse(input, "fasta")) + protein_seqs = [] + for seq in records: + protein_seqs.append(str(seq.seq)) + protein_seqs = sorted(protein_seqs) + msa_res_subdirs = msa_search(protein_seqs, out_dir) + assert len(msa_res_subdirs) == len(msa_res_subdirs), "msa search failed" + fasta_msa_res = dict(zip(protein_seqs, msa_res_subdirs)) + logger.info( + f"msa result is: {fasta_msa_res}, and it has been save to {out_dir}" + ) + return fasta_msa_res + else: + raise RuntimeError(f"only support `json` or `fasta` format, but got : {input}") + + +protenix_cli.add_command(predict) +protenix_cli.add_command(tojson) +protenix_cli.add_command(msa) + + +def test_batch_inference(): + ligands_dir = "../examples/ligands" + protein_msa_res = { + "MASWSHPQFEKGGTHVAETSAPTRSEPDTRVLTLPGTASAPEFRLIDIDGLLNNRATTDVRDLGSGRLNAWGNSFPAAELPAPGSLITVAGIPFTWANAHARGDNIRCEGQVVDIPPGQYDWIYLLAASERRSEDTIWAHYDDGHADPLRVGISDFLDGTPAFGELSAFRTSRMHYPHHVQEGLPTTMWLTRVGMPRHGVARSLRLPRSVAMHVFALTLRTAAAVRLAEGATT": { + "precomputed_msa_dir": "../examples/7wux/msa/1", + "pairing_db": "uniref100", + }, + "MGSSHHHHHHSQDPNSTTTAPPVELWTRDLGSCLHGTLATALIRDGHDPVTVLGAPWEFRRRPGAWSSEEYFFFAEPDSLAGRLALYHPFESTWHRSDGDGVDDLREALAAGVLPIAAVDNFHLPFRPAFHDVHAAHLLVVYRITETEVYVSDAQPPAFQGAIPLADFLASWGSLNPPDDADVFFSASPSGRRWLRTRMTGPVPEPDRHWVGRVIRENVARYRQEPPADTQTGLPGLRRYLDELCALTPGTNAASEALSELYVISWNIQAQSGLHAEFLRAHSVKWRIPELAEAAAGVDAVAHGWTGVRMTGAHSRVWQRHRPAELRGHATALVRRLEAALDLLELAADAVS": { + "precomputed_msa_dir": "../examples/7wux/msa/2", + "pairing_db": "uniref100", + }, + } + out_dir = "./infer_output" + batch_inference(protein_msa_res, ligands_dir, out_dir=out_dir) + + +if __name__ == "__main__": + init_logging() + test_batch_inference() diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/dumper.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/dumper.py new file mode 100644 index 0000000000000000000000000000000000000000..56222fc2bf740663805be4231ad49692f6ea5f64 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/dumper.py @@ -0,0 +1,204 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import os +from pathlib import Path + +import numpy as np +import torch +from biotite.structure import AtomArray + +from protenix.data.utils import save_structure_cif +from protenix.utils.file_io import save_json +from protenix.utils.torch_utils import round_values + + +def get_clean_full_confidence(full_confidence_dict: dict) -> dict: + """ + Clean and format the full confidence dictionary by removing unnecessary keys and rounding values. + + Args: + full_confidence_dict (dict): The dictionary containing full confidence data. + + Returns: + dict: The cleaned and formatted dictionary. + """ + # Remove atom_coordinate + full_confidence_dict.pop("atom_coordinate") + # Remove atom_is_polymer + full_confidence_dict.pop("atom_is_polymer") + # Keep two decimal places + full_confidence_dict = round_values(full_confidence_dict) + return full_confidence_dict + + +class DataDumper: + def __init__(self, base_dir, need_atom_confidence: bool = False): + self.base_dir = base_dir + self.need_atom_confidence = need_atom_confidence + + def dump( + self, + dataset_name: str, + pdb_id: str, + seed: int, + pred_dict: dict, + atom_array: AtomArray, + entity_poly_type: dict[str, str], + ): + """ + Dump the predictions and related data to the specified directory. + + Args: + dataset_name (str): The name of the dataset. + pdb_id (str): The PDB ID of the sample. + seed (int): The seed used for randomization. + pred_dict (dict): The dictionary containing the predictions. + atom_array (AtomArray): The AtomArray object containing the structure data. + entity_poly_type (dict[str, str]): The entity poly type information. + """ + dump_dir = self._get_dump_dir(dataset_name, pdb_id, seed) + Path(dump_dir).mkdir(parents=True, exist_ok=True) + + self.dump_predictions( + pred_dict=pred_dict, + dump_dir=dump_dir, + pdb_id=pdb_id, + atom_array=atom_array, + entity_poly_type=entity_poly_type, + seed=seed, + ) + + def _get_dump_dir(self, dataset_name: str, sample_name: str, seed: int) -> str: + """ + Generate the directory path for dumping data based on the dataset name, sample name, and seed. + """ + dump_dir = os.path.join( + self.base_dir, dataset_name, sample_name, f"seed_{seed}" + ) + return dump_dir + + def dump_predictions( + self, + pred_dict: dict, + dump_dir: str, + pdb_id: str, + atom_array: AtomArray, + entity_poly_type: dict[str, str], + seed: int, + ): + """ + Dump raw predictions from the model: + structure: Save the predicted coordinates as CIF files. + confidence: Save the confidence data as JSON files. + """ + prediction_save_dir = os.path.join(dump_dir, "predictions") + os.makedirs(prediction_save_dir, exist_ok=True) + + # Dump structure + b_factor = None + if "full_data" in pred_dict: + all_atom_plddt = [] + # len(pred_dict["full_data"]) == N_sample + for each_sample_dict in pred_dict["full_data"]: + if "atom_plddt" in each_sample_dict: + # atom_plddt.shape == [N_atom] + atom_plddt = each_sample_dict["atom_plddt"] + if atom_plddt.dtype == torch.bfloat16: + atom_plddt = atom_plddt.to(torch.float32) + all_atom_plddt.append(atom_plddt.cpu().numpy() * 100.0) + + if len(all_atom_plddt) == len(pred_dict["full_data"]): + b_factor = all_atom_plddt + + self._save_structure( + pred_coordinates=pred_dict["coordinate"], + prediction_save_dir=prediction_save_dir, + sample_name=pdb_id, + atom_array=atom_array, + entity_poly_type=entity_poly_type, + seed=seed, + b_factor=b_factor, + ) + # Dump confidence + self._save_confidence( + data=pred_dict, + prediction_save_dir=prediction_save_dir, + sample_name=pdb_id, + seed=seed, + ) + + def _save_structure( + self, + pred_coordinates: torch.Tensor, + prediction_save_dir: str, + sample_name: str, + atom_array: AtomArray, + entity_poly_type: dict[str, str], + seed: int, + b_factor: torch.Tensor = None, + ): + assert atom_array is not None + N_sample = pred_coordinates.shape[0] + for sample_idx in range(N_sample): + output_fpath = os.path.join( + prediction_save_dir, + f"{sample_name}_seed_{seed}_sample_{sample_idx}.cif", + ) + if b_factor is not None: + # b_factor.shape == [N_sample, N_atom] + atom_array.set_annotation("b_factor", np.round(b_factor[sample_idx], 2)) + + save_structure_cif( + atom_array=atom_array, + pred_coordinate=pred_coordinates[sample_idx], + output_fpath=output_fpath, + entity_poly_type=entity_poly_type, + pdb_id=sample_name, + ) + + def _save_confidence( + self, + data: dict, + prediction_save_dir: str, + sample_name: str, + seed: int, + sorted_by_ranking_score: bool = True, + ): + N_sample = len(data["summary_confidence"]) + for idx in range(N_sample): + if self.need_atom_confidence: + data["full_data"][idx] = get_clean_full_confidence( + data["full_data"][idx] + ) + sorted_indices = range(N_sample) + if sorted_by_ranking_score: + sorted_indices = sorted( + range(N_sample), + key=lambda i: data["summary_confidence"][i]["ranking_score"], + reverse=True, + ) + + for rank, idx in enumerate(sorted_indices): + output_fpath = os.path.join( + prediction_save_dir, + f"{sample_name}_seed_{seed}_summary_confidence_sample_{rank}.json", + ) + save_json(data["summary_confidence"][idx], output_fpath, indent=4) + if self.need_atom_confidence: + output_fpath = os.path.join( + prediction_save_dir, + f"{sample_name}_full_data_sample_{idx}.json", + ) + save_json(data["full_data"][idx], output_fpath, indent=None) diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/ema.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/ema.py new file mode 100644 index 0000000000000000000000000000000000000000..5458678aaa564b3cf5b21a4a0771cb80ef68ec0e --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/ema.py @@ -0,0 +1,63 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import torch + + +class EMAWrapper(object): + """A wrapper class for exponential moving average of model weights.""" + + def __init__( + self, model: torch.nn.Module, decay: float = 0.999, mutable_param_keywords=None + ): + """ + model: a pytorch model to apply EMA + decay: a scaler to indicate the decay rate + mutable_param_keywords: keywords of parameters to apply EMA decay, other params will stay untouched + """ + self.model = model + self.decay = decay + self.mutable_param_keywords = [ + s.strip() for s in mutable_param_keywords if s.strip() + ] + self.shadow = {} + self.backup = {} + + def register(self): + for name, param in self.model.named_parameters(): + self.shadow[name] = param.data.clone() + + def update(self): + for name, param in self.model.named_parameters(): + if self.mutable_param_keywords and not any( + [keyword in name for keyword in self.mutable_param_keywords] + ): + continue + assert name in self.shadow + new_average = (1.0 - self.decay) * param.data + self.decay * self.shadow[ + name + ] + self.shadow[name] = new_average.clone() + + def apply_shadow(self): + for name, param in self.model.named_parameters(): + assert name in self.shadow + self.backup[name] = param.data + param.data = self.shadow[name] + + def restore(self): + for name, param in self.model.named_parameters(): + assert name in self.backup + param.data = self.backup[name] + self.backup = {} diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/inference.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/inference.py new file mode 100644 index 0000000000000000000000000000000000000000..4cb6a6cb13eb7c85936cc815049fa28dee0e3518 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/inference.py @@ -0,0 +1,313 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import logging +import os +import traceback +import urllib.request +from contextlib import nullcontext +from os.path import exists as opexists +from os.path import join as opjoin +from typing import Any, Mapping + +import torch +import torch.distributed as dist +from configs.configs_base import configs as configs_base +from configs.configs_data import data_configs +from configs.configs_inference import inference_configs +from runner.dumper import DataDumper +from runner.msa_search import contain_msa_res, msa_search_update + +from protenix.config import parse_configs, parse_sys_args +from protenix.data.infer_data_pipeline import get_inference_dataloader +from protenix.model.protenix import Protenix +from protenix.utils.distributed import DIST_WRAPPER +from protenix.utils.seed import seed_everything +from protenix.utils.torch_utils import to_device +from protenix.web_service.dependency_url import URL + +logger = logging.getLogger(__name__) + + +class InferenceRunner(object): + def __init__(self, configs: Any) -> None: + self.configs = configs + self.init_env() + self.init_basics() + self.init_model() + self.load_checkpoint() + self.init_dumper(need_atom_confidence=configs.need_atom_confidence) + + def init_env(self) -> None: + self.print( + f"Distributed environment: world size: {DIST_WRAPPER.world_size}, " + + f"global rank: {DIST_WRAPPER.rank}, local rank: {DIST_WRAPPER.local_rank}" + ) + self.use_cuda = torch.cuda.device_count() > 0 + if self.use_cuda: + self.device = torch.device("cuda:{}".format(DIST_WRAPPER.local_rank)) + os.environ["CUDA_DEVICE_ORDER"] = "PCI_BUS_ID" + all_gpu_ids = ",".join(str(x) for x in range(torch.cuda.device_count())) + devices = os.getenv("CUDA_VISIBLE_DEVICES", all_gpu_ids) + logging.info( + f"LOCAL_RANK: {DIST_WRAPPER.local_rank} - CUDA_VISIBLE_DEVICES: [{devices}]" + ) + torch.cuda.set_device(self.device) + else: + self.device = torch.device("cpu") + if DIST_WRAPPER.world_size > 1: + dist.init_process_group(backend="nccl") + if self.configs.use_deepspeed_evo_attention: + env = os.getenv("CUTLASS_PATH", None) + self.print(f"env: {env}") + assert ( + env is not None + ), "if use ds4sci, set `CUTLASS_PATH` env as https://www.deepspeed.ai/tutorials/ds4sci_evoformerattention/" + if env is not None: + logging.info( + "The kernels will be compiled when DS4Sci_EvoformerAttention is called for the first time." + ) + use_fastlayernorm = os.getenv("LAYERNORM_TYPE", None) + if use_fastlayernorm == "fast_layernorm": + logging.info( + "The kernels will be compiled when fast_layernorm is called for the first time." + ) + + logging.info("Finished init ENV.") + + def init_basics(self) -> None: + self.dump_dir = self.configs.dump_dir + self.error_dir = opjoin(self.dump_dir, "ERR") + os.makedirs(self.dump_dir, exist_ok=True) + os.makedirs(self.error_dir, exist_ok=True) + + def init_model(self) -> None: + self.model = Protenix(self.configs).to(self.device) + + def load_checkpoint(self) -> None: + checkpoint_path = self.configs.load_checkpoint_path + if not os.path.exists(checkpoint_path): + raise Exception(f"Given checkpoint path not exist [{checkpoint_path}]") + self.print( + f"Loading from {checkpoint_path}, strict: {self.configs.load_strict}" + ) + checkpoint = torch.load(checkpoint_path, self.device) + + sample_key = [k for k in checkpoint["model"].keys()][0] + self.print(f"Sampled key: {sample_key}") + if sample_key.startswith("module."): # DDP checkpoint has module. prefix + checkpoint["model"] = { + k[len("module.") :]: v for k, v in checkpoint["model"].items() + } + self.model.load_state_dict( + state_dict=checkpoint["model"], + strict=True, + ) + self.model.eval() + self.print(f"Finish loading checkpoint.") + + def init_dumper(self, need_atom_confidence: bool = False): + self.dumper = DataDumper( + base_dir=self.dump_dir, need_atom_confidence=need_atom_confidence + ) + + # Adapted from runner.train.Trainer.evaluate + @torch.no_grad() + def predict(self, data: Mapping[str, Mapping[str, Any]]) -> dict[str, torch.Tensor]: + eval_precision = { + "fp32": torch.float32, + "bf16": torch.bfloat16, + "fp16": torch.float16, + }[self.configs.dtype] + + enable_amp = ( + torch.autocast(device_type="cuda", dtype=eval_precision) + if torch.cuda.is_available() + else nullcontext() + ) + + data = to_device(data, self.device) + with enable_amp: + prediction, _, _ = self.model( + input_feature_dict=data["input_feature_dict"], + label_full_dict=None, + label_dict=None, + mode="inference", + ) + + return prediction + + def print(self, msg: str): + if DIST_WRAPPER.rank == 0: + logger.info(msg) + + def update_model_configs(self, new_configs: Any) -> None: + self.model.configs = new_configs + + +def download_infercence_cache(configs: Any, model_version: str = "v0.2.0") -> None: + current_file_path = os.path.abspath(__file__) + current_directory = os.path.dirname(current_file_path) + code_directory = os.path.dirname(current_directory) + + data_cache_dir = os.path.join(code_directory, "release_data/ccd_cache") + os.makedirs(data_cache_dir, exist_ok=True) + for cache_name, fname in [ + ("ccd_components_file", "components.v20240608.cif"), + ("ccd_components_rdkit_mol_file", "components.v20240608.cif.rdkit_mol.pkl"), + ]: + if not opexists(cache_path := os.path.abspath(opjoin(data_cache_dir, fname))): + tos_url = URL[cache_name] + logger.info(f"Downloading data cache from\n {tos_url}...") + urllib.request.urlretrieve(tos_url, cache_path) + + checkpoint_path = configs.load_checkpoint_path + + if not opexists(checkpoint_path): + checkpoint_path = os.path.join( + code_directory, f"release_data/checkpoint/model_{model_version}.pt" + ) + os.makedirs(os.path.dirname(checkpoint_path), exist_ok=True) + tos_url = URL[f"model_{model_version}"] + logger.info(f"Downloading model checkpoint from\n {tos_url}...") + urllib.request.urlretrieve(tos_url, checkpoint_path) + try: + ckpt = torch.load(checkpoint_path) + del ckpt + except: + os.remove(checkpoint_path) + raise RuntimeError( + "Download model checkpoint failed, please download by yourself with " + f"wget {tos_url} -O {checkpoint_path}" + ) + configs.load_checkpoint_path = checkpoint_path + + +def update_inference_configs(configs: Any, N_token: int): + # Setting the default inference configs for different N_token and N_atom + # when N_token is larger than 3000, the default config might OOM even on a + # A100 80G GPUS, + if N_token > 3840: + configs.skip_amp.confidence_head = False + configs.skip_amp.sample_diffusion = False + elif N_token > 2560: + configs.skip_amp.confidence_head = False + configs.skip_amp.sample_diffusion = True + else: + configs.skip_amp.confidence_head = True + configs.skip_amp.sample_diffusion = True + return configs + + +def infer_predict(runner: InferenceRunner, configs: Any) -> None: + # update msa result if not contains precomputed msa dir + if not contain_msa_res(configs.input_json_path): + logger.info( + f"{configs.input_json_path} dose not contain precomputed msa dir, now searching it." + ) + configs.input_json_path = msa_search_update( + configs.input_json_path, configs.dump_dir + ) + logger.info( + f"msa searching completed, new input json is {configs.input_json_path}" + ) + # Data + logger.info(f"Loading data from\n{configs.input_json_path}") + dataloader = get_inference_dataloader(configs=configs) + + num_data = len(dataloader.dataset) + for seed in configs.seeds: + seed_everything(seed=seed, deterministic=True) + for batch in dataloader: + try: + data, atom_array, data_error_message = batch[0] + + if len(data_error_message) > 0: + logger.info(data_error_message) + with open( + opjoin(runner.error_dir, f"{data['sample_name']}.txt"), + "w", + ) as f: + f.write(data_error_message) + continue + + sample_name = data["sample_name"] + logger.info( + ( + f"[Rank {DIST_WRAPPER.rank} ({data['sample_index'] + 1}/{num_data})] {sample_name}: " + f"N_asym {data['N_asym'].item()}, N_token {data['N_token'].item()}, " + f"N_atom {data['N_atom'].item()}, N_msa {data['N_msa'].item()}" + ) + ) + new_configs = update_inference_configs(configs, data["N_token"].item()) + runner.update_model_configs(new_configs) + prediction = runner.predict(data) + runner.dumper.dump( + dataset_name="", + pdb_id=sample_name, + seed=seed, + pred_dict=prediction, + atom_array=atom_array, + entity_poly_type=data["entity_poly_type"], + ) + + logger.info( + f"[Rank {DIST_WRAPPER.rank}] {data['sample_name']} succeeded.\n" + f"Results saved to {configs.dump_dir}" + ) + torch.cuda.empty_cache() + except Exception as e: + error_message = f"[Rank {DIST_WRAPPER.rank}]{data['sample_name']} {e}:\n{traceback.format_exc()}" + logger.info(error_message) + # Save error info + if opexists( + error_path := opjoin(runner.error_dir, f"{sample_name}.txt") + ): + os.remove(error_path) + with open(error_path, "w") as f: + f.write(error_message) + if hasattr(torch.cuda, "empty_cache"): + torch.cuda.empty_cache() + raise RuntimeError(f"run infer failed: {str(e)}") + + +def main(configs: Any) -> None: + # Runner + runner = InferenceRunner(configs) + infer_predict(runner, configs) + + +def run() -> None: + LOG_FORMAT = "%(asctime)s,%(msecs)-3d %(levelname)-8s [%(filename)s:%(lineno)s %(funcName)s] %(message)s" + logging.basicConfig( + format=LOG_FORMAT, + level=logging.INFO, + datefmt="%Y-%m-%d %H:%M:%S", + filemode="w", + ) + configs_base["use_deepspeed_evo_attention"] = ( + os.environ.get("USE_DEEPSPEED_EVO_ATTTENTION", False) == "true" + ) + configs = {**configs_base, **{"data": data_configs}, **inference_configs} + configs = parse_configs( + configs=configs, + arg_str=parse_sys_args(), + fill_required_with_null=True, + ) + download_infercence_cache(configs, model_version="v0.2.0") + main(configs) + + +if __name__ == "__main__": + run() diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/msa_search.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/msa_search.py new file mode 100644 index 0000000000000000000000000000000000000000..4c1008c95d2871470aa11b71783a313bd7c7442f --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/msa_search.py @@ -0,0 +1,100 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. +import json +import os +import uuid +from typing import Sequence + +from protenix.utils.logger import get_logger +from protenix.web_service.colab_request_parser import RequestParser + +logger = get_logger(__name__) + + +def contain_msa_res(json_file: str) -> bool: + """ + check the json_path data has msa result or not. + """ + if not os.path.exists(json_file): + raise RuntimeError(f"`{json_file}` not exists.") + with open(json_file, "r") as f: + json_data = json.load(f) + for seq in json_data: + for sequence in seq["sequences"]: + if "proteinChain" in sequence.keys(): + proteinChain = sequence["proteinChain"] + if "msa" not in proteinChain.keys() or len(proteinChain["msa"]) == 0: + return False + return True + + +def update_msa_res(seq: dict, protein_msa_res: dict) -> dict: + for sequence in seq["sequences"]: + if "proteinChain" in sequence.keys(): + sequence["proteinChain"]["msa"] = { + "precomputed_msa_dir": protein_msa_res[ + sequence["proteinChain"]["sequence"] + ], + "pairing_db": "uniref100", + } + return seq + + +def msa_search(seqs: Sequence[str], msa_res_dir: str) -> Sequence[str]: + """ + do msa search with mmseqs and return result subdirs. + """ + os.makedirs(msa_res_dir, exist_ok=True) + tmp_fasta_fpath = os.path.join(msa_res_dir, f"tmp_{uuid.uuid4().hex}.fasta") + RequestParser.msa_search( + seqs_pending_msa=seqs, + tmp_fasta_fpath=tmp_fasta_fpath, + msa_res_dir=msa_res_dir, + ) + msa_res_subdirs = RequestParser.msa_postprocess( + seqs_pending_msa=seqs, + msa_res_dir=msa_res_dir, + ) + return msa_res_subdirs + + +def msa_search_update(json_file: str, out_dir: str) -> str: + """ + do msa search with mmseqs from json input and update it. + """ + assert os.path.exists(json_file), f"input file {json_file} not exists." + if contain_msa_res(json_file): + logger.warning(f"{json_file} has already msa result, skip.") + return json_file + with open(json_file, "r") as f: + input_json_data = json.load(f) + for seq_idx, seq in enumerate(input_json_data): + protein_seqs = [] + for sequence in seq["sequences"]: + if "proteinChain" in sequence.keys(): + protein_seqs.append(sequence["proteinChain"]["sequence"]) + if len(protein_seqs) > 0: + protein_seqs = sorted(protein_seqs) + msa_res_subdirs = msa_search( + protein_seqs, os.path.join(out_dir, f"msa_seq_{seq_idx}") + ) + assert len(msa_res_subdirs) == len(msa_res_subdirs), "msa search failed" + update_msa_res(seq, dict(zip(protein_seqs, msa_res_subdirs))) + msa_input_json = os.path.join( + os.path.dirname(json_file), + f"{os.path.splitext(os.path.basename(json_file))[0]}-add-msa.json", + ) + with open(msa_input_json, "w") as f: + json.dump(input_json_data, f, indent=4) + return msa_input_json diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/train.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/train.py new file mode 100644 index 0000000000000000000000000000000000000000..d96f6bf8ca500aea227169ea77c7dbe6fb06e0c9 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/runner/train.py @@ -0,0 +1,570 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +import datetime +import logging +import os +import time +from contextlib import nullcontext + +import torch +import torch.distributed as dist +import wandb +from torch.nn.parallel import DistributedDataParallel as DDP +from tqdm import tqdm + +from configs.configs_base import configs as configs_base +from configs.configs_data import data_configs +from protenix.config import parse_configs, parse_sys_args +from protenix.config.config import save_config +from protenix.data.dataloader import get_dataloaders +from protenix.metrics.lddt_metrics import LDDTMetrics +from protenix.model.loss import ProtenixLoss +from protenix.model.protenix import Protenix +from protenix.utils.distributed import DIST_WRAPPER +from protenix.utils.lr_scheduler import get_lr_scheduler +from protenix.utils.metrics import SimpleMetricAggregator +from protenix.utils.permutation.permutation import SymmetricPermutation +from protenix.utils.seed import seed_everything +from protenix.utils.torch_utils import autocasting_disable_decorator, to_device +from protenix.utils.training import get_optimizer, is_loss_nan_check +from runner.ema import EMAWrapper + +# Disable WANDB's console output capture to reduce unnecessary logging +os.environ["WANDB_CONSOLE"] = "off" + + +class AF3Trainer(object): + def __init__(self, configs): + self.configs = configs + self.init_env() + self.init_basics() + self.init_log() + self.init_model() + self.init_loss() + self.init_data() + self.try_load_checkpoint() + + def init_basics(self): + # Step means effective step considering accumulation + self.step = 0 + # Global_step equals to self.step * self.iters_to_accumulate + self.global_step = 0 + self.start_step = 0 + # Add for grad accumulation, it can increase real batch size + self.iters_to_accumulate = self.configs.iters_to_accumulate + + self.run_name = self.configs.run_name + "_" + time.strftime("%Y%m%d_%H%M%S") + run_names = DIST_WRAPPER.all_gather_object( + self.run_name if DIST_WRAPPER.rank == 0 else None + ) + self.run_name = [name for name in run_names if name is not None][0] + self.run_dir = f"{self.configs.base_dir}/{self.run_name}" + self.checkpoint_dir = f"{self.run_dir}/checkpoints" + self.prediction_dir = f"{self.run_dir}/predictions" + self.structure_dir = f"{self.run_dir}/structures" + self.dump_dir = f"{self.run_dir}/dumps" + self.error_dir = f"{self.run_dir}/errors" + + if DIST_WRAPPER.rank == 0: + os.makedirs(self.run_dir) + os.makedirs(self.checkpoint_dir) + os.makedirs(self.prediction_dir) + os.makedirs(self.structure_dir) + os.makedirs(self.dump_dir) + os.makedirs(self.error_dir) + save_config( + self.configs, + os.path.join(self.configs.base_dir, self.run_name, "config.yaml"), + ) + + self.print( + f"Using run name: {self.run_name}, run dir: {self.run_dir}, checkpoint_dir: " + + f"{self.checkpoint_dir}, prediction_dir: {self.prediction_dir}, structure_dir: " + + f"{self.structure_dir}, error_dir: {self.error_dir}" + ) + + def init_log(self): + if self.configs.use_wandb and DIST_WRAPPER.rank == 0: + wandb.init( + project=self.configs.project, + name=self.run_name, + config=vars(self.configs), + id=self.configs.wandb_id or None, + ) + self.train_metric_wrapper = SimpleMetricAggregator(["avg"]) + + def init_env(self): + """Init pytorch/cuda envs.""" + logging.info( + f"Distributed environment: world size: {DIST_WRAPPER.world_size}, " + + f"global rank: {DIST_WRAPPER.rank}, local rank: {DIST_WRAPPER.local_rank}" + ) + self.use_cuda = torch.cuda.device_count() > 0 + if self.use_cuda: + self.device = torch.device("cuda:{}".format(DIST_WRAPPER.local_rank)) + os.environ["CUDA_DEVICE_ORDER"] = "PCI_BUS_ID" + all_gpu_ids = ",".join(str(x) for x in range(torch.cuda.device_count())) + devices = os.getenv("CUDA_VISIBLE_DEVICES", all_gpu_ids) + logging.info( + f"LOCAL_RANK: {DIST_WRAPPER.local_rank} - CUDA_VISIBLE_DEVICES: [{devices}]" + ) + torch.cuda.set_device(self.device) + else: + self.device = torch.device("cpu") + if DIST_WRAPPER.world_size > 1: + timeout_seconds = int(os.environ.get("NCCL_TIMEOUT_SECOND", 600)) + dist.init_process_group( + backend="nccl", timeout=datetime.timedelta(seconds=timeout_seconds) + ) + # All ddp process got the same seed + seed_everything( + seed=self.configs.seed, + deterministic=self.configs.deterministic, + ) + + if self.configs.use_deepspeed_evo_attention: + env = os.getenv("CUTLASS_PATH", None) + print(f"env: {env}") + assert ( + env is not None + ), "if use ds4sci, set env as https://www.deepspeed.ai/tutorials/ds4sci_evoformerattention/" + logging.info("Finished init ENV.") + + def init_loss(self): + self.loss = ProtenixLoss(self.configs) + self.symmetric_permutation = SymmetricPermutation( + self.configs, error_dir=self.error_dir + ) + self.lddt_metrics = LDDTMetrics(self.configs) + + def init_model(self): + self.raw_model = Protenix(self.configs).to(self.device) + self.use_ddp = False + if DIST_WRAPPER.world_size > 1: + self.print(f"Using DDP") + self.use_ddp = True + # Fix DDP/checkpoint https://discuss.pytorch.org/t/ddp-and-gradient-checkpointing/132244 + self.model = DDP( + self.raw_model, + find_unused_parameters=self.configs.find_unused_parameters, + device_ids=[DIST_WRAPPER.local_rank], + output_device=DIST_WRAPPER.local_rank, + static_graph=True, + ) + else: + self.model = self.raw_model + + if self.configs.get("ema_decay", -1) > 0: + assert self.configs.ema_decay < 1 + self.ema_wrapper = EMAWrapper( + self.model, + self.configs.ema_decay, + self.configs.ema_mutable_param_keywords, + ) + self.ema_wrapper.register() + + torch.cuda.empty_cache() + self.optimizer = get_optimizer(self.configs, self.model) + self.init_scheduler() + + def init_scheduler(self, **kwargs): + self.lr_scheduler = get_lr_scheduler(self.configs, self.optimizer, **kwargs) + + def init_data(self): + self.train_dl, self.test_dls = get_dataloaders( + self.configs, + DIST_WRAPPER.world_size, + seed=self.configs.seed, + error_dir=self.error_dir, + ) + + def save_checkpoint(self, ema_suffix=""): + if DIST_WRAPPER.rank == 0: + path = f"{self.checkpoint_dir}/{self.step}{ema_suffix}.pt" + checkpoint = { + "model": self.model.state_dict(), + "optimizer": self.optimizer.state_dict(), + "scheduler": ( + self.lr_scheduler.state_dict() + if self.lr_scheduler is not None + else None + ), + "step": self.step, + } + torch.save(checkpoint, path) + self.print(f"Saved checkpoint to {path}") + + def try_load_checkpoint(self): + + def _load_checkpoint( + checkpoint_path: str, + load_params_only: bool, + skip_load_optimizer: bool = False, + skip_load_step: bool = False, + skip_load_scheduler: bool = False, + ): + if not os.path.exists(checkpoint_path): + raise Exception(f"Given checkpoint path not exist [{checkpoint_path}]") + self.print( + f"Loading from {checkpoint_path}, strict: {self.configs.load_strict}" + ) + checkpoint = torch.load(checkpoint_path, self.device) + sample_key = [k for k in checkpoint["model"].keys()][0] + self.print(f"Sampled key: {sample_key}") + if sample_key.startswith("module.") and not self.use_ddp: + # DDP checkpoint has module. prefix + checkpoint["model"] = { + k[len("module.") :]: v for k, v in checkpoint["model"].items() + } + + self.model.load_state_dict( + state_dict=checkpoint["model"], + strict=self.configs.load_strict, + ) + if not load_params_only: + if not skip_load_optimizer: + self.print(f"Loading optimizer state") + self.optimizer.load_state_dict(checkpoint["optimizer"]) + if not skip_load_step: + self.print(f"Loading checkpoint step") + self.step = checkpoint["step"] + 1 + self.start_step = self.step + self.global_step = self.step * self.iters_to_accumulate + if not skip_load_scheduler: + self.print(f"Loading scheduler state") + self.lr_scheduler.load_state_dict(checkpoint["scheduler"]) + else: + # reinitialize LR scheduler using the updated optimizer and step + self.init_scheduler(last_epoch=self.step - 1) + self.print(f"Finish loading checkpoint, current step: {self.step}") + + # Load EMA model parameters + if self.configs.load_ema_checkpoint_path: + _load_checkpoint( + self.configs.load_ema_checkpoint_path, + load_params_only=True, + ) + self.ema_wrapper.register() + + # Load model + if self.configs.load_checkpoint_path: + _load_checkpoint( + self.configs.load_checkpoint_path, + self.configs.load_params_only, + skip_load_optimizer=self.configs.skip_load_optimizer, + skip_load_scheduler=self.configs.skip_load_scheduler, + skip_load_step=self.configs.skip_load_step, + ) + + def print(self, msg: str): + if DIST_WRAPPER.rank == 0: + logging.info(msg) + + def model_forward(self, batch: dict, mode: str = "train") -> tuple[dict, dict]: + assert mode in ["train", "eval"] + batch["pred_dict"], batch["label_dict"], log_dict = self.model( + input_feature_dict=batch["input_feature_dict"], + label_dict=batch["label_dict"], + label_full_dict=batch["label_full_dict"], + mode=mode, + current_step=self.step if mode == "train" else None, + symmetric_permutation=self.symmetric_permutation, + ) + return batch, log_dict + + def get_loss( + self, batch: dict, mode: str = "train" + ) -> tuple[torch.Tensor, dict, dict]: + assert mode in ["train", "eval"] + + loss, loss_dict = autocasting_disable_decorator(self.configs.skip_amp.loss)( + self.loss + )( + feat_dict=batch["input_feature_dict"], + pred_dict=batch["pred_dict"], + label_dict=batch["label_dict"], + mode=mode, + ) + return loss, loss_dict, batch + + @torch.no_grad() + def get_metrics(self, batch: dict) -> dict: + + lddt_dict = self.lddt_metrics.compute_lddt( + batch["pred_dict"], batch["label_dict"] + ) + + return lddt_dict + + @torch.no_grad() + def aggregate_metrics(self, lddt_dict: dict, batch: dict) -> dict: + + simple_metrics, _ = self.lddt_metrics.aggregate_lddt( + lddt_dict, batch["pred_dict"]["summary_confidence"] + ) + + return simple_metrics + + @torch.no_grad() + def evaluate(self, mode: str = "eval"): + if not self.configs.eval_ema_only: + self._evaluate() + if hasattr(self, "ema_wrapper"): + self.ema_wrapper.apply_shadow() + self._evaluate(ema_suffix=f"ema{self.ema_wrapper.decay}_", mode=mode) + self.ema_wrapper.restore() + + @torch.no_grad() + def _evaluate(self, ema_suffix: str = "", mode: str = "eval"): + # Init Metric Aggregator + simple_metric_wrapper = SimpleMetricAggregator(["avg"]) + eval_precision = { + "fp32": torch.float32, + "bf16": torch.bfloat16, + "fp16": torch.float16, + }[self.configs.dtype] + enable_amp = ( + torch.autocast(device_type="cuda", dtype=eval_precision) + if torch.cuda.is_available() + else nullcontext() + ) + self.model.eval() + + for test_name, test_dl in self.test_dls.items(): + self.print(f"Testing on {test_name}") + evaluated_pids = [] + total_batch_num = len(test_dl) + for index, batch in enumerate(tqdm(test_dl)): + batch = to_device(batch, self.device) + pid = batch["basic"]["pdb_id"] + + if index + 1 == total_batch_num and DIST_WRAPPER.world_size > 1: + # Gather all pids across ranks for avoiding duplicated evaluations when drop_last = False + all_data_ids = DIST_WRAPPER.all_gather_object(evaluated_pids) + dedup_ids = set(sum(all_data_ids, [])) + if pid in dedup_ids: + print( + f"Rank {DIST_WRAPPER.rank}: Drop data_id {pid} as it is already evaluated." + ) + break + evaluated_pids.append(pid) + + simple_metrics = {} + with enable_amp: + # Model forward + batch, _ = self.model_forward(batch, mode=mode) + # Loss forward + loss, loss_dict, batch = self.get_loss(batch, mode="eval") + # lDDT metrics + lddt_dict = self.get_metrics(batch) + lddt_metrics = self.aggregate_metrics(lddt_dict, batch) + simple_metrics.update( + {k: v for k, v in lddt_metrics.items() if "diff" not in k} + ) + simple_metrics.update(loss_dict) + + # Metrics + for key, value in simple_metrics.items(): + simple_metric_wrapper.add( + f"{ema_suffix}{key}", value, namespace=test_name + ) + + del batch, simple_metrics + if index % 5 == 0: + # Release some memory periodically + torch.cuda.empty_cache() + + metrics = simple_metric_wrapper.calc() + self.print(f"Step {self.step}, eval {test_name}: {metrics}") + if self.configs.use_wandb and DIST_WRAPPER.rank == 0: + wandb.log(metrics, step=self.step) + + def update(self): + # Clip the gradient + if self.configs.grad_clip_norm != 0.0: + torch.nn.utils.clip_grad_norm_( + self.model.parameters(), self.configs.grad_clip_norm + ) + + def train_step(self, batch: dict): + self.model.train() + # FP16 training has not been verified yet + train_precision = { + "fp32": torch.float32, + "bf16": torch.bfloat16, + "fp16": torch.float16, + }[self.configs.dtype] + enable_amp = ( + torch.autocast( + device_type="cuda", dtype=train_precision, cache_enabled=False + ) + if torch.cuda.is_available() + else nullcontext() + ) + + scaler = torch.GradScaler( + device="cuda" if torch.cuda.is_available() else "cpu", + enabled=(self.configs.dtype == "float16"), + ) + + with enable_amp: + batch, _ = self.model_forward(batch, mode="train") + loss, loss_dict, _ = self.get_loss(batch, mode="train") + + if self.configs.dtype in ["bf16", "fp32"]: + if is_loss_nan_check(loss): + self.print(f"Skip iteration with NaN loss: {self.step} steps") + loss = torch.tensor(0.0, device=loss.device, requires_grad=True) + scaler.scale(loss / self.iters_to_accumulate).backward() + + # For simplicity, the global training step is used + if (self.global_step + 1) % self.iters_to_accumulate == 0: + self.print( + f"self.step {self.step}, self.iters_to_accumulate: {self.iters_to_accumulate}" + ) + # Unscales the gradients of optimizer's assigned parameters in-place + scaler.unscale_(self.optimizer) + # Do grad clip only + self.update() + scaler.step(self.optimizer) + scaler.update() + self.optimizer.zero_grad(set_to_none=True) + self.lr_scheduler.step() + for key, value in loss_dict.items(): + if "loss" not in key: + continue + self.train_metric_wrapper.add(key, value, namespace="train") + torch.cuda.empty_cache() + + def progress_bar(self, desc: str = ""): + if DIST_WRAPPER.rank != 0: + return + if self.global_step % ( + self.configs.eval_interval * self.iters_to_accumulate + ) == 0 or (not hasattr(self, "_ipbar")): + # Start a new progress bar + self._pbar = tqdm( + range( + self.global_step + % (self.iters_to_accumulate * self.configs.eval_interval), + self.iters_to_accumulate * self.configs.eval_interval, + ) + ) + self._ipbar = iter(self._pbar) + + step = next(self._ipbar) + self._pbar.set_description( + f"[step {self.step}: {step}/{self.iters_to_accumulate * self.configs.eval_interval}] {desc}" + ) + return + + def run(self): + """ + Main entry for the AF3Trainer. + + This function handles the training process, evaluation, logging, and checkpoint saving. + """ + if self.configs.eval_only or self.configs.eval_first: + self.evaluate() + if self.configs.eval_only: + return + use_ema = hasattr(self, "ema_wrapper") + self.print(f"Using ema: {use_ema}") + + while True: + for batch in self.train_dl: + is_update_step = (self.global_step + 1) % self.iters_to_accumulate == 0 + is_last_step = (self.step + 1) == self.configs.max_steps + step_need_log = (self.step + 1) % self.configs.log_interval == 0 + + step_need_eval = ( + self.configs.eval_interval > 0 + and (self.step + 1) % self.configs.eval_interval == 0 + ) + step_need_save = ( + self.configs.checkpoint_interval > 0 + and (self.step + 1) % self.configs.checkpoint_interval == 0 + ) + + is_last_step &= is_update_step + step_need_log &= is_update_step + step_need_eval &= is_update_step + step_need_save &= is_update_step + + batch = to_device(batch, self.device) + self.progress_bar() + self.train_step(batch) + if use_ema: + self.ema_wrapper.update() + if step_need_log or is_last_step: + metrics = self.train_metric_wrapper.calc() + self.print(f"Step {self.step} train: {metrics}") + last_lr = self.lr_scheduler.get_last_lr()[0] + if DIST_WRAPPER.rank == 0: + if self.configs.use_wandb: + wandb.log( + {"train/lr": last_lr}, + step=self.step, + ) + self.print(f"Step {self.step}, lr: {last_lr}") + if self.configs.use_wandb and DIST_WRAPPER.rank == 0: + wandb.log(metrics, step=self.step) + + if step_need_save or is_last_step: + self.save_checkpoint() + if use_ema: + self.ema_wrapper.apply_shadow() + self.save_checkpoint( + ema_suffix=f"_ema_{self.ema_wrapper.decay}" + ) + self.ema_wrapper.restore() + + if step_need_eval or is_last_step: + self.evaluate() + self.global_step += 1 + if self.global_step % self.iters_to_accumulate == 0: + self.step += 1 + if self.step >= self.configs.max_steps: + self.print(f"Finish training after {self.step} steps") + break + if self.step >= self.configs.max_steps: + break + + +def main(): + LOG_FORMAT = "%(asctime)s,%(msecs)-3d %(levelname)-8s [%(filename)s:%(lineno)s %(funcName)s] %(message)s" + logging.basicConfig( + format=LOG_FORMAT, + level=logging.INFO, + datefmt="%Y-%m-%d %H:%M:%S", + filemode="w", + ) + configs_base["use_deepspeed_evo_attention"] = ( + os.environ.get("USE_DEEPSPEED_EVO_ATTTENTION", False) == "true" + ) + configs = {**configs_base, **{"data": data_configs}} + configs = parse_configs( + configs, + parse_sys_args(), + ) + + print(configs.run_name) + print(configs) + trainer = AF3Trainer(configs) + trainer.run() + + +if __name__ == "__main__": + main() diff --git a/benchmarks/FoldBench/algorithms/Protenix/Protenix/setup.py b/benchmarks/FoldBench/algorithms/Protenix/Protenix/setup.py new file mode 100644 index 0000000000000000000000000000000000000000..7405ad32631b7e5a7a920402c45d9ed0c3331d1d --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/Protenix/setup.py @@ -0,0 +1,48 @@ +# Copyright 2024 ByteDance and/or its affiliates. +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + +from setuptools import find_packages, setup + +with open("requirements.txt") as f: + install_requires = f.read().splitlines() + +setup( + name="protenix", + python_requires=">=3.10", + version="0.3.2", + description="A trainable PyTorch reproduction of AlphaFold 3.", + author="Bytedance Inc.", + url="https://github.com/bytedance/Protenix", + author_email="ai4s-bio@bytedance.com", + packages=find_packages( + exclude=( + "assets", + "benchmark", + "*.egg-info", + ) + ), + include_package_data=True, + data_files=["requirements.txt"], + package_data={ + "protenix": ["model/layer_norm/kernel/*"], + }, + install_requires=install_requires, + license="Apache 2.0 License", + platforms="manylinux1", + entry_points={ + "console_scripts": [ + "protenix = runner.batch_inference:protenix_cli", + ], + }, +) diff --git a/benchmarks/FoldBench/algorithms/Protenix/__init__.py b/benchmarks/FoldBench/algorithms/Protenix/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/algorithms/Protenix/container.def b/benchmarks/FoldBench/algorithms/Protenix/container.def new file mode 100644 index 0000000000000000000000000000000000000000..a5291e3865d3f5471f8f0241e11599dc3e3bf54e --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/container.def @@ -0,0 +1,40 @@ +Bootstrap: docker +From: ai4s-cn-beijing.cr.volces.com/pytorch-mirror/pytorch:2.3.1-cuda12.1-cudnn8-devel + + +%environment + # Define system variables to provide GPU access within the container. + export LD_LIBRARY_PATH=/usr/local/cuda/lib64:$LD_LIBRARY_PATH + + # Define python path + export PYTHON=/opt/conda/bin/python + +%files + # Copy algorithm-related files to a separate dir /algo. + # Don't change the dir name. + algorithms/Protenix /algo + algorithms/base /algo/base + +%post + # Download algorithm source code + cd /algo + + # from github + # git clone https://github.com/bytedance/Protenix.git + # cd ./Protenix + # pip install -e . + + # from local source code + cd ./Protenix + # pip install -e . + pip install -e . + + # from pip + # pip install protenix + +%post + # Make sure make_predictions.sh file is executable. + chmod +x /algo/make_predictions.sh + +# Run algorithm and convert outputs. +# Data is expected to be mounted into /algo/data dir. diff --git a/benchmarks/FoldBench/algorithms/Protenix/make_predictions.sh b/benchmarks/FoldBench/algorithms/Protenix/make_predictions.sh new file mode 100644 index 0000000000000000000000000000000000000000..cd3271c1872d6f1638725b59d381c8b811249c52 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/make_predictions.sh @@ -0,0 +1,35 @@ +#!/bin/bash + +af3_input_json=$1 +input_dir=$2 +prediction_dir=$3 +evaluation_dir=$4 +gpu_id=$5 + +PYTHON_PATH="/opt/conda/bin/python" +# convert af3 input data to model format +$PYTHON_PATH ./preprocess.py --af3_input_json="$af3_input_json" --input_dir="$input_dir" + + +# run inference + +export CUDA_VISIBLE_DEVICES=$gpu_id +N_sample=5 +N_step=200 +N_cycle=10 + +# seed=42 +seed=42,66,101,2024,8888 + +$PYTHON_PATH /algo/Protenix/runner/inference.py \ +--seeds ${seed} \ +--dump_dir ${prediction_dir} \ +--input_json_path $input_dir/inputs.json \ +--model.N_cycle ${N_cycle} \ +--sample_diffusion.N_sample ${N_sample} \ +--sample_diffusion.N_step ${N_step} \ +--use_msa_server + +# Convert predictions to the general cif format, +# and generate evaluation prediction_reference.csv in evaluation_dir +$PYTHON_PATH ./postprocess.py --input_dir="$input_dir" --prediction_dir="$prediction_dir" --evaluation_dir="$evaluation_dir" \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/postprocess.py b/benchmarks/FoldBench/algorithms/Protenix/postprocess.py new file mode 100644 index 0000000000000000000000000000000000000000..0e3b43f538a6964cab5bb8927e6e5abfa4d31a00 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/postprocess.py @@ -0,0 +1,132 @@ +""" +postprocess for algorithm. +1. It is required to generate prediction_reference.csv in ./outputs/evaluation/{algorithm} for our benchmark. The keys should include pdb_id, seed, sample, ranking_score, and prediction_path. +2. Convert predictions from the algorithm output format to a format supported by OpenStructure and DockQv2. If the sample test succeeds, you can obtain the scores for each target in ./outputs/evaluation/{algorithm}. +You can use PostProcess.postprocess() to perform postprocessing. +""" + +import argparse +import os +import re +import numpy as np +from tqdm import tqdm +import json +import biotite.structure.io.pdbx as pdbx +import glob +import multiprocessing as mp +import pandas as pd + + +class PostProcess(): + def __init__(self): + pass + + def process_file(self,cif_paths): + pdb_id,file_path,new_file_path,seed,sample = cif_paths + + if not os.path.exists(file_path): + return None + + dict_entity_id = {} + + cif_file = pdbx.CIFFile.read(file_path) + block = cif_file.block + atom_site = block.get("atom_site") + + atom_site["occupancy"] = pdbx.CIFColumn(pdbx.CIFData(["1" for _ in range(len(atom_site['group_PDB']))])) + atom_site['B_iso_or_equiv'] = pdbx.CIFColumn(pdbx.CIFData(["0" for _ in range(len(atom_site['group_PDB']))])) + + label_entity_ids = atom_site['label_entity_id'].as_array().tolist() + group_pdbs = atom_site['group_PDB'].as_array().tolist() + for entity_id, group_pdb in zip(label_entity_ids, group_pdbs): + if entity_id not in dict_entity_id: + if group_pdb == 'ATOM': + dict_entity_id[entity_id] = ('polymer', group_pdb) + else: + dict_entity_id[entity_id] = ('non-polymer', group_pdb) + else: # modification + if dict_entity_id[entity_id][1] != group_pdb: + dict_entity_id[entity_id] = ('polymer', group_pdb) + + block['entity'] = pdbx.CIFCategory({"id": list(dict_entity_id.keys()), + "type": [dict_entity_id[key][0] for key in dict_entity_id.keys()]}) + + cif_file.write(new_file_path) + + return pdb_id,new_file_path,seed,sample + + def postprocess(self,input_dir,prediction_dir,evaluation_dir): + + with open(os.path.join(input_dir, "inputs.json"), "r") as f: + input_data = json.load(f) + + seeds = ['42','66','101','2024','8888'] + samples = [0,1,2,3,4] + cif_paths = [] + + for input_data in input_data: + pdb_id = input_data['name'] + for seed in seeds: + for sample in samples: + cif_path = f"{prediction_dir}/{pdb_id}/seed_{seed}/predictions/{pdb_id}_seed_{seed}_sample_{sample}.cif" + # print(f"Processing {cif_path}") + + if os.path.exists(cif_path): + cif_new_path = os.path.join(os.path.dirname(cif_path), + f'{os.path.splitext(os.path.basename(cif_path))[0]}_postprocessed.cif') + cif_paths.append((pdb_id,cif_path,cif_new_path,seed,sample)) + + print(f"Processing {len(cif_paths)} files") + num_cores = mp.cpu_count() + # Use approximately 75% of CPU cores to avoid system overload + num_processes = max(1, int(num_cores * 0.8)) + print(f"Will use {num_processes} processes for parallel processing") + + # Create process pool + with mp.Pool(processes=num_processes) as pool: + results = list(tqdm( + pool.imap(self.process_file, cif_paths), + total=len(cif_paths), + desc="Processing progress" + )) + + data = [] + for result in results: + if result is None: + continue + tmp = {} + pdb_id,new_file_path,seed,sample = result + + # get ranking score + confidence_path = f"{prediction_dir}/{pdb_id}/seed_{seed}/predictions/{pdb_id}_seed_{seed}_summary_confidence_sample_{sample}.json" + with open(confidence_path, "r") as f: + confidence = json.load(f) + + tmp['pdb_id'] = pdb_id + tmp['seed'] = seed + tmp['sample'] = sample + tmp['ranking_score'] = confidence.get('ranking_score', 0) + tmp['prediction_path'] = new_file_path + + + data.append(tmp) + + df = pd.DataFrame(data) + df.to_csv(os.path.join(evaluation_dir, f'prediction_reference.csv'), index=False) + +parser = argparse.ArgumentParser() +parser.add_argument( + "--input_dir", required=True, help="The path to the algorithm input file." +) +parser.add_argument( + "--prediction_dir", required=True, help="The path to the algorithm predictions file." +) +parser.add_argument( + "--evaluation_dir", required=True, help="The dir with the evaluation files.", +) +args = parser.parse_args() + + +postprocess = PostProcess() + +postprocess.postprocess(args.input_dir, args.prediction_dir,args.evaluation_dir) \ No newline at end of file diff --git a/benchmarks/FoldBench/algorithms/Protenix/preprocess.py b/benchmarks/FoldBench/algorithms/Protenix/preprocess.py new file mode 100644 index 0000000000000000000000000000000000000000..613e9d3bee7eb490bc150ccc2dfcc099ad5aeaf2 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/Protenix/preprocess.py @@ -0,0 +1,127 @@ +""" +preprocess for algorithm. +For example, you generally need to convert AF3 input JSON files to the algorithm expected format. +You can use PreProcess.preprocess() to perform preprocessing. +""" + +import argparse +import os +import json +from tqdm import tqdm + + +class PreProcess(): + def __init__(self): + super().__init__() + + def format_single_input(self, input_data): + tmp_seq_data={} + tmp_seq_data['name']= input_data['name'] + tmp_seq_data["sequences"]=[] + + for seq in input_data['sequences']: # seq is a dict + tmp_seq={} + + seq_type = next(iter(seq)) + + if seq_type=='protein': + tmp_seq["proteinChain"]={} + tmp_seq["proteinChain"]['sequence']=seq[seq_type]['sequence'] + if isinstance(seq[seq_type]['id'],list): + tmp_seq["proteinChain"]['count']=len(seq[seq_type]['id']) + else: + tmp_seq["proteinChain"]['count']=1 + + + # add modification + tmp_seq["proteinChain"]['modifications']=[] + for modification in seq[seq_type]['modifications']: + tmp_modification = {} + tmp_modification["ptmType"]=f'CCD_{modification["ptmType"]}' + tmp_modification['ptmPosition']=modification['ptmPosition'] + tmp_seq["proteinChain"]['modifications'].append(tmp_modification) + + + elif seq_type=='rna': + tmp_seq["rnaSequence"]={} + tmp_seq["rnaSequence"]['sequence']=seq[seq_type]['sequence'] + if isinstance(seq[seq_type]['id'],list): + tmp_seq["rnaSequence"]['count']=len(seq[seq_type]['id']) + else: + tmp_seq["rnaSequence"]['count']=1 + + # add modification + tmp_seq["rnaSequence"]['modifications']=[] + for modification in seq[seq_type]['modifications']: + tmp_modification = {} + tmp_modification["modificationType"]=f'CCD_{modification["modificationType"]}' + tmp_modification['basePosition']=modification['basePosition'] + tmp_seq["rnaSequence"]['modifications'].append(tmp_modification) + + elif seq_type=='dna': + tmp_seq["dnaSequence"]={} + tmp_seq["dnaSequence"]['sequence']=seq[seq_type]['sequence'] + if isinstance(seq[seq_type]['id'],list): + tmp_seq["dnaSequence"]['count']=len(seq[seq_type]['id']) + else: + tmp_seq["dnaSequence"]['count']=1 + + # add modification + tmp_seq["dnaSequence"]['modifications']=[] + for modification in seq[seq_type]['modifications']: + tmp_modification = {} + tmp_modification["modificationType"]=f'CCD_{modification["modificationType"]}' + tmp_modification['basePosition']=modification['basePosition'] + tmp_seq["dnaSequence"]['modifications'].append(tmp_modification) + + elif seq_type=='ligand': + tmp_seq["ligand"]={} + + tmp_seq["ligand"]['ligand']="CCD" + for ccd in seq[seq_type]['ccdCodes']: + tmp_seq["ligand"]['ligand'] += f'_{ccd}' + + if isinstance(seq[seq_type]['id'],list): + tmp_seq["ligand"]['count']=len(seq[seq_type]['id']) + else: + tmp_seq["ligand"]['count']=1 + + tmp_seq_data["sequences"].append(tmp_seq) + + return tmp_seq_data + + def preprocess(self, af3_input_json_path, input_dir): + """ + af3_input_json_path: path to the af3 input json file + input_dir: path to the input directory for the algorithm + """ + + with open(af3_input_json_path, "r") as f: + folding_inputs = json.load(f) + + + mapped_folding_inputs = [ + self.format_single_input(folding_inputs[i]) + for i in tqdm(range(len(folding_inputs))) + ] + + with open(f'{input_dir}/inputs.json', "w") as f: + json.dump(mapped_folding_inputs, f,indent = 4) + print( + "{} folding inputs written to {}.".format(len(mapped_folding_inputs), input_dir) + ) + + +parser = argparse.ArgumentParser() +parser.add_argument( + "--af3_input_json", + help="The path to the input .json file.", +) +parser.add_argument( + "--input_dir", + help="The path to write prepared input data in the format expected by the algorithm.", +) +args = parser.parse_args() + +preprocess = PreProcess() +preprocess.preprocess(args.af3_input_json,args.input_dir) diff --git a/benchmarks/FoldBench/algorithms/README.md b/benchmarks/FoldBench/algorithms/README.md new file mode 100644 index 0000000000000000000000000000000000000000..49a9986de01ae278a736323db2421e288049d132 --- /dev/null +++ b/benchmarks/FoldBench/algorithms/README.md @@ -0,0 +1,69 @@ +# Integrating a New Model into FoldBench + +Welcome, contributor! This guide outlines the process for integrating your protein structure prediction model into the FoldBench benchmarking platform. + +## Platform Requirements + +Before you begin, ensure your environment meets the following system requirements: +* **OS:** Linux +* **Containerization:** Apptainer +* **Package Management:** Conda +* **Hardware:** NVIDIA GPU + +--- + +## Preparing Your Algorithm + +To add your model, create a new directory inside `FoldBench/algorithms/` using your algorithm's name. This directory must contain the following four files: + +### 1. 📦 `container.def` +This Apptainer definition file specifies the complete environment for your model. It should install all necessary system packages, Python libraries (e.g., via pip), and set up any required environment variables. + +### 2. 📝 `preprocess.py` +This script prepares the input data for your model. It must contain a `PreProcess.preprocess()` method. + +* **Input:** The script should read from the benchmark's standard input file: `./alphafold3_inputs.json`. +* **Function:** Convert the data from the standard JSON format into the specific file format that your model requires for inference. +* **Output:** The preprocessed data should be saved to your algorithm's dedicated input directory: `./outputs/input/{algorithm_name}/`. + +### 3. 🚀 `make_predictions.sh` +This is the main inference script that runs your model. It will be executed from within the Apptainer environment. + +* **Input:** It should read the preprocessed data from `./outputs/input/{algorithm_name}/`. +* **Function:** Execute your model's prediction command-line interface. +* **Output:** The prediction artifacts (e.g., `.cif` or `.pdb` files) must be written to the prediction directory: `./outputs/prediction/{algorithm_name}/`. + +### 4. ✨ `postprocess.py` +This script standardizes your model's output for evaluation. It must contain a `PostProcess.postprocess()` method and perform two key tasks: + +1. **Generate Prediction Summary:** Create a summary file named `prediction_reference.csv` in the evaluation directory: `./outputs/evaluation/{algorithm_name}/prediction_reference.csv`. This CSV file is **required** for the benchmark and must include the following columns: `pdb_id`, `seed`, `sample`, `ranking_score`, and `prediction_path`. +2. **Format for Evaluation:** Convert your model's raw output files (located in `./outputs/prediction/{algorithm_name}/`) into a format compatible with our evaluation tools ([OpenStructure](https://git.scicore.unibas.ch/schwede/openstructure) and [DockQ](https://github.com/bjornwallner/DockQ)). + +--- + +## Running the Benchmark + +Once you have prepared your four files, you can test the entire workflow using our provided scripts. + +### Step 1: Build Environments +Navigate to the root `FoldBench/` directory and run the build script. This command builds the Apptainer image for your algorithm. + +```bash +cd FoldBench + +# Build the Apptainer image for your algorithm +./build_apptainer_images.sh + +# Create the conda environment for evaluation +conda env create -f environment.yml +``` + +### Step 2: Run Inference and Evaluation +Activate the conda environment and execute the main run script. This will automate the preprocessing, prediction, postprocessing, and scoring for all registered algorithms. + +```bash +conda activate foldbench +./run.sh +``` + +Once your model runs successfully, please submit a pull request to add it to our platform. We look forward to your contribution! \ No newline at end of file diff --git a/benchmarks/FoldBench/assets/detail_24.png b/benchmarks/FoldBench/assets/detail_24.png new file mode 100644 index 0000000000000000000000000000000000000000..5f025c43150988d8b996f02db362d9c2035734e4 --- /dev/null +++ b/benchmarks/FoldBench/assets/detail_24.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:0df9a6860075386def0b7e0652000560f6946af330834e92c52a279003c55faa +size 478346 diff --git a/benchmarks/FoldBench/assets/detail_full.png b/benchmarks/FoldBench/assets/detail_full.png new file mode 100644 index 0000000000000000000000000000000000000000..8e7530ee7a6e2fd5d2b0f92aeb1b1ac60881622e --- /dev/null +++ b/benchmarks/FoldBench/assets/detail_full.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5ea7b2f08054c0327676a2b10fd0788abed82cd3885e7eba2b22fce3a3ebb145 +size 420018 diff --git a/benchmarks/FoldBench/assets/fig1_abstract.png b/benchmarks/FoldBench/assets/fig1_abstract.png new file mode 100644 index 0000000000000000000000000000000000000000..6b3b06ab4a8d3ad21a5ab53c9959b079a0a8227d --- /dev/null +++ b/benchmarks/FoldBench/assets/fig1_abstract.png @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9301c56b20e074fd9f54d58a321c02c6021cbeecd98f11f6633066b947f6c29c +size 190019 diff --git a/benchmarks/FoldBench/build_apptainer_images.sh b/benchmarks/FoldBench/build_apptainer_images.sh new file mode 100644 index 0000000000000000000000000000000000000000..283bcaad429f0bd1ec791465fc04821f648ef29b --- /dev/null +++ b/benchmarks/FoldBench/build_apptainer_images.sh @@ -0,0 +1,41 @@ +#!/bin/bash + +# --- Function to build Apptainer images --- +build_apptainer_image() { + container_sif="$1" + container_def="$2" + algo_name="$3" + image_name="${container_sif##*/}" + + # Check if the .sif image already exists + if [ -f "$container_sif" ]; then + # Prompt for force rebuild + read -p "A .sif image for $algo_name already exists. Force rebuild? (y/N) " -n 1 -r + echo # Move to a new line after input + if [[ $REPLY =~ ^[Yy]$ ]]; then + # Force rebuild + apptainer build --force "$container_sif" "$container_def" + else + echo "Skipping rebuild for $algo_name image." + fi + else + # Build the image (no existing image found) + echo "Building $algo_name image..." + apptainer build "$container_sif" "$container_def" + fi +} + +# --- Build algorithm images --- +# Loop through each directory (algorithm) in the "algorithms" folder +for algo_name in algorithms/*; do + # echo "Building $algo_name image..." + # Check if it's a directory and not the "base" folder + if [ -d "$algo_name" ] && [ "${algo_name##*/}" != "base" ]; then + # Construct the full paths for the command + container_sif="algorithms/${algo_name##*/}/container.sif" + container_def="algorithms/${algo_name##*/}/container.def" + + # Build the algorithm image + build_apptainer_image "$container_sif" "$container_def" "${algo_name##*/}" + fi +done \ No newline at end of file diff --git a/benchmarks/FoldBench/environment.yml b/benchmarks/FoldBench/environment.yml new file mode 100644 index 0000000000000000000000000000000000000000..929ce47e160ce51395cded697ca6f70e05431f1f --- /dev/null +++ b/benchmarks/FoldBench/environment.yml @@ -0,0 +1,15 @@ +name: foldbench +channels: + - conda-forge + - aivant +dependencies: + - python=3.9.* + - aivant::openstructure=2.8.0 + - pip: + - scipy + - networkx + - pandas + - numpy + - biopython==1.85 + - tqdm + - parallelbar diff --git a/benchmarks/FoldBench/evaluate.py b/benchmarks/FoldBench/evaluate.py new file mode 100644 index 0000000000000000000000000000000000000000..a0b07d2aac4c263ab44bbe9a7d3e19a8eb7d9013 --- /dev/null +++ b/benchmarks/FoldBench/evaluate.py @@ -0,0 +1,53 @@ + + +from evaluation import eval_by_dockqv2,eval_by_ost +import pandas as pd +import argparse +import os + + + +parser = argparse.ArgumentParser() +parser.add_argument( + "--targets_dir", required=False, default='./examples/targets', help="The dir with the targets files." +) +parser.add_argument( + "--evaluation_dir", required=False,default='./examples/outputs/evaluation', help="The dir with the evaluation files.", +) +parser.add_argument( + "--algorithm_name", required=False, default='Protenix', help="The name of the algorithm.", +) +parser.add_argument( + "--ground_truth_dir", required=False, default='./examples/ground_truths', help="The dir with the ground truth files.", +) + +parser.add_argument( + "--targets", required=False, default= ["interface_protein_ligand","interface_antibody_antigen","interface_protein_dna", "monomer_protein"], nargs='+', help="targets to evaluate.", + ) +args = parser.parse_args() + +evaluation_dir = os.path.join(args.evaluation_dir,args.algorithm_name) + +os.makedirs(os.path.join(evaluation_dir,'raw'), exist_ok=True) +target_types = args.targets + + + +prediction_summary_path = f'{evaluation_dir}/prediction_reference.csv' +prediction_summary_df = pd.read_csv(prediction_summary_path) + +# caculation +for target_type in target_types: + target_df_path = f'{args.targets_dir}/{target_type}.csv' + if not os.path.exists(target_df_path): + print(f"target_df_path is not exists for {target_type}") + continue + target_df = pd.read_csv(target_df_path) + + target_df = pd.merge(target_df,prediction_summary_df, on='pdb_id', how='left') + + if target_type in ["interface_protein_protein","interface_antibody_antigen","interface_protein_peptide","interface_protein_ligand","interface_protein_dna","interface_protein_rna","monomer_dna","monomer_rna","monomer_protein"]: + eval_by_ost(target_df,target_type,evaluation_dir,args.ground_truth_dir) + + if target_type in ["interface_protein_dna","interface_protein_rna"]: + eval_by_dockqv2(target_df,target_type,evaluation_dir,args.ground_truth_dir) \ No newline at end of file diff --git a/benchmarks/FoldBench/evaluation/DockQv2/DockQ.py b/benchmarks/FoldBench/evaluation/DockQv2/DockQ.py new file mode 100644 index 0000000000000000000000000000000000000000..a17a14612eee80052b42d2db5887bf8e9c7ac5da --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/DockQ.py @@ -0,0 +1,1099 @@ +#!/usr/bin/env python + +import sys +import json +import gzip +import math +import logging +import itertools +import traceback +from collections import Counter +from argparse import ArgumentParser +from functools import lru_cache, partial + +import numpy as np +from Bio import Align +from Bio.SVDSuperimposer import SVDSuperimposer +from parallelbar import progress_map + +# fallback in case the cython version doesn't work, though it will be slower +try: + from .operations import residue_distances, get_fnat_stats + from .parsers import PDBParser, MMCIFParser + from .constants import * +except ImportError: + logging.warning( + """Invoking DockQ as script rather than binary. This will slow down computations.""" + ) + from .operations_nocy import residue_distances, get_fnat_stats + from .parsers import PDBParser, MMCIFParser + from .constants import * + + +def parse_args(): + parser = ArgumentParser( + description="DockQ - Quality measure for \ + protein-protein docking models" + ) + parser.add_argument("model", metavar="", type=str, help="Path to model file") + parser.add_argument( + "native", metavar="", type=str, help="Path to native file" + ) + parser.add_argument( + "--capri_peptide", + default=False, + action="store_true", + help="use version for capri_peptide \ + (DockQ cannot not be trusted for this setting)", + ) + parser.add_argument( + "--small_molecule", + help="If the docking pose of a small molecule should be evaluated", + action="store_true", + ) + parser.add_argument( + "--short", default=False, action="store_true", help="Short output" + ) + parser.add_argument( + "--json", + default=None, + metavar="out.json", + help="Write outputs to a chosen json file", + ) + parser.add_argument( + "--verbose", "-v", default=False, action="store_true", help="Verbose output" + ) + parser.add_argument( + "--no_align", + action="store_true", + help="Do not align native and model using sequence alignments, but use the numbering of residues instead", + ) + parser.add_argument( + "--n_cpu", + default=8, + type=int, + metavar="CPU", + help="Number of cores to use", + ) + parser.add_argument( + "--max_chunk", + default=512, + type=int, + metavar="CHUNK", + help="Maximum size of chunks given to the cores, actual chunksize is min(max_chunk,combos/cpus)", + ) + parser.add_argument( + "--allowed_mismatches", + default=0, + type=int, + help="Number of allowed mismatches when mapping model sequence to native sequence.", + ) + parser.add_argument( + "--mapping", + default=None, + metavar="MODELCHAINS:NATIVECHAINS", + help="""Specify a chain mapping between model and native structure. + If the native contains two chains "H" and "L" + while the model contains two chains "A" and "B", + and chain A is a model of native chain + H and chain B is a model of native chain L, + the flag can be set as: '--mapping AB:HL'. + This can also help limit the search to specific native interfaces. + For example, if the native is a tetramer (ABCD) but the user is only interested + in the interface between chains B and C, the flag can be set as: '--mapping :BC' + or the equivalent '--mapping *:BC'.""", + ) + + return parser.parse_args() + + +@lru_cache +def get_aligned_residues(chainA, chainB, alignment): + aligned_resA = [] + aligned_resB = [] + resA = chainA.get_residues() + resB = chainB.get_residues() + + if alignment[0] == alignment[2]: + return tuple(resA), tuple(resB) + + for A, match, B in zip(*alignment): + if A != "-": + rA = next(resA) + if B != "-": + rB = next(resB) + + if match == "|": + aligned_resA.append(rA) + aligned_resB.append(rB) + + return tuple(aligned_resA), tuple(aligned_resB) + + +@lru_cache +def get_residue_distances(chain1, chain2, what, all_atom=True): + if all_atom: + # how many atoms per aligned amino acid + n_atoms_per_res_chain1 = list_atoms_per_residue(chain1, what) + n_atoms_per_res_chain2 = list_atoms_per_residue(chain2, what) + model_A_atoms = np.asarray( + [atom.coord for res in chain1 for atom in res.get_atoms()] + ) + model_B_atoms = np.asarray( + [atom.coord for res in chain2 for atom in res.get_atoms()] + ) + + else: # distances were already between CBs only + model_A_atoms = np.asarray( + [ + res["CB"].get_coord() if "CB" in res else res["CA"].get_coord() + for res in chain1 + ] + ) + model_B_atoms = np.asarray( + [ + res["CB"].get_coord() if "CB" in res else res["CA"].get_coord() + for res in chain2 + ] + ) + + n_atoms_per_res_chain1 = np.ones(model_A_atoms.shape[0]).astype(int) + n_atoms_per_res_chain2 = np.ones(model_B_atoms.shape[0]).astype(int) + + model_res_distances = residue_distances( + model_A_atoms, model_B_atoms, n_atoms_per_res_chain1, n_atoms_per_res_chain2 + ) + return model_res_distances + + +def calc_sym_corrected_lrmsd( + sample_chains, + ref_chains, + alignments, +): + import networkx as nx + + # 8kbh J,M OutOfIndex Error + + is_het_sample_0 = bool(sample_chains[0].is_het) + is_het_sample_1 = bool(sample_chains[1].is_het) + + if is_het_sample_0 and not is_het_sample_1: + sample_ligand = sample_chains[0] + sample_receptor = sample_chains[1] + ref_ligand = ref_chains[0] + ref_receptor = ref_chains[1] + receptor_alignment = alignments[1] + elif not is_het_sample_0 and is_het_sample_1: + sample_ligand = sample_chains[1] + sample_receptor = sample_chains[0] + ref_ligand = ref_chains[1] + ref_receptor = ref_chains[0] + receptor_alignment = alignments[0] + else: + return # both ligands, no lrmsd + + ref_res_distances = get_residue_distances(ref_receptor, ref_ligand, "ref") + receptor_interface, _ = get_interacting_pairs( + # working with squared thresholds to avoid using sqrt + ref_res_distances, + threshold=INTERFACE_THRESHOLD ** 2, + ) + if not receptor_interface: + return + aligned_sample_receptor, aligned_ref_receptor = get_aligned_residues( + sample_receptor, ref_receptor, receptor_alignment + ) + + sample_interface_atoms, ref_interface_atoms = subset_atoms( + aligned_sample_receptor, + aligned_ref_receptor, + atom_types=BACKBONE_ATOMS, + residue_subset=receptor_interface, + what="receptor", + ) + + sample_ligand_atoms_ids = [atom.id for atom in sample_ligand.get_atoms()] + sample_ligand_atoms_ele = [atom.element for atom in sample_ligand.get_atoms()] + + ref_ligand_atoms_ids = [atom.id for atom in ref_ligand.get_atoms()] + ref_ligand_atoms_ele = [atom.element for atom in ref_ligand.get_atoms()] + + sample_ligand_atoms = np.array( + [ + atom.coord + for atom in sample_ligand.get_atoms() + if atom.id in ref_ligand_atoms_ids + ] + ) + ref_ligand_atoms = np.array( + [ + atom.coord + for atom in ref_ligand.get_atoms() + if atom.id in sample_ligand_atoms_ids + ] + ) + + # Set to align on receptor interface + super_imposer = SVDSuperimposer() + super_imposer.set( + np.asarray(ref_interface_atoms), np.asarray(sample_interface_atoms) + ) + super_imposer.run() + rot, tran = super_imposer.get_rotran() + + sample_rotated_ligand_atoms = np.dot(sample_ligand_atoms, rot) + tran + + sample_graph = create_graph(sample_ligand_atoms, sample_ligand_atoms_ele) + ref_graph = create_graph(ref_ligand_atoms, ref_ligand_atoms_ele) + + min_lrms = float("inf") + best_mapping = None + + for isomorphism in nx.vf2pp_all_isomorphisms(sample_graph, ref_graph): + model_i = list(isomorphism.keys()) + native_i = list(isomorphism.values()) + + lrms = super_imposer._rms( + sample_rotated_ligand_atoms[model_i], ref_ligand_atoms[native_i] + ) + if lrms < min_lrms: + best_mapping = isomorphism + min_lrms = lrms + dockq = dockq_formula(0, 0, min_lrms) + info = { + "DockQ": dockq, + "LRMSD": min_lrms, + "mapping": best_mapping, + "is_het": sample_ligand.is_het, + } + return info + + +# @profile +def calc_DockQ( + sample_chains, + ref_chains, + alignments, + capri_peptide=False, + low_memory=False, +): + + fnat_threshold = FNAT_THRESHOLD if not capri_peptide else FNAT_THRESHOLD_PEPTIDE + interface_threshold = ( + INTERFACE_THRESHOLD if not capri_peptide else INTERFACE_THRESHOLD_PEPTIDE + ) + + # total number of native contacts is calculated on untouched native structure + ref_res_distances = get_residue_distances(ref_chains[0], ref_chains[1], "ref") + nat_total = np.nonzero(np.asarray(ref_res_distances) < fnat_threshold ** 2)[ + 0 + ].shape[0] + + if nat_total == 0: + # if the native has no interface between the two chain groups + # nothing to do here + return None + + aligned_sample_1, aligned_ref_1 = get_aligned_residues( + sample_chains[0], ref_chains[0], alignments[0] + ) + aligned_sample_2, aligned_ref_2 = get_aligned_residues( + sample_chains[1], ref_chains[1], alignments[1] + ) + + sample_res_distances = get_residue_distances( + aligned_sample_1, aligned_sample_2, "sample" + ) + + if ref_res_distances.shape != sample_res_distances.shape: + ref_res_distances = get_residue_distances(aligned_ref_1, aligned_ref_2, "ref") + + assert ( + sample_res_distances.shape == ref_res_distances.shape + ), f"Native and model have incompatible sizes ({sample_res_distances.shape} != {ref_res_distances.shape})" + + nat_correct, nonnat_count, _, model_total = get_fnat_stats( + sample_res_distances, ref_res_distances, threshold=fnat_threshold + ) + + # avoids divide by 0 errors + fnat = nat_total and nat_correct / nat_total or 0 + fnonnat = model_total and nonnat_count / model_total or 0 + + if capri_peptide: + ref_res_distances = get_residue_distances( + aligned_ref_1, aligned_ref_2, "ref", all_atom=False + ) + # Get interfacial atoms from reference, and corresponding atoms from sample + interacting_pairs = get_interacting_pairs( + # working with squared thresholds to avoid using sqrt + ref_res_distances, + threshold=interface_threshold ** 2, + ) + + sample_interface_atoms1, ref_interface_atoms1 = subset_atoms( + aligned_sample_1, + aligned_ref_1, + atom_types=BACKBONE_ATOMS, + residue_subset=interacting_pairs[0], + ) + sample_interface_atoms2, ref_interface_atoms2 = subset_atoms( + aligned_sample_2, + aligned_ref_2, + atom_types=BACKBONE_ATOMS, + residue_subset=interacting_pairs[1], + ) + + sample_interface_atoms = np.asarray( + sample_interface_atoms1 + sample_interface_atoms2 + ) + ref_interface_atoms = np.asarray(ref_interface_atoms1 + ref_interface_atoms2) + + super_imposer = SVDSuperimposer() + super_imposer.set(sample_interface_atoms, ref_interface_atoms) + super_imposer.run() + irms = super_imposer.get_rms() + + # assign which chains constitute the receptor, ligand + ref_group1_size = len(ref_chains[0]) + ref_group2_size = len(ref_chains[1]) + receptor_chains = ( + (aligned_ref_1, aligned_sample_1) + if ref_group1_size > ref_group2_size + else (aligned_ref_2, aligned_sample_2) + ) + ligand_chains = ( + (aligned_ref_1, aligned_sample_1) + if ref_group1_size <= ref_group2_size + else (aligned_ref_2, aligned_sample_2) + ) + class1, class2 = ( + ("receptor", "ligand") + if ref_group1_size > ref_group2_size + else ("ligand", "receptor") + ) + + receptor_atoms_native, receptor_atoms_sample = subset_atoms( + receptor_chains[0], + receptor_chains[1], + atom_types=BACKBONE_ATOMS, + what="receptor", + ) + ligand_atoms_native, ligand_atoms_sample = subset_atoms( + ligand_chains[0], ligand_chains[1], atom_types=BACKBONE_ATOMS, what="ligand" + ) + # Set to align on receptor + super_imposer.set( + np.asarray(receptor_atoms_native), np.asarray(receptor_atoms_sample) + ) + super_imposer.run() + + rot, tran = super_imposer.get_rotran() + rotated_sample_atoms = np.dot(np.asarray(ligand_atoms_sample), rot) + tran + + lrms = super_imposer._rms( + np.asarray(ligand_atoms_native), rotated_sample_atoms + ) # using the private _rms function which does not superimpose + + info = {} + F1 = f1(nat_correct, nonnat_count, nat_total) + info["DockQ"] = dockq_formula(fnat, irms, lrms) + if low_memory: + return info + + info["F1"] = F1 + info["iRMSD"] = irms + info["LRMSD"] = lrms + info["fnat"] = fnat + info["nat_correct"] = nat_correct + info["nat_total"] = nat_total + + info["fnonnat"] = fnonnat + info["nonnat_count"] = nonnat_count + info["model_total"] = model_total + info["clashes"] = np.nonzero( + np.asarray(sample_res_distances) < CLASH_THRESHOLD ** 2 + )[0].shape[0] + info["len1"] = ref_group1_size + info["len2"] = ref_group2_size + info["class1"] = class1 + info["class2"] = class2 + info["is_het"] = False + + return info + + +def f1(tp, fp, p): + return 2 * tp / (tp + fp + p) + + +def dockq_formula(fnat, irms, lrms): + return ( + float(fnat) + + 1 / (1 + (irms / 1.5) * (irms / 1.5)) + + 1 / (1 + (lrms / 8.5) * (lrms / 8.5)) + ) / 3 + + +@lru_cache +def align_chains(model_chain, native_chain, use_numbering=False): + """ + Function to align two PDB structures. This can be done by sequence (default) or by + numbering. If the numbering is used, then each residue number from the pdb structure + is converted to a unique character. Then the two vectors of character are aligned + as if they were two sequences + """ + + if use_numbering: + model_numbering = [] + native_numbering = [] + + for residue in model_chain.get_residues(): + resn = int(residue.id[1]) + model_numbering.append(resn) + + for residue in native_chain.get_residues(): + resn = int(residue.id[1]) + native_numbering.append(resn) + # if the smallest resn is negative, it will be used to shift all numbers so they start from 0 + # the minimum offset is 45 to avoid including the "-" character that is reserved for gaps + min_resn = max(45, -min(model_numbering + native_numbering)) + + model_sequence = "".join([chr(resn + min_resn) for resn in model_numbering]) + native_sequence = "".join([chr(resn + min_resn) for resn in native_numbering]) + + else: + model_sequence = model_chain.sequence + native_sequence = native_chain.sequence + + aligner = Align.PairwiseAligner() + aligner.match = 5 + aligner.mismatch = 0 + aligner.open_gap_score = -4 + aligner.extend_gap_score = -0.5 + aln = aligner.align(model_sequence, native_sequence)[0] + aln = aligner.align(model_sequence, native_sequence)[0] + return aln + + +def format_alignment(aln): + alignment = {} + try: + alignment["seqA"] = aln[0, :] + alignment["matches"] = "".join( + [ + "|" if aa1 == aa2 else " " if (aa1 == "-" or aa2 == "-") else "." + for aa1, aa2 in zip(aln[0, :], aln[1, :]) + ] + ) + alignment["seqB"] = aln[1, :] + except NotImplementedError: + formatted_aln = aln.format().split("\n") + alignment["seqA"] = formatted_aln[0] + alignment["matches"] = formatted_aln[1] + alignment["seqB"] = formatted_aln[2] + + return alignment + + +@lru_cache +def list_atoms_per_residue(chain, what): + n_atoms_per_residue = [] + + for residue in chain: + # important to remove duplicate atoms (e.g. alternates) at this stage + atom_ids = set([a.id for a in residue.get_unpacked_list()]) + n_atoms_per_residue.append(len(atom_ids)) + return np.array(n_atoms_per_residue).astype(int) + + +def get_interacting_pairs(distances, threshold): + interacting_pairs = np.nonzero(np.asarray(distances) < threshold) + return tuple(interacting_pairs[0]), tuple(interacting_pairs[1]) + + +@lru_cache +def subset_atoms( + mod_chain, + ref_chain, + atom_types, + residue_subset=None, + what="", +): + mod_atoms = [] + ref_atoms = [] + + mod_residues = [res for res in mod_chain] + ref_residues = [res for res in ref_chain] + + # remove duplicate residues + residue_subset = set(residue_subset) if residue_subset else range(len(mod_residues)) + + for i in residue_subset: + mod_res_atoms = list(mod_residues[i].get_atoms()) + ref_res_atoms = list(ref_residues[i].get_atoms()) + mod_res_atoms_ids = [atom.id for atom in mod_res_atoms] + ref_res_atoms_ids = [atom.id for atom in ref_res_atoms] + + for atom_type in atom_types: + try: + mod_i = mod_res_atoms_ids.index(atom_type) + ref_i = ref_res_atoms_ids.index(atom_type) + mod_atoms += [mod_res_atoms[mod_i].coord] + ref_atoms += [ref_res_atoms[ref_i].coord] + except: + continue + + return mod_atoms, ref_atoms + + +@lru_cache +def run_on_chains( + model_chains, + native_chains, + no_align=False, + capri_peptide=False, + small_molecule=True, + low_memory=False, +): + # realign each model chain against the corresponding native chain + alignments = [] + for model_chain, native_chain in zip(model_chains, native_chains): + if model_chain.type != native_chain.type: + return None + aln = align_chains( + model_chain, + native_chain, + use_numbering=no_align, + ) + alignment = format_alignment(aln) + alignments.append(tuple(alignment.values())) + + if not small_molecule: + info = calc_DockQ( + model_chains, + native_chains, + alignments=tuple(alignments), + capri_peptide=capri_peptide, + low_memory=low_memory, + ) + else: + info = calc_sym_corrected_lrmsd( + model_chains, + native_chains, + alignments=tuple(alignments), + ) + return info + + +def create_graph(atom_list, atom_ids): + import networkx as nx + + G = nx.Graph() + + for i, atom_i in enumerate(atom_list): + cr_i = COVALENT_RADIUS[atom_ids[i]] + for j, atom_j in enumerate(atom_list): + cr_j = COVALENT_RADIUS[atom_ids[j]] + distance = np.linalg.norm(atom_i - atom_j) + threshold = (cr_i + cr_j + BOND_TOLERANCE) if i != j else 1 + if distance < threshold: # Adjust threshold as needed + G.add_edge(i, j) + + return G + + +def run_on_all_native_interfaces( + model_structure, + native_structure, + chain_map={"A": "A", "B": "B"}, + no_align=False, + capri_peptide=False, + low_memory=False, +): + """Given a native-model chain map, finds all non-null native interfaces + and runs DockQ for each native-model pair of interfaces""" + result_mapping = dict() + native_chain_ids = list(chain_map.keys()) + + for chain_pair in itertools.combinations(native_chain_ids, 2): + native_chains = tuple([native_structure[chain] for chain in chain_pair]) + model_chains = tuple( + [ + model_structure[chain] + for chain in [chain_map[chain_pair[0]], chain_map[chain_pair[1]]] + ] + ) + + small_molecule = native_chains[0].is_het or native_chains[1].is_het + + if len(set(model_chains)) < 2: + continue + if chain_pair[0] in chain_map and chain_pair[1] in chain_map: + info = run_on_chains( + model_chains, + native_chains, + no_align=no_align, + capri_peptide=capri_peptide, + small_molecule=small_molecule, + low_memory=low_memory, + ) + if info: + info["chain1"], info["chain2"] = ( + chain_map[chain_pair[0]], + chain_map[chain_pair[1]], + ) + info["chain_map"] = chain_map # diagnostics + result_mapping["".join(chain_pair)] = info + total_dockq = sum([result["DockQ"] for result in result_mapping.values()]) + return result_mapping, total_dockq + + +def load_PDB(path, chains=[], small_molecule=False, n_model=0): + try: + pdb_parser = PDBParser(QUIET=True) + model = pdb_parser.get_structure( + "-", + (gzip.open if path.endswith(".gz") else open)(path, "rt"), + chains=chains, + parse_hetatms=small_molecule, + model_number=n_model, + ) + except Exception: + pdb_parser = MMCIFParser(QUIET=True) + model = pdb_parser.get_structure( + "-", + (gzip.open if path.endswith(".gz") else open)(path, "rt"), + chains=chains, + parse_hetatms=small_molecule, + auth_chains=False, # Use label chains instead of auth chains + model_number=n_model, + ) + model.id = path + return model + + +def group_chains( + query_structure, ref_structure, query_chains, ref_chains, allowed_mismatches=0 +): + reverse_map = False + mismatch_dict = {} # for diagnostics + # this might happen e.g. when modelling only part of a large homomer + if len(query_chains) < len(ref_chains): + query_structure, ref_structure = ref_structure, query_structure + query_chains, ref_chains = ref_chains, query_chains + reverse_map = True + + alignment_targets = itertools.product(query_chains, ref_chains) + chain_clusters = {chain: [] for chain in ref_chains} + + for query_chain, ref_chain in alignment_targets: + try: + qc = query_structure[query_chain] + except KeyError: + logging.error( + f"""The specified model chain {query_chain} is not found in the PDB structure. +This is possibly due to using the wrong chain identifier in --mapping, +or forgetting to specify --small_molecule if this is a HETATM chain. +If working with mmCIF files, make sure you use the right chain identifier. + """ + ) + print(traceback.format_exc()) + sys.exit(1) + try: + rc = ref_structure[ref_chain] + except KeyError: + logging.error( + f"""The specified native chain {ref_chain} is not found in the PDB structure. +This is possibly due to using the wrong chain identifier in --mapping, +or forgetting to specify --small_molecule if this is a HETATM chain. +If working with mmCIF files, make sure you use the right chain identifier. + """ + ) + het_qc = qc.is_het + het_rc = rc.is_het + + if het_qc is None and het_rc is None: + aln = align_chains( + qc, + rc, + use_numbering=False, + ) + alignment = format_alignment(aln) + n_mismatches = alignment["matches"].count(".") + + if 0 < n_mismatches < 10: + mismatch_dict[(query_chain, ref_chain)] = n_mismatches + if n_mismatches <= allowed_mismatches: + # 100% sequence identity, 100% coverage of native sequence in model sequence + chain_clusters[ref_chain].append(query_chain) + elif het_qc and het_rc and het_qc == het_rc: + chain_clusters[ref_chain].append(query_chain) + chains_without_match = [ + chain for chain in chain_clusters if not chain_clusters[chain] + ] + if mismatch_dict: + logging.warning( + f"""Some chains have a limited number of sequence mismatches and are treated as non-homologous. +Try increasing the --allowed_mismatches for the following: {", ".join(f"Model chain {c[1]}, native chain {c[0]}: {m} mismatches" for c, m in mismatch_dict.items())} +if they should be treated as homologous.""" + ) + + if chains_without_match: + logging.error( + f"For chains {chains_without_match} no identical corresponding chain was found between in the native." + ) + sys.exit(1) + + return chain_clusters, reverse_map + + +def format_mapping(mapping_str, small_molecule=None): + mapping = dict() + model_chains = None + native_chains = None + if not mapping_str: + return mapping, model_chains, native_chains + + model_mapping, native_mapping = mapping_str.split(":") + if not native_mapping: + logging.error( + "When using --mapping, native chains must be set (e.g. ABC:ABC or :ABC)" + ) + sys.exit() + else: + # :ABC or *:ABC only use those natives chains, permute model chains + if not model_mapping or model_mapping == "*": + native_chains = [chain for chain in native_mapping] + elif len(model_mapping) == len(native_mapping): + # ABC*:ABC* fix the first part of the mapping, try all other combinations + mapping = { + nm: mm + for nm, mm in zip(native_mapping, model_mapping) + if nm != "*" and mm != "*" + } + if model_mapping[-1] != "*" and native_mapping[-1] != "*": + # ABC:ABC use the specific mapping + model_chains = [chain for chain in model_mapping] + native_chains = [chain for chain in native_mapping] + return mapping, model_chains, native_chains + + +def format_mapping_string(chain_mapping): + chain1 = "" + chain2 = "" + + # Sorting might change LRMSD since the definition of receptor/ligand for equal length depends on order + mapping = [(b, a) for a, b in chain_mapping.items()] + for ( + model_chain, + native_chain, + ) in mapping: + chain1 += model_chain + chain2 += native_chain + + return f"{chain1}:{chain2}" + + +def product_without_dupl(*args, repeat=1): + pools = [tuple(pool) for pool in args] * repeat + result = [[]] + for pool in pools: + result = [ + x + [y] for x in result for y in pool if y not in x + ] # here we added condition + + for prod in result: + yield tuple(prod) + + +def count_chain_combinations(chain_clusters): + try: + clusters = [tuple(li) for li in chain_clusters.values()] + number_of_combinations = np.prod( + [ + int(math.factorial(len(a)) / math.factorial(len(a) - b)) + for a, b in Counter(clusters).items() + ] + ) + except ValueError: + logging.error( + """Couldn't find a match between each model-native chain specified in the mapping. +Make sure that all chains in your model have a homologous chain in the native, or specify the right subset of chains with --mapping""" + ) + sys.exit() + return number_of_combinations + + +def get_all_chain_maps( + chain_clusters, + initial_mapping, + reverse_map, + model_chains_to_combo, + native_chains_to_combo, +): + all_mappings = product_without_dupl( + *[cluster for cluster in chain_clusters.values() if cluster] + ) + for mapping in all_mappings: + chain_map = {key: value for key, value in initial_mapping.items()} + if reverse_map: + chain_map.update( + { + mapping[i]: model_chain + for i, model_chain in enumerate(model_chains_to_combo) + } + ) + else: + chain_map.update( + { + native_chain: mapping[i] + for i, native_chain in enumerate(native_chains_to_combo) + } + ) + yield chain_map + + +def get_chain_map_from_dockq(result): + chain_map = {} + for ch1, ch2 in result: + chain_map[ch1] = result[ch1, ch2]["chain1"] + chain_map[ch2] = result[ch1, ch2]["chain2"] + return chain_map + + +# @profile +def main(): + args = parse_args() + + initial_mapping, model_chains, native_chains = format_mapping( + args.mapping, args.small_molecule + ) + model_structure = load_PDB( + args.model, chains=model_chains, small_molecule=args.small_molecule + ) + native_structure = load_PDB( + args.native, chains=native_chains, small_molecule=args.small_molecule + ) + # check user-given chains are in the structures + model_chains = [c.id for c in model_structure] if not model_chains else model_chains + native_chains = ( + [c.id for c in native_structure] if not native_chains else native_chains + ) + + if len(model_chains) < 2 or len(native_chains) < 2: + print("Need at least two chains in the two inputs\n") + sys.exit() + + # permute chains and run on a for loop + best_dockq = -1 + best_result = None + best_mapping = None + + model_chains_to_combo = [ + mc for mc in model_chains if mc not in initial_mapping.values() + ] + native_chains_to_combo = [ + nc for nc in native_chains if nc not in initial_mapping.keys() + ] + + chain_clusters, reverse_map = group_chains( + model_structure, + native_structure, + model_chains_to_combo, + native_chains_to_combo, + args.allowed_mismatches, + ) + chain_maps = get_all_chain_maps( + chain_clusters, + initial_mapping, + reverse_map, + model_chains_to_combo, + native_chains_to_combo, + ) + + num_chain_combinations = count_chain_combinations(chain_clusters) + # copy iterator to use later + chain_maps, chain_maps_ = itertools.tee(chain_maps) + + low_memory = num_chain_combinations > 100 + run_chain_map = partial( + run_on_all_native_interfaces, + model_structure, + native_structure, + no_align=args.no_align, + capri_peptide=args.capri_peptide, + low_memory=low_memory, + ) + + if num_chain_combinations > 1: + cpus = min(num_chain_combinations, args.n_cpu) + chunk_size = min(args.max_chunk, max(1, num_chain_combinations // cpus)) + + # for large num_chain_combinations it should be possible to divide the chain_maps in chunks + result_this_mappings = progress_map( + run_chain_map, + chain_maps, + total=num_chain_combinations, + n_cpu=cpus, + chunk_size=chunk_size, + ) + + for chain_map, (result_this_mapping, total_dockq) in zip( + chain_maps_, result_this_mappings + ): + + if total_dockq > best_dockq: + best_dockq = total_dockq + best_result = result_this_mapping + best_mapping = chain_map + + if low_memory: # retrieve the full output by rerunning the best chain mapping + best_result, total_dockq = run_on_all_native_interfaces( + model_structure, + native_structure, + chain_map=best_mapping, + no_align=args.no_align, + capri_peptide=args.capri_peptide, + low_memory=False, + ) + + else: # skip multi-threading for single jobs (skip the bar basically) + best_mapping = next(chain_maps) + best_result, best_dockq = run_chain_map(best_mapping) + + if not best_result: + logging.error( + "Could not find interfaces in the native model. Please double check the inputs or select different chains with the --mapping flag." + ) + sys.exit(1) + + info = dict() + info["model"] = args.model + info["native"] = args.native + info["best_dockq"] = best_dockq + info["best_result"] = best_result + info["GlobalDockQ"] = best_dockq / len(best_result) + info["best_mapping"] = best_mapping + info["best_mapping_str"] = f"{format_mapping_string(best_mapping)}" + + if args.json: + with open(args.json, "w") as fp: + json.dump(info, fp) + + print_results( + info, args.short, args.verbose, args.capri_peptide, args.small_molecule + ) + + +def print_results( + info, short=False, verbose=False, capri_peptide=False, small_molecule=False +): + + score = ( + "DockQ-small_molecules" + if small_molecule + else "DockQ-capri_peptide" + if capri_peptide + else "DockQ" + ) + if short: + print( + f"Total {score} over {len(info['best_result'])} native interfaces: {info['GlobalDockQ']:.3f} with {info['best_mapping_str']} model:native mapping" + ) + for chains, results in info["best_result"].items(): + reported_measures = ( + [ + "DockQ", + "iRMSD", + "LRMSD", + "fnat", + "fnonnat", + "F1", + "clashes", + ] + if not results["is_het"] + else ["LRMSD"] + ) + hetname = f" ({results['is_het']})" if results["is_het"] else "" + score_str = " ".join( + [ + f"{item} {results[item]:.3f}" + if item != "clashes" + else f"{item} {results[item]}" + for item in reported_measures + ] + ) + print( + f"{score_str} mapping {results['chain1']}{results['chain2']}:{chains[0]}{chains[1]}{hetname} {info['model']} {results['chain1']} {results['chain2']} -> {info['native']} {chains[0]} {chains[1]}" + ) + else: + print_header(verbose, capri_peptide) + print(f"Model : {info['model']}") + print(f"Native : {info['native']}") + print( + f"Total {score} over {len(info['best_result'])} native interfaces: {info['GlobalDockQ']:.3f} with {info['best_mapping_str']} model:native mapping" + ) + for chains, results in info["best_result"].items(): + reported_measures = ( + [ + "DockQ", + "iRMSD", + "LRMSD", + "fnat", + "fnonnat", + "F1", + "clashes", + ] + if not results["is_het"] + else ["LRMSD"] + ) + hetname = f" ({results['is_het']})" if results["is_het"] else "" + print(f"Native chains: {chains[0]}, {chains[1]}{hetname}") + print(f"\tModel chains: {results['chain1']}, {results['chain2']}") + print( + "\n".join( + [ + f"\t{item}: {results[item]:.3f}" + if item != "clashes" + else f"\t{item}: {results[item]}" + for item in reported_measures + ] + ) + ) + + +def print_header(verbose=False, capri_peptide=False): + reference = ( + "* Ref: Mirabello and Wallner, 'DockQ v2: Improved automatic *\n" + "* quality measure for protein multimers, nucleic acids *\n" + "* and small molecules' *\n" + "* *\n" + "* For comments, please email: bjorn.wallner@.liu.se *" + ) + + header = ( + "****************************************************************\n" + "* DockQ *\n" + "* Docking scoring for biomolecular models *\n" + "* DockQ score legend: *\n" + "* 0.00 <= DockQ < 0.23 - Incorrect *\n" + "* 0.23 <= DockQ < 0.49 - Acceptable quality *\n" + "* 0.49 <= DockQ < 0.80 - Medium quality *\n" + "* DockQ >= 0.80 - High quality *" + ) + + if verbose: + notice = ( + "* For the record: *\n" + f"* Definition of contact <{'5A' if not capri_peptide else '4A'} (Fnat) *\n" + f"* Definition of interface <{'10A all heavy atoms (iRMSD) ' if not capri_peptide else '8A CB (iRMSD) '} *\n" + "****************************************************************" + ) + else: + notice = "****************************************************************" + + print(header) + print(reference) + print(notice) \ No newline at end of file diff --git a/benchmarks/FoldBench/evaluation/DockQv2/__init__.py b/benchmarks/FoldBench/evaluation/DockQv2/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/benchmarks/FoldBench/evaluation/DockQv2/__main__.py b/benchmarks/FoldBench/evaluation/DockQv2/__main__.py new file mode 100644 index 0000000000000000000000000000000000000000..3077441c6b13e62b554c3bef6209718d3b5527fc --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/__main__.py @@ -0,0 +1,4 @@ +from .DockQ import main + +if __name__ == "__main__": + main() diff --git a/benchmarks/FoldBench/evaluation/DockQv2/constants.py b/benchmarks/FoldBench/evaluation/DockQv2/constants.py new file mode 100644 index 0000000000000000000000000000000000000000..3e122720b6517bf0b9b88338e88ce3ad679014b7 --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/constants.py @@ -0,0 +1,151 @@ +from typing import Dict + +FNAT_THRESHOLD: float = 5.0 +FNAT_THRESHOLD_PEPTIDE: float = 4.0 +INTERFACE_THRESHOLD: float = 10.0 +INTERFACE_THRESHOLD_PEPTIDE: float = 8.0 +CLASH_THRESHOLD: float = 2.0 +BOND_TOLERANCE: float = 0.4 + +# Taken from "Beatriz Cordero, Verónica Gómez, Ana E. Platero-Prats, Marc Revés, +# Jorge Echeverría, Eduard Cremades, Flavia Barragán and Santiago Alvarez (2008). +# "Covalent radii revisited". Dalton Trans. (21): 2832–2838 +COVALENT_RADIUS: Dict = { + "H": 0.31, + "HE": 0.28, + "LI": 1.28, + "BE": 0.96, + "B": 0.84, + "C": 0.76, + "N": 0.71, + "O": 0.66, + "F": 0.57, + "NE": 0.58, + "NA": 1.66, + "MG": 1.41, + "AL": 1.21, + "SI": 1.11, + "P": 1.07, + "S": 1.05, + "CL": 1.02, + "AR": 1.06, + "K": 2.03, + "CA": 1.76, + "SC": 1.7, + "TI": 1.6, + "V": 1.53, + "CR": 1.39, + "MN": 1.5, + "FE": 1.42, + "CO": 1.38, + "NI": 1.24, + "CU": 1.32, + "ZN": 1.22, + "GA": 1.22, + "GE": 1.2, + "AS": 1.19, + "SE": 1.2, + "BR": 1.2, + "KR": 1.16, + "RB": 2.2, + "SR": 1.95, + "Y": 1.9, + "ZR": 1.75, + "NB": 1.64, + "MO": 1.54, + "TC": 1.47, + "RU": 1.46, + "RH": 1.42, + "PD": 1.39, + "AG": 1.45, + "CD": 1.44, + "IN": 1.42, + "SN": 1.39, + "SB": 1.39, + "TE": 1.38, + "I": 1.39, + "XE": 1.4, + "CS": 2.44, + "BA": 2.15, + "LA": 2.07, + "CE": 2.04, + "PR": 2.03, + "ND": 2.01, + "PM": 1.99, + "SM": 1.98, + "EU": 1.98, + "GD": 1.96, + "TB": 1.94, + "DY": 1.92, + "HO": 1.92, + "ER": 1.89, + "TM": 1.9, + "YB": 1.87, + "LU": 1.87, + "HF": 1.75, + "TA": 1.7, + "W": 1.62, + "RE": 1.51, + "OS": 1.44, + "IR": 1.41, + "PT": 1.36, + "AU": 1.36, + "HG": 1.32, + "TL": 1.45, + "PB": 1.46, + "BI": 1.48, + "PO": 1.4, + "AT": 1.5, + "RN": 1.5, + "FR": 2.6, + "RA": 2.21, + "AC": 2.15, + "TH": 2.06, + "PA": 2.0, + "U": 1.96, + "NP": 1.9, + "PU": 1.87, + "AM": 1.8, + "CM": 1.69, + "BK": 2.0, + "CF": 2.0, + "ES": 2.0, + "FM": 2.0, + "MD": 2.0, + "NO": 2.0, + "LR": 2.0, + "RF": 2.0, + "DB": 2.0, + "SG": 2.0, + "BH": 2.0, + "HS": 2.0, + "MT": 2.0, + "DS": 2.0, + "RG": 2.0, + "CN": 2.0, + "UUT": 2.0, + "UUQ": 2.0, + "UUP": 2.0, + "UUH": 2.0, + "UUS": 2.0, + "UUO": 2.0, +} + +BACKBONE_ATOMS = ( + "CA", + "C", + "N", + "O", + "P", + "OP1", + "OP2", + "O2'", + "O3'", + "O4'", + "O5'", + "C1'", + "C2'", + "C3'", + "C4'", + "C5'", +) diff --git a/benchmarks/FoldBench/evaluation/DockQv2/operations.c b/benchmarks/FoldBench/evaluation/DockQv2/operations.c new file mode 100644 index 0000000000000000000000000000000000000000..0223b3a937faac0627c02b15f7cae9916de110c0 --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/operations.c @@ -0,0 +1,30276 @@ +/* Generated by Cython 3.0.11 */ + +/* BEGIN: Cython Metadata +{ + "distutils": { + "depends": [ + "C:\\Users\\Sheng\\AppData\\Local\\Temp\\pip-build-env-3o1dtrss\\overlay\\Lib\\site-packages\\numpy\\core\\include\\numpy\\arrayobject.h", + "C:\\Users\\Sheng\\AppData\\Local\\Temp\\pip-build-env-3o1dtrss\\overlay\\Lib\\site-packages\\numpy\\core\\include\\numpy\\arrayscalars.h", + "C:\\Users\\Sheng\\AppData\\Local\\Temp\\pip-build-env-3o1dtrss\\overlay\\Lib\\site-packages\\numpy\\core\\include\\numpy\\ndarrayobject.h", + "C:\\Users\\Sheng\\AppData\\Local\\Temp\\pip-build-env-3o1dtrss\\overlay\\Lib\\site-packages\\numpy\\core\\include\\numpy\\ndarraytypes.h", + "C:\\Users\\Sheng\\AppData\\Local\\Temp\\pip-build-env-3o1dtrss\\overlay\\Lib\\site-packages\\numpy\\core\\include\\numpy\\ufuncobject.h" + ], + "include_dirs": [ + "C:\\Users\\Sheng\\AppData\\Local\\Temp\\pip-build-env-3o1dtrss\\overlay\\Lib\\site-packages\\numpy\\core\\include" + ], + "name": "DockQ.operations", + "sources": [ + "src/DockQ/operations.pyx" + ] + }, + "module_name": "DockQ.operations" +} +END: Cython Metadata */ + +#ifndef PY_SSIZE_T_CLEAN +#define PY_SSIZE_T_CLEAN +#endif /* PY_SSIZE_T_CLEAN */ +#if defined(CYTHON_LIMITED_API) && 0 + #ifndef Py_LIMITED_API + #if CYTHON_LIMITED_API+0 > 0x03030000 + #define Py_LIMITED_API CYTHON_LIMITED_API + #else + #define Py_LIMITED_API 0x03030000 + #endif + #endif +#endif + +#include "Python.h" +#ifndef Py_PYTHON_H + #error Python headers needed to compile C extensions, please install development version of Python. +#elif PY_VERSION_HEX < 0x02070000 || (0x03000000 <= PY_VERSION_HEX && PY_VERSION_HEX < 0x03030000) + #error Cython requires Python 2.7+ or Python 3.3+. +#else +#if defined(CYTHON_LIMITED_API) && CYTHON_LIMITED_API +#define __PYX_EXTRA_ABI_MODULE_NAME "limited" +#else +#define __PYX_EXTRA_ABI_MODULE_NAME "" +#endif +#define CYTHON_ABI "3_0_11" __PYX_EXTRA_ABI_MODULE_NAME +#define __PYX_ABI_MODULE_NAME "_cython_" CYTHON_ABI +#define __PYX_TYPE_MODULE_PREFIX __PYX_ABI_MODULE_NAME "." +#define CYTHON_HEX_VERSION 0x03000BF0 +#define CYTHON_FUTURE_DIVISION 1 +#include +#ifndef offsetof + #define offsetof(type, member) ( (size_t) & ((type*)0) -> member ) +#endif +#if !defined(_WIN32) && !defined(WIN32) && !defined(MS_WINDOWS) + #ifndef __stdcall + #define __stdcall + #endif + #ifndef __cdecl + #define __cdecl + #endif + #ifndef __fastcall + #define __fastcall + #endif +#endif +#ifndef DL_IMPORT + #define DL_IMPORT(t) t +#endif +#ifndef DL_EXPORT + #define DL_EXPORT(t) t +#endif +#define __PYX_COMMA , +#ifndef HAVE_LONG_LONG + #define HAVE_LONG_LONG +#endif +#ifndef PY_LONG_LONG + #define PY_LONG_LONG LONG_LONG +#endif +#ifndef Py_HUGE_VAL + #define Py_HUGE_VAL HUGE_VAL +#endif +#define __PYX_LIMITED_VERSION_HEX PY_VERSION_HEX +#if defined(GRAALVM_PYTHON) + /* For very preliminary testing purposes. Most variables are set the same as PyPy. + The existence of this section does not imply that anything works or is even tested */ + #define CYTHON_COMPILING_IN_PYPY 0 + #define CYTHON_COMPILING_IN_CPYTHON 0 + #define CYTHON_COMPILING_IN_LIMITED_API 0 + #define CYTHON_COMPILING_IN_GRAAL 1 + #define CYTHON_COMPILING_IN_NOGIL 0 + #undef CYTHON_USE_TYPE_SLOTS + #define CYTHON_USE_TYPE_SLOTS 0 + #undef CYTHON_USE_TYPE_SPECS + #define CYTHON_USE_TYPE_SPECS 0 + #undef CYTHON_USE_PYTYPE_LOOKUP + #define CYTHON_USE_PYTYPE_LOOKUP 0 + #if PY_VERSION_HEX < 0x03050000 + #undef CYTHON_USE_ASYNC_SLOTS + #define CYTHON_USE_ASYNC_SLOTS 0 + #elif !defined(CYTHON_USE_ASYNC_SLOTS) + #define CYTHON_USE_ASYNC_SLOTS 1 + #endif + #undef CYTHON_USE_PYLIST_INTERNALS + #define CYTHON_USE_PYLIST_INTERNALS 0 + #undef CYTHON_USE_UNICODE_INTERNALS + #define CYTHON_USE_UNICODE_INTERNALS 0 + #undef CYTHON_USE_UNICODE_WRITER + #define CYTHON_USE_UNICODE_WRITER 0 + #undef CYTHON_USE_PYLONG_INTERNALS + #define CYTHON_USE_PYLONG_INTERNALS 0 + #undef CYTHON_AVOID_BORROWED_REFS + #define CYTHON_AVOID_BORROWED_REFS 1 + #undef CYTHON_ASSUME_SAFE_MACROS + #define CYTHON_ASSUME_SAFE_MACROS 0 + #undef CYTHON_UNPACK_METHODS + #define CYTHON_UNPACK_METHODS 0 + #undef CYTHON_FAST_THREAD_STATE + #define CYTHON_FAST_THREAD_STATE 0 + #undef CYTHON_FAST_GIL + #define CYTHON_FAST_GIL 0 + #undef CYTHON_METH_FASTCALL + #define CYTHON_METH_FASTCALL 0 + #undef CYTHON_FAST_PYCALL + #define CYTHON_FAST_PYCALL 0 + #ifndef CYTHON_PEP487_INIT_SUBCLASS + #define CYTHON_PEP487_INIT_SUBCLASS (PY_MAJOR_VERSION >= 3) + #endif + #undef CYTHON_PEP489_MULTI_PHASE_INIT + #define CYTHON_PEP489_MULTI_PHASE_INIT 1 + #undef CYTHON_USE_MODULE_STATE + #define CYTHON_USE_MODULE_STATE 0 + #undef CYTHON_USE_TP_FINALIZE + #define CYTHON_USE_TP_FINALIZE 0 + #undef CYTHON_USE_DICT_VERSIONS + #define CYTHON_USE_DICT_VERSIONS 0 + #undef CYTHON_USE_EXC_INFO_STACK + #define CYTHON_USE_EXC_INFO_STACK 0 + #ifndef CYTHON_UPDATE_DESCRIPTOR_DOC + #define CYTHON_UPDATE_DESCRIPTOR_DOC 0 + #endif + #undef CYTHON_USE_FREELISTS + #define CYTHON_USE_FREELISTS 0 +#elif defined(PYPY_VERSION) + #define CYTHON_COMPILING_IN_PYPY 1 + #define CYTHON_COMPILING_IN_CPYTHON 0 + #define CYTHON_COMPILING_IN_LIMITED_API 0 + #define CYTHON_COMPILING_IN_GRAAL 0 + #define CYTHON_COMPILING_IN_NOGIL 0 + #undef CYTHON_USE_TYPE_SLOTS + #define CYTHON_USE_TYPE_SLOTS 0 + #ifndef CYTHON_USE_TYPE_SPECS + #define CYTHON_USE_TYPE_SPECS 0 + #endif + #undef CYTHON_USE_PYTYPE_LOOKUP + #define CYTHON_USE_PYTYPE_LOOKUP 0 + #if PY_VERSION_HEX < 0x03050000 + #undef CYTHON_USE_ASYNC_SLOTS + #define CYTHON_USE_ASYNC_SLOTS 0 + #elif !defined(CYTHON_USE_ASYNC_SLOTS) + #define CYTHON_USE_ASYNC_SLOTS 1 + #endif + #undef CYTHON_USE_PYLIST_INTERNALS + #define CYTHON_USE_PYLIST_INTERNALS 0 + #undef CYTHON_USE_UNICODE_INTERNALS + #define CYTHON_USE_UNICODE_INTERNALS 0 + #undef CYTHON_USE_UNICODE_WRITER + #define CYTHON_USE_UNICODE_WRITER 0 + #undef CYTHON_USE_PYLONG_INTERNALS + #define CYTHON_USE_PYLONG_INTERNALS 0 + #undef CYTHON_AVOID_BORROWED_REFS + #define CYTHON_AVOID_BORROWED_REFS 1 + #undef CYTHON_ASSUME_SAFE_MACROS + #define CYTHON_ASSUME_SAFE_MACROS 0 + #undef CYTHON_UNPACK_METHODS + #define CYTHON_UNPACK_METHODS 0 + #undef CYTHON_FAST_THREAD_STATE + #define CYTHON_FAST_THREAD_STATE 0 + #undef CYTHON_FAST_GIL + #define CYTHON_FAST_GIL 0 + #undef CYTHON_METH_FASTCALL + #define CYTHON_METH_FASTCALL 0 + #undef CYTHON_FAST_PYCALL + #define CYTHON_FAST_PYCALL 0 + #ifndef CYTHON_PEP487_INIT_SUBCLASS + #define CYTHON_PEP487_INIT_SUBCLASS (PY_MAJOR_VERSION >= 3) + #endif + #if PY_VERSION_HEX < 0x03090000 + #undef CYTHON_PEP489_MULTI_PHASE_INIT + #define CYTHON_PEP489_MULTI_PHASE_INIT 0 + #elif !defined(CYTHON_PEP489_MULTI_PHASE_INIT) + #define CYTHON_PEP489_MULTI_PHASE_INIT 1 + #endif + #undef CYTHON_USE_MODULE_STATE + #define CYTHON_USE_MODULE_STATE 0 + #undef CYTHON_USE_TP_FINALIZE + #define CYTHON_USE_TP_FINALIZE (PY_VERSION_HEX >= 0x030400a1 && PYPY_VERSION_NUM >= 0x07030C00) + #undef CYTHON_USE_DICT_VERSIONS + #define CYTHON_USE_DICT_VERSIONS 0 + #undef CYTHON_USE_EXC_INFO_STACK + #define CYTHON_USE_EXC_INFO_STACK 0 + #ifndef CYTHON_UPDATE_DESCRIPTOR_DOC + #define CYTHON_UPDATE_DESCRIPTOR_DOC 0 + #endif + #undef CYTHON_USE_FREELISTS + #define CYTHON_USE_FREELISTS 0 +#elif defined(CYTHON_LIMITED_API) + #ifdef Py_LIMITED_API + #undef __PYX_LIMITED_VERSION_HEX + #define __PYX_LIMITED_VERSION_HEX Py_LIMITED_API + #endif + #define CYTHON_COMPILING_IN_PYPY 0 + #define CYTHON_COMPILING_IN_CPYTHON 0 + #define CYTHON_COMPILING_IN_LIMITED_API 1 + #define CYTHON_COMPILING_IN_GRAAL 0 + #define CYTHON_COMPILING_IN_NOGIL 0 + #undef CYTHON_CLINE_IN_TRACEBACK + #define CYTHON_CLINE_IN_TRACEBACK 0 + #undef CYTHON_USE_TYPE_SLOTS + #define CYTHON_USE_TYPE_SLOTS 0 + #undef CYTHON_USE_TYPE_SPECS + #define CYTHON_USE_TYPE_SPECS 1 + #undef CYTHON_USE_PYTYPE_LOOKUP + #define CYTHON_USE_PYTYPE_LOOKUP 0 + #undef CYTHON_USE_ASYNC_SLOTS + #define CYTHON_USE_ASYNC_SLOTS 0 + #undef CYTHON_USE_PYLIST_INTERNALS + #define CYTHON_USE_PYLIST_INTERNALS 0 + #undef CYTHON_USE_UNICODE_INTERNALS + #define CYTHON_USE_UNICODE_INTERNALS 0 + #ifndef CYTHON_USE_UNICODE_WRITER + #define CYTHON_USE_UNICODE_WRITER 0 + #endif + #undef CYTHON_USE_PYLONG_INTERNALS + #define CYTHON_USE_PYLONG_INTERNALS 0 + #ifndef CYTHON_AVOID_BORROWED_REFS + #define CYTHON_AVOID_BORROWED_REFS 0 + #endif + #undef CYTHON_ASSUME_SAFE_MACROS + #define CYTHON_ASSUME_SAFE_MACROS 0 + #undef CYTHON_UNPACK_METHODS + #define CYTHON_UNPACK_METHODS 0 + #undef CYTHON_FAST_THREAD_STATE + #define CYTHON_FAST_THREAD_STATE 0 + #undef CYTHON_FAST_GIL + #define CYTHON_FAST_GIL 0 + #undef CYTHON_METH_FASTCALL + #define CYTHON_METH_FASTCALL 0 + #undef CYTHON_FAST_PYCALL + #define CYTHON_FAST_PYCALL 0 + #ifndef CYTHON_PEP487_INIT_SUBCLASS + #define CYTHON_PEP487_INIT_SUBCLASS 1 + #endif + #undef CYTHON_PEP489_MULTI_PHASE_INIT + #define CYTHON_PEP489_MULTI_PHASE_INIT 0 + #undef CYTHON_USE_MODULE_STATE + #define CYTHON_USE_MODULE_STATE 1 + #ifndef CYTHON_USE_TP_FINALIZE + #define CYTHON_USE_TP_FINALIZE 0 + #endif + #undef CYTHON_USE_DICT_VERSIONS + #define CYTHON_USE_DICT_VERSIONS 0 + #undef CYTHON_USE_EXC_INFO_STACK + #define CYTHON_USE_EXC_INFO_STACK 0 + #ifndef CYTHON_UPDATE_DESCRIPTOR_DOC + #define CYTHON_UPDATE_DESCRIPTOR_DOC 0 + #endif + #undef CYTHON_USE_FREELISTS + #define CYTHON_USE_FREELISTS 0 +#elif defined(Py_GIL_DISABLED) || defined(Py_NOGIL) + #define CYTHON_COMPILING_IN_PYPY 0 + #define CYTHON_COMPILING_IN_CPYTHON 0 + #define CYTHON_COMPILING_IN_LIMITED_API 0 + #define CYTHON_COMPILING_IN_GRAAL 0 + #define CYTHON_COMPILING_IN_NOGIL 1 + #ifndef CYTHON_USE_TYPE_SLOTS + #define CYTHON_USE_TYPE_SLOTS 1 + #endif + #ifndef CYTHON_USE_TYPE_SPECS + #define CYTHON_USE_TYPE_SPECS 0 + #endif + #undef CYTHON_USE_PYTYPE_LOOKUP + #define CYTHON_USE_PYTYPE_LOOKUP 0 + #ifndef CYTHON_USE_ASYNC_SLOTS + #define CYTHON_USE_ASYNC_SLOTS 1 + #endif + #ifndef CYTHON_USE_PYLONG_INTERNALS + #define CYTHON_USE_PYLONG_INTERNALS 0 + #endif + #undef CYTHON_USE_PYLIST_INTERNALS + #define CYTHON_USE_PYLIST_INTERNALS 0 + #ifndef CYTHON_USE_UNICODE_INTERNALS + #define CYTHON_USE_UNICODE_INTERNALS 1 + #endif + #undef CYTHON_USE_UNICODE_WRITER + #define CYTHON_USE_UNICODE_WRITER 0 + #ifndef CYTHON_AVOID_BORROWED_REFS + #define CYTHON_AVOID_BORROWED_REFS 0 + #endif + #ifndef CYTHON_ASSUME_SAFE_MACROS + #define CYTHON_ASSUME_SAFE_MACROS 1 + #endif + #ifndef CYTHON_UNPACK_METHODS + #define CYTHON_UNPACK_METHODS 1 + #endif + #undef CYTHON_FAST_THREAD_STATE + #define CYTHON_FAST_THREAD_STATE 0 + #undef CYTHON_FAST_GIL + #define CYTHON_FAST_GIL 0 + #ifndef CYTHON_METH_FASTCALL + #define CYTHON_METH_FASTCALL 1 + #endif + #undef CYTHON_FAST_PYCALL + #define CYTHON_FAST_PYCALL 0 + #ifndef CYTHON_PEP487_INIT_SUBCLASS + #define CYTHON_PEP487_INIT_SUBCLASS 1 + #endif + #ifndef CYTHON_PEP489_MULTI_PHASE_INIT + #define CYTHON_PEP489_MULTI_PHASE_INIT 1 + #endif + #ifndef CYTHON_USE_MODULE_STATE + #define CYTHON_USE_MODULE_STATE 0 + #endif + #ifndef CYTHON_USE_TP_FINALIZE + #define CYTHON_USE_TP_FINALIZE 1 + #endif + #undef CYTHON_USE_DICT_VERSIONS + #define CYTHON_USE_DICT_VERSIONS 0 + #undef CYTHON_USE_EXC_INFO_STACK + #define CYTHON_USE_EXC_INFO_STACK 0 + #ifndef CYTHON_UPDATE_DESCRIPTOR_DOC + #define CYTHON_UPDATE_DESCRIPTOR_DOC 1 + #endif + #ifndef CYTHON_USE_FREELISTS + #define CYTHON_USE_FREELISTS 0 + #endif +#else + #define CYTHON_COMPILING_IN_PYPY 0 + #define CYTHON_COMPILING_IN_CPYTHON 1 + #define CYTHON_COMPILING_IN_LIMITED_API 0 + #define CYTHON_COMPILING_IN_GRAAL 0 + #define CYTHON_COMPILING_IN_NOGIL 0 + #ifndef CYTHON_USE_TYPE_SLOTS + #define CYTHON_USE_TYPE_SLOTS 1 + #endif + #ifndef CYTHON_USE_TYPE_SPECS + #define CYTHON_USE_TYPE_SPECS 0 + #endif + #ifndef CYTHON_USE_PYTYPE_LOOKUP + #define CYTHON_USE_PYTYPE_LOOKUP 1 + #endif + #if PY_MAJOR_VERSION < 3 + #undef CYTHON_USE_ASYNC_SLOTS + #define CYTHON_USE_ASYNC_SLOTS 0 + #elif !defined(CYTHON_USE_ASYNC_SLOTS) + #define CYTHON_USE_ASYNC_SLOTS 1 + #endif + #ifndef CYTHON_USE_PYLONG_INTERNALS + #define CYTHON_USE_PYLONG_INTERNALS 1 + #endif + #ifndef CYTHON_USE_PYLIST_INTERNALS + #define CYTHON_USE_PYLIST_INTERNALS 1 + #endif + #ifndef CYTHON_USE_UNICODE_INTERNALS + #define CYTHON_USE_UNICODE_INTERNALS 1 + #endif + #if PY_VERSION_HEX < 0x030300F0 || PY_VERSION_HEX >= 0x030B00A2 + #undef CYTHON_USE_UNICODE_WRITER + #define CYTHON_USE_UNICODE_WRITER 0 + #elif !defined(CYTHON_USE_UNICODE_WRITER) + #define CYTHON_USE_UNICODE_WRITER 1 + #endif + #ifndef CYTHON_AVOID_BORROWED_REFS + #define CYTHON_AVOID_BORROWED_REFS 0 + #endif + #ifndef CYTHON_ASSUME_SAFE_MACROS + #define CYTHON_ASSUME_SAFE_MACROS 1 + #endif + #ifndef CYTHON_UNPACK_METHODS + #define CYTHON_UNPACK_METHODS 1 + #endif + #ifndef CYTHON_FAST_THREAD_STATE + #define CYTHON_FAST_THREAD_STATE 1 + #endif + #ifndef CYTHON_FAST_GIL + #define CYTHON_FAST_GIL (PY_MAJOR_VERSION < 3 || PY_VERSION_HEX >= 0x03060000 && PY_VERSION_HEX < 0x030C00A6) + #endif + #ifndef CYTHON_METH_FASTCALL + #define CYTHON_METH_FASTCALL (PY_VERSION_HEX >= 0x030700A1) + #endif + #ifndef CYTHON_FAST_PYCALL + #define CYTHON_FAST_PYCALL 1 + #endif + #ifndef CYTHON_PEP487_INIT_SUBCLASS + #define CYTHON_PEP487_INIT_SUBCLASS 1 + #endif + #if PY_VERSION_HEX < 0x03050000 + #undef CYTHON_PEP489_MULTI_PHASE_INIT + #define CYTHON_PEP489_MULTI_PHASE_INIT 0 + #elif !defined(CYTHON_PEP489_MULTI_PHASE_INIT) + #define CYTHON_PEP489_MULTI_PHASE_INIT 1 + #endif + #ifndef CYTHON_USE_MODULE_STATE + #define CYTHON_USE_MODULE_STATE 0 + #endif + #if PY_VERSION_HEX < 0x030400a1 + #undef CYTHON_USE_TP_FINALIZE + #define CYTHON_USE_TP_FINALIZE 0 + #elif !defined(CYTHON_USE_TP_FINALIZE) + #define CYTHON_USE_TP_FINALIZE 1 + #endif + #if PY_VERSION_HEX < 0x030600B1 + #undef CYTHON_USE_DICT_VERSIONS + #define CYTHON_USE_DICT_VERSIONS 0 + #elif !defined(CYTHON_USE_DICT_VERSIONS) + #define CYTHON_USE_DICT_VERSIONS (PY_VERSION_HEX < 0x030C00A5) + #endif + #if PY_VERSION_HEX < 0x030700A3 + #undef CYTHON_USE_EXC_INFO_STACK + #define CYTHON_USE_EXC_INFO_STACK 0 + #elif !defined(CYTHON_USE_EXC_INFO_STACK) + #define CYTHON_USE_EXC_INFO_STACK 1 + #endif + #ifndef CYTHON_UPDATE_DESCRIPTOR_DOC + #define CYTHON_UPDATE_DESCRIPTOR_DOC 1 + #endif + #ifndef CYTHON_USE_FREELISTS + #define CYTHON_USE_FREELISTS 1 + #endif +#endif +#if !defined(CYTHON_FAST_PYCCALL) +#define CYTHON_FAST_PYCCALL (CYTHON_FAST_PYCALL && PY_VERSION_HEX >= 0x030600B1) +#endif +#if !defined(CYTHON_VECTORCALL) +#define CYTHON_VECTORCALL (CYTHON_FAST_PYCCALL && PY_VERSION_HEX >= 0x030800B1) +#endif +#define CYTHON_BACKPORT_VECTORCALL (CYTHON_METH_FASTCALL && PY_VERSION_HEX < 0x030800B1) +#if CYTHON_USE_PYLONG_INTERNALS + #if PY_MAJOR_VERSION < 3 + #include "longintrepr.h" + #endif + #undef SHIFT + #undef BASE + #undef MASK + #ifdef SIZEOF_VOID_P + enum { __pyx_check_sizeof_voidp = 1 / (int)(SIZEOF_VOID_P == sizeof(void*)) }; + #endif +#endif +#ifndef __has_attribute + #define __has_attribute(x) 0 +#endif +#ifndef __has_cpp_attribute + #define __has_cpp_attribute(x) 0 +#endif +#ifndef CYTHON_RESTRICT + #if defined(__GNUC__) + #define CYTHON_RESTRICT __restrict__ + #elif defined(_MSC_VER) && _MSC_VER >= 1400 + #define CYTHON_RESTRICT __restrict + #elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L + #define CYTHON_RESTRICT restrict + #else + #define CYTHON_RESTRICT + #endif +#endif +#ifndef CYTHON_UNUSED + #if defined(__cplusplus) + /* for clang __has_cpp_attribute(maybe_unused) is true even before C++17 + * but leads to warnings with -pedantic, since it is a C++17 feature */ + #if ((defined(_MSVC_LANG) && _MSVC_LANG >= 201703L) || __cplusplus >= 201703L) + #if __has_cpp_attribute(maybe_unused) + #define CYTHON_UNUSED [[maybe_unused]] + #endif + #endif + #endif +#endif +#ifndef CYTHON_UNUSED +# if defined(__GNUC__) +# if !(defined(__cplusplus)) || (__GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)) +# define CYTHON_UNUSED __attribute__ ((__unused__)) +# else +# define CYTHON_UNUSED +# endif +# elif defined(__ICC) || (defined(__INTEL_COMPILER) && !defined(_MSC_VER)) +# define CYTHON_UNUSED __attribute__ ((__unused__)) +# else +# define CYTHON_UNUSED +# endif +#endif +#ifndef CYTHON_UNUSED_VAR +# if defined(__cplusplus) + template void CYTHON_UNUSED_VAR( const T& ) { } +# else +# define CYTHON_UNUSED_VAR(x) (void)(x) +# endif +#endif +#ifndef CYTHON_MAYBE_UNUSED_VAR + #define CYTHON_MAYBE_UNUSED_VAR(x) CYTHON_UNUSED_VAR(x) +#endif +#ifndef CYTHON_NCP_UNUSED +# if CYTHON_COMPILING_IN_CPYTHON +# define CYTHON_NCP_UNUSED +# else +# define CYTHON_NCP_UNUSED CYTHON_UNUSED +# endif +#endif +#ifndef CYTHON_USE_CPP_STD_MOVE + #if defined(__cplusplus) && (\ + __cplusplus >= 201103L || (defined(_MSC_VER) && _MSC_VER >= 1600)) + #define CYTHON_USE_CPP_STD_MOVE 1 + #else + #define CYTHON_USE_CPP_STD_MOVE 0 + #endif +#endif +#define __Pyx_void_to_None(void_result) ((void)(void_result), Py_INCREF(Py_None), Py_None) +#ifdef _MSC_VER + #ifndef _MSC_STDINT_H_ + #if _MSC_VER < 1300 + typedef unsigned char uint8_t; + typedef unsigned short uint16_t; + typedef unsigned int uint32_t; + #else + typedef unsigned __int8 uint8_t; + typedef unsigned __int16 uint16_t; + typedef unsigned __int32 uint32_t; + #endif + #endif + #if _MSC_VER < 1300 + #ifdef _WIN64 + typedef unsigned long long __pyx_uintptr_t; + #else + typedef unsigned int __pyx_uintptr_t; + #endif + #else + #ifdef _WIN64 + typedef unsigned __int64 __pyx_uintptr_t; + #else + typedef unsigned __int32 __pyx_uintptr_t; + #endif + #endif +#else + #include + typedef uintptr_t __pyx_uintptr_t; +#endif +#ifndef CYTHON_FALLTHROUGH + #if defined(__cplusplus) + /* for clang __has_cpp_attribute(fallthrough) is true even before C++17 + * but leads to warnings with -pedantic, since it is a C++17 feature */ + #if ((defined(_MSVC_LANG) && _MSVC_LANG >= 201703L) || __cplusplus >= 201703L) + #if __has_cpp_attribute(fallthrough) + #define CYTHON_FALLTHROUGH [[fallthrough]] + #endif + #endif + #ifndef CYTHON_FALLTHROUGH + #if __has_cpp_attribute(clang::fallthrough) + #define CYTHON_FALLTHROUGH [[clang::fallthrough]] + #elif __has_cpp_attribute(gnu::fallthrough) + #define CYTHON_FALLTHROUGH [[gnu::fallthrough]] + #endif + #endif + #endif + #ifndef CYTHON_FALLTHROUGH + #if __has_attribute(fallthrough) + #define CYTHON_FALLTHROUGH __attribute__((fallthrough)) + #else + #define CYTHON_FALLTHROUGH + #endif + #endif + #if defined(__clang__) && defined(__apple_build_version__) + #if __apple_build_version__ < 7000000 + #undef CYTHON_FALLTHROUGH + #define CYTHON_FALLTHROUGH + #endif + #endif +#endif +#ifdef __cplusplus + template + struct __PYX_IS_UNSIGNED_IMPL {static const bool value = T(0) < T(-1);}; + #define __PYX_IS_UNSIGNED(type) (__PYX_IS_UNSIGNED_IMPL::value) +#else + #define __PYX_IS_UNSIGNED(type) (((type)-1) > 0) +#endif +#if CYTHON_COMPILING_IN_PYPY == 1 + #define __PYX_NEED_TP_PRINT_SLOT (PY_VERSION_HEX >= 0x030800b4 && PY_VERSION_HEX < 0x030A0000) +#else + #define __PYX_NEED_TP_PRINT_SLOT (PY_VERSION_HEX >= 0x030800b4 && PY_VERSION_HEX < 0x03090000) +#endif +#define __PYX_REINTERPRET_FUNCION(func_pointer, other_pointer) ((func_pointer)(void(*)(void))(other_pointer)) + +#ifndef CYTHON_INLINE + #if defined(__clang__) + #define CYTHON_INLINE __inline__ __attribute__ ((__unused__)) + #elif defined(__GNUC__) + #define CYTHON_INLINE __inline__ + #elif defined(_MSC_VER) + #define CYTHON_INLINE __inline + #elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L + #define CYTHON_INLINE inline + #else + #define CYTHON_INLINE + #endif +#endif + +#define __PYX_BUILD_PY_SSIZE_T "n" +#define CYTHON_FORMAT_SSIZE_T "z" +#if PY_MAJOR_VERSION < 3 + #define __Pyx_BUILTIN_MODULE_NAME "__builtin__" + #define __Pyx_DefaultClassType PyClass_Type + #define __Pyx_PyCode_New(a, p, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos)\ + PyCode_New(a+k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) +#else + #define __Pyx_BUILTIN_MODULE_NAME "builtins" + #define __Pyx_DefaultClassType PyType_Type +#if CYTHON_COMPILING_IN_LIMITED_API + static CYTHON_INLINE PyObject* __Pyx_PyCode_New(int a, int p, int k, int l, int s, int f, + PyObject *code, PyObject *c, PyObject* n, PyObject *v, + PyObject *fv, PyObject *cell, PyObject* fn, + PyObject *name, int fline, PyObject *lnos) { + PyObject *exception_table = NULL; + PyObject *types_module=NULL, *code_type=NULL, *result=NULL; + #if __PYX_LIMITED_VERSION_HEX < 0x030B0000 + PyObject *version_info; + PyObject *py_minor_version = NULL; + #endif + long minor_version = 0; + PyObject *type, *value, *traceback; + PyErr_Fetch(&type, &value, &traceback); + #if __PYX_LIMITED_VERSION_HEX >= 0x030B0000 + minor_version = 11; + #else + if (!(version_info = PySys_GetObject("version_info"))) goto end; + if (!(py_minor_version = PySequence_GetItem(version_info, 1))) goto end; + minor_version = PyLong_AsLong(py_minor_version); + Py_DECREF(py_minor_version); + if (minor_version == -1 && PyErr_Occurred()) goto end; + #endif + if (!(types_module = PyImport_ImportModule("types"))) goto end; + if (!(code_type = PyObject_GetAttrString(types_module, "CodeType"))) goto end; + if (minor_version <= 7) { + (void)p; + result = PyObject_CallFunction(code_type, "iiiiiOOOOOOiOO", a, k, l, s, f, code, + c, n, v, fn, name, fline, lnos, fv, cell); + } else if (minor_version <= 10) { + result = PyObject_CallFunction(code_type, "iiiiiiOOOOOOiOO", a,p, k, l, s, f, code, + c, n, v, fn, name, fline, lnos, fv, cell); + } else { + if (!(exception_table = PyBytes_FromStringAndSize(NULL, 0))) goto end; + result = PyObject_CallFunction(code_type, "iiiiiiOOOOOOOiOO", a,p, k, l, s, f, code, + c, n, v, fn, name, name, fline, lnos, exception_table, fv, cell); + } + end: + Py_XDECREF(code_type); + Py_XDECREF(exception_table); + Py_XDECREF(types_module); + if (type) { + PyErr_Restore(type, value, traceback); + } + return result; + } + #ifndef CO_OPTIMIZED + #define CO_OPTIMIZED 0x0001 + #endif + #ifndef CO_NEWLOCALS + #define CO_NEWLOCALS 0x0002 + #endif + #ifndef CO_VARARGS + #define CO_VARARGS 0x0004 + #endif + #ifndef CO_VARKEYWORDS + #define CO_VARKEYWORDS 0x0008 + #endif + #ifndef CO_ASYNC_GENERATOR + #define CO_ASYNC_GENERATOR 0x0200 + #endif + #ifndef CO_GENERATOR + #define CO_GENERATOR 0x0020 + #endif + #ifndef CO_COROUTINE + #define CO_COROUTINE 0x0080 + #endif +#elif PY_VERSION_HEX >= 0x030B0000 + static CYTHON_INLINE PyCodeObject* __Pyx_PyCode_New(int a, int p, int k, int l, int s, int f, + PyObject *code, PyObject *c, PyObject* n, PyObject *v, + PyObject *fv, PyObject *cell, PyObject* fn, + PyObject *name, int fline, PyObject *lnos) { + PyCodeObject *result; + PyObject *empty_bytes = PyBytes_FromStringAndSize("", 0); + if (!empty_bytes) return NULL; + result = + #if PY_VERSION_HEX >= 0x030C0000 + PyUnstable_Code_NewWithPosOnlyArgs + #else + PyCode_NewWithPosOnlyArgs + #endif + (a, p, k, l, s, f, code, c, n, v, fv, cell, fn, name, name, fline, lnos, empty_bytes); + Py_DECREF(empty_bytes); + return result; + } +#elif PY_VERSION_HEX >= 0x030800B2 && !CYTHON_COMPILING_IN_PYPY + #define __Pyx_PyCode_New(a, p, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos)\ + PyCode_NewWithPosOnlyArgs(a, p, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) +#else + #define __Pyx_PyCode_New(a, p, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos)\ + PyCode_New(a, k, l, s, f, code, c, n, v, fv, cell, fn, name, fline, lnos) +#endif +#endif +#if PY_VERSION_HEX >= 0x030900A4 || defined(Py_IS_TYPE) + #define __Pyx_IS_TYPE(ob, type) Py_IS_TYPE(ob, type) +#else + #define __Pyx_IS_TYPE(ob, type) (((const PyObject*)ob)->ob_type == (type)) +#endif +#if PY_VERSION_HEX >= 0x030A00B1 || defined(Py_Is) + #define __Pyx_Py_Is(x, y) Py_Is(x, y) +#else + #define __Pyx_Py_Is(x, y) ((x) == (y)) +#endif +#if PY_VERSION_HEX >= 0x030A00B1 || defined(Py_IsNone) + #define __Pyx_Py_IsNone(ob) Py_IsNone(ob) +#else + #define __Pyx_Py_IsNone(ob) __Pyx_Py_Is((ob), Py_None) +#endif +#if PY_VERSION_HEX >= 0x030A00B1 || defined(Py_IsTrue) + #define __Pyx_Py_IsTrue(ob) Py_IsTrue(ob) +#else + #define __Pyx_Py_IsTrue(ob) __Pyx_Py_Is((ob), Py_True) +#endif +#if PY_VERSION_HEX >= 0x030A00B1 || defined(Py_IsFalse) + #define __Pyx_Py_IsFalse(ob) Py_IsFalse(ob) +#else + #define __Pyx_Py_IsFalse(ob) __Pyx_Py_Is((ob), Py_False) +#endif +#define __Pyx_NoneAsNull(obj) (__Pyx_Py_IsNone(obj) ? NULL : (obj)) +#if PY_VERSION_HEX >= 0x030900F0 && !CYTHON_COMPILING_IN_PYPY + #define __Pyx_PyObject_GC_IsFinalized(o) PyObject_GC_IsFinalized(o) +#else + #define __Pyx_PyObject_GC_IsFinalized(o) _PyGC_FINALIZED(o) +#endif +#ifndef CO_COROUTINE + #define CO_COROUTINE 0x80 +#endif +#ifndef CO_ASYNC_GENERATOR + #define CO_ASYNC_GENERATOR 0x200 +#endif +#ifndef Py_TPFLAGS_CHECKTYPES + #define Py_TPFLAGS_CHECKTYPES 0 +#endif +#ifndef Py_TPFLAGS_HAVE_INDEX + #define Py_TPFLAGS_HAVE_INDEX 0 +#endif +#ifndef Py_TPFLAGS_HAVE_NEWBUFFER + #define Py_TPFLAGS_HAVE_NEWBUFFER 0 +#endif +#ifndef Py_TPFLAGS_HAVE_FINALIZE + #define Py_TPFLAGS_HAVE_FINALIZE 0 +#endif +#ifndef Py_TPFLAGS_SEQUENCE + #define Py_TPFLAGS_SEQUENCE 0 +#endif +#ifndef Py_TPFLAGS_MAPPING + #define Py_TPFLAGS_MAPPING 0 +#endif +#ifndef METH_STACKLESS + #define METH_STACKLESS 0 +#endif +#if PY_VERSION_HEX <= 0x030700A3 || !defined(METH_FASTCALL) + #ifndef METH_FASTCALL + #define METH_FASTCALL 0x80 + #endif + typedef PyObject *(*__Pyx_PyCFunctionFast) (PyObject *self, PyObject *const *args, Py_ssize_t nargs); + typedef PyObject *(*__Pyx_PyCFunctionFastWithKeywords) (PyObject *self, PyObject *const *args, + Py_ssize_t nargs, PyObject *kwnames); +#else + #if PY_VERSION_HEX >= 0x030d00A4 + # define __Pyx_PyCFunctionFast PyCFunctionFast + # define __Pyx_PyCFunctionFastWithKeywords PyCFunctionFastWithKeywords + #else + # define __Pyx_PyCFunctionFast _PyCFunctionFast + # define __Pyx_PyCFunctionFastWithKeywords _PyCFunctionFastWithKeywords + #endif +#endif +#if CYTHON_METH_FASTCALL + #define __Pyx_METH_FASTCALL METH_FASTCALL + #define __Pyx_PyCFunction_FastCall __Pyx_PyCFunctionFast + #define __Pyx_PyCFunction_FastCallWithKeywords __Pyx_PyCFunctionFastWithKeywords +#else + #define __Pyx_METH_FASTCALL METH_VARARGS + #define __Pyx_PyCFunction_FastCall PyCFunction + #define __Pyx_PyCFunction_FastCallWithKeywords PyCFunctionWithKeywords +#endif +#if CYTHON_VECTORCALL + #define __pyx_vectorcallfunc vectorcallfunc + #define __Pyx_PY_VECTORCALL_ARGUMENTS_OFFSET PY_VECTORCALL_ARGUMENTS_OFFSET + #define __Pyx_PyVectorcall_NARGS(n) PyVectorcall_NARGS((size_t)(n)) +#elif CYTHON_BACKPORT_VECTORCALL + typedef PyObject *(*__pyx_vectorcallfunc)(PyObject *callable, PyObject *const *args, + size_t nargsf, PyObject *kwnames); + #define __Pyx_PY_VECTORCALL_ARGUMENTS_OFFSET ((size_t)1 << (8 * sizeof(size_t) - 1)) + #define __Pyx_PyVectorcall_NARGS(n) ((Py_ssize_t)(((size_t)(n)) & ~__Pyx_PY_VECTORCALL_ARGUMENTS_OFFSET)) +#else + #define __Pyx_PY_VECTORCALL_ARGUMENTS_OFFSET 0 + #define __Pyx_PyVectorcall_NARGS(n) ((Py_ssize_t)(n)) +#endif +#if PY_MAJOR_VERSION >= 0x030900B1 +#define __Pyx_PyCFunction_CheckExact(func) PyCFunction_CheckExact(func) +#else +#define __Pyx_PyCFunction_CheckExact(func) PyCFunction_Check(func) +#endif +#define __Pyx_CyOrPyCFunction_Check(func) PyCFunction_Check(func) +#if CYTHON_COMPILING_IN_CPYTHON +#define __Pyx_CyOrPyCFunction_GET_FUNCTION(func) (((PyCFunctionObject*)(func))->m_ml->ml_meth) +#elif !CYTHON_COMPILING_IN_LIMITED_API +#define __Pyx_CyOrPyCFunction_GET_FUNCTION(func) PyCFunction_GET_FUNCTION(func) +#endif +#if CYTHON_COMPILING_IN_CPYTHON +#define __Pyx_CyOrPyCFunction_GET_FLAGS(func) (((PyCFunctionObject*)(func))->m_ml->ml_flags) +static CYTHON_INLINE PyObject* __Pyx_CyOrPyCFunction_GET_SELF(PyObject *func) { + return (__Pyx_CyOrPyCFunction_GET_FLAGS(func) & METH_STATIC) ? NULL : ((PyCFunctionObject*)func)->m_self; +} +#endif +static CYTHON_INLINE int __Pyx__IsSameCFunction(PyObject *func, void *cfunc) { +#if CYTHON_COMPILING_IN_LIMITED_API + return PyCFunction_Check(func) && PyCFunction_GetFunction(func) == (PyCFunction) cfunc; +#else + return PyCFunction_Check(func) && PyCFunction_GET_FUNCTION(func) == (PyCFunction) cfunc; +#endif +} +#define __Pyx_IsSameCFunction(func, cfunc) __Pyx__IsSameCFunction(func, cfunc) +#if __PYX_LIMITED_VERSION_HEX < 0x030900B1 + #define __Pyx_PyType_FromModuleAndSpec(m, s, b) ((void)m, PyType_FromSpecWithBases(s, b)) + typedef PyObject *(*__Pyx_PyCMethod)(PyObject *, PyTypeObject *, PyObject *const *, size_t, PyObject *); +#else + #define __Pyx_PyType_FromModuleAndSpec(m, s, b) PyType_FromModuleAndSpec(m, s, b) + #define __Pyx_PyCMethod PyCMethod +#endif +#ifndef METH_METHOD + #define METH_METHOD 0x200 +#endif +#if CYTHON_COMPILING_IN_PYPY && !defined(PyObject_Malloc) + #define PyObject_Malloc(s) PyMem_Malloc(s) + #define PyObject_Free(p) PyMem_Free(p) + #define PyObject_Realloc(p) PyMem_Realloc(p) +#endif +#if CYTHON_COMPILING_IN_LIMITED_API + #define __Pyx_PyCode_HasFreeVars(co) (PyCode_GetNumFree(co) > 0) + #define __Pyx_PyFrame_SetLineNumber(frame, lineno) +#else + #define __Pyx_PyCode_HasFreeVars(co) (PyCode_GetNumFree(co) > 0) + #define __Pyx_PyFrame_SetLineNumber(frame, lineno) (frame)->f_lineno = (lineno) +#endif +#if CYTHON_COMPILING_IN_LIMITED_API + #define __Pyx_PyThreadState_Current PyThreadState_Get() +#elif !CYTHON_FAST_THREAD_STATE + #define __Pyx_PyThreadState_Current PyThreadState_GET() +#elif PY_VERSION_HEX >= 0x030d00A1 + #define __Pyx_PyThreadState_Current PyThreadState_GetUnchecked() +#elif PY_VERSION_HEX >= 0x03060000 + #define __Pyx_PyThreadState_Current _PyThreadState_UncheckedGet() +#elif PY_VERSION_HEX >= 0x03000000 + #define __Pyx_PyThreadState_Current PyThreadState_GET() +#else + #define __Pyx_PyThreadState_Current _PyThreadState_Current +#endif +#if CYTHON_COMPILING_IN_LIMITED_API +static CYTHON_INLINE void *__Pyx_PyModule_GetState(PyObject *op) +{ + void *result; + result = PyModule_GetState(op); + if (!result) + Py_FatalError("Couldn't find the module state"); + return result; +} +#endif +#define __Pyx_PyObject_GetSlot(obj, name, func_ctype) __Pyx_PyType_GetSlot(Py_TYPE(obj), name, func_ctype) +#if CYTHON_COMPILING_IN_LIMITED_API + #define __Pyx_PyType_GetSlot(type, name, func_ctype) ((func_ctype) PyType_GetSlot((type), Py_##name)) +#else + #define __Pyx_PyType_GetSlot(type, name, func_ctype) ((type)->name) +#endif +#if PY_VERSION_HEX < 0x030700A2 && !defined(PyThread_tss_create) && !defined(Py_tss_NEEDS_INIT) +#include "pythread.h" +#define Py_tss_NEEDS_INIT 0 +typedef int Py_tss_t; +static CYTHON_INLINE int PyThread_tss_create(Py_tss_t *key) { + *key = PyThread_create_key(); + return 0; +} +static CYTHON_INLINE Py_tss_t * PyThread_tss_alloc(void) { + Py_tss_t *key = (Py_tss_t *)PyObject_Malloc(sizeof(Py_tss_t)); + *key = Py_tss_NEEDS_INIT; + return key; +} +static CYTHON_INLINE void PyThread_tss_free(Py_tss_t *key) { + PyObject_Free(key); +} +static CYTHON_INLINE int PyThread_tss_is_created(Py_tss_t *key) { + return *key != Py_tss_NEEDS_INIT; +} +static CYTHON_INLINE void PyThread_tss_delete(Py_tss_t *key) { + PyThread_delete_key(*key); + *key = Py_tss_NEEDS_INIT; +} +static CYTHON_INLINE int PyThread_tss_set(Py_tss_t *key, void *value) { + return PyThread_set_key_value(*key, value); +} +static CYTHON_INLINE void * PyThread_tss_get(Py_tss_t *key) { + return PyThread_get_key_value(*key); +} +#endif +#if PY_MAJOR_VERSION < 3 + #if CYTHON_COMPILING_IN_PYPY + #if PYPY_VERSION_NUM < 0x07030600 + #if defined(__cplusplus) && __cplusplus >= 201402L + [[deprecated("`with nogil:` inside a nogil function will not release the GIL in PyPy2 < 7.3.6")]] + #elif defined(__GNUC__) || defined(__clang__) + __attribute__ ((__deprecated__("`with nogil:` inside a nogil function will not release the GIL in PyPy2 < 7.3.6"))) + #elif defined(_MSC_VER) + __declspec(deprecated("`with nogil:` inside a nogil function will not release the GIL in PyPy2 < 7.3.6")) + #endif + static CYTHON_INLINE int PyGILState_Check(void) { + return 0; + } + #else // PYPY_VERSION_NUM < 0x07030600 + #endif // PYPY_VERSION_NUM < 0x07030600 + #else + static CYTHON_INLINE int PyGILState_Check(void) { + PyThreadState * tstate = _PyThreadState_Current; + return tstate && (tstate == PyGILState_GetThisThreadState()); + } + #endif +#endif +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX < 0x030d0000 || defined(_PyDict_NewPresized) +#define __Pyx_PyDict_NewPresized(n) ((n <= 8) ? PyDict_New() : _PyDict_NewPresized(n)) +#else +#define __Pyx_PyDict_NewPresized(n) PyDict_New() +#endif +#if PY_MAJOR_VERSION >= 3 || CYTHON_FUTURE_DIVISION + #define __Pyx_PyNumber_Divide(x,y) PyNumber_TrueDivide(x,y) + #define __Pyx_PyNumber_InPlaceDivide(x,y) PyNumber_InPlaceTrueDivide(x,y) +#else + #define __Pyx_PyNumber_Divide(x,y) PyNumber_Divide(x,y) + #define __Pyx_PyNumber_InPlaceDivide(x,y) PyNumber_InPlaceDivide(x,y) +#endif +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX > 0x030600B4 && PY_VERSION_HEX < 0x030d0000 && CYTHON_USE_UNICODE_INTERNALS +#define __Pyx_PyDict_GetItemStrWithError(dict, name) _PyDict_GetItem_KnownHash(dict, name, ((PyASCIIObject *) name)->hash) +static CYTHON_INLINE PyObject * __Pyx_PyDict_GetItemStr(PyObject *dict, PyObject *name) { + PyObject *res = __Pyx_PyDict_GetItemStrWithError(dict, name); + if (res == NULL) PyErr_Clear(); + return res; +} +#elif PY_MAJOR_VERSION >= 3 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM >= 0x07020000) +#define __Pyx_PyDict_GetItemStrWithError PyDict_GetItemWithError +#define __Pyx_PyDict_GetItemStr PyDict_GetItem +#else +static CYTHON_INLINE PyObject * __Pyx_PyDict_GetItemStrWithError(PyObject *dict, PyObject *name) { +#if CYTHON_COMPILING_IN_PYPY + return PyDict_GetItem(dict, name); +#else + PyDictEntry *ep; + PyDictObject *mp = (PyDictObject*) dict; + long hash = ((PyStringObject *) name)->ob_shash; + assert(hash != -1); + ep = (mp->ma_lookup)(mp, name, hash); + if (ep == NULL) { + return NULL; + } + return ep->me_value; +#endif +} +#define __Pyx_PyDict_GetItemStr PyDict_GetItem +#endif +#if CYTHON_USE_TYPE_SLOTS + #define __Pyx_PyType_GetFlags(tp) (((PyTypeObject *)tp)->tp_flags) + #define __Pyx_PyType_HasFeature(type, feature) ((__Pyx_PyType_GetFlags(type) & (feature)) != 0) + #define __Pyx_PyObject_GetIterNextFunc(obj) (Py_TYPE(obj)->tp_iternext) +#else + #define __Pyx_PyType_GetFlags(tp) (PyType_GetFlags((PyTypeObject *)tp)) + #define __Pyx_PyType_HasFeature(type, feature) PyType_HasFeature(type, feature) + #define __Pyx_PyObject_GetIterNextFunc(obj) PyIter_Next +#endif +#if CYTHON_COMPILING_IN_LIMITED_API + #define __Pyx_SetItemOnTypeDict(tp, k, v) PyObject_GenericSetAttr((PyObject*)tp, k, v) +#else + #define __Pyx_SetItemOnTypeDict(tp, k, v) PyDict_SetItem(tp->tp_dict, k, v) +#endif +#if CYTHON_USE_TYPE_SPECS && PY_VERSION_HEX >= 0x03080000 +#define __Pyx_PyHeapTypeObject_GC_Del(obj) {\ + PyTypeObject *type = Py_TYPE((PyObject*)obj);\ + assert(__Pyx_PyType_HasFeature(type, Py_TPFLAGS_HEAPTYPE));\ + PyObject_GC_Del(obj);\ + Py_DECREF(type);\ +} +#else +#define __Pyx_PyHeapTypeObject_GC_Del(obj) PyObject_GC_Del(obj) +#endif +#if CYTHON_COMPILING_IN_LIMITED_API + #define CYTHON_PEP393_ENABLED 1 + #define __Pyx_PyUnicode_READY(op) (0) + #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GetLength(u) + #define __Pyx_PyUnicode_READ_CHAR(u, i) PyUnicode_ReadChar(u, i) + #define __Pyx_PyUnicode_MAX_CHAR_VALUE(u) ((void)u, 1114111U) + #define __Pyx_PyUnicode_KIND(u) ((void)u, (0)) + #define __Pyx_PyUnicode_DATA(u) ((void*)u) + #define __Pyx_PyUnicode_READ(k, d, i) ((void)k, PyUnicode_ReadChar((PyObject*)(d), i)) + #define __Pyx_PyUnicode_IS_TRUE(u) (0 != PyUnicode_GetLength(u)) +#elif PY_VERSION_HEX > 0x03030000 && defined(PyUnicode_KIND) + #define CYTHON_PEP393_ENABLED 1 + #if PY_VERSION_HEX >= 0x030C0000 + #define __Pyx_PyUnicode_READY(op) (0) + #else + #define __Pyx_PyUnicode_READY(op) (likely(PyUnicode_IS_READY(op)) ?\ + 0 : _PyUnicode_Ready((PyObject *)(op))) + #endif + #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GET_LENGTH(u) + #define __Pyx_PyUnicode_READ_CHAR(u, i) PyUnicode_READ_CHAR(u, i) + #define __Pyx_PyUnicode_MAX_CHAR_VALUE(u) PyUnicode_MAX_CHAR_VALUE(u) + #define __Pyx_PyUnicode_KIND(u) ((int)PyUnicode_KIND(u)) + #define __Pyx_PyUnicode_DATA(u) PyUnicode_DATA(u) + #define __Pyx_PyUnicode_READ(k, d, i) PyUnicode_READ(k, d, i) + #define __Pyx_PyUnicode_WRITE(k, d, i, ch) PyUnicode_WRITE(k, d, i, (Py_UCS4) ch) + #if PY_VERSION_HEX >= 0x030C0000 + #define __Pyx_PyUnicode_IS_TRUE(u) (0 != PyUnicode_GET_LENGTH(u)) + #else + #if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x03090000 + #define __Pyx_PyUnicode_IS_TRUE(u) (0 != (likely(PyUnicode_IS_READY(u)) ? PyUnicode_GET_LENGTH(u) : ((PyCompactUnicodeObject *)(u))->wstr_length)) + #else + #define __Pyx_PyUnicode_IS_TRUE(u) (0 != (likely(PyUnicode_IS_READY(u)) ? PyUnicode_GET_LENGTH(u) : PyUnicode_GET_SIZE(u))) + #endif + #endif +#else + #define CYTHON_PEP393_ENABLED 0 + #define PyUnicode_1BYTE_KIND 1 + #define PyUnicode_2BYTE_KIND 2 + #define PyUnicode_4BYTE_KIND 4 + #define __Pyx_PyUnicode_READY(op) (0) + #define __Pyx_PyUnicode_GET_LENGTH(u) PyUnicode_GET_SIZE(u) + #define __Pyx_PyUnicode_READ_CHAR(u, i) ((Py_UCS4)(PyUnicode_AS_UNICODE(u)[i])) + #define __Pyx_PyUnicode_MAX_CHAR_VALUE(u) ((sizeof(Py_UNICODE) == 2) ? 65535U : 1114111U) + #define __Pyx_PyUnicode_KIND(u) ((int)sizeof(Py_UNICODE)) + #define __Pyx_PyUnicode_DATA(u) ((void*)PyUnicode_AS_UNICODE(u)) + #define __Pyx_PyUnicode_READ(k, d, i) ((void)(k), (Py_UCS4)(((Py_UNICODE*)d)[i])) + #define __Pyx_PyUnicode_WRITE(k, d, i, ch) (((void)(k)), ((Py_UNICODE*)d)[i] = (Py_UNICODE) ch) + #define __Pyx_PyUnicode_IS_TRUE(u) (0 != PyUnicode_GET_SIZE(u)) +#endif +#if CYTHON_COMPILING_IN_PYPY + #define __Pyx_PyUnicode_Concat(a, b) PyNumber_Add(a, b) + #define __Pyx_PyUnicode_ConcatSafe(a, b) PyNumber_Add(a, b) +#else + #define __Pyx_PyUnicode_Concat(a, b) PyUnicode_Concat(a, b) + #define __Pyx_PyUnicode_ConcatSafe(a, b) ((unlikely((a) == Py_None) || unlikely((b) == Py_None)) ?\ + PyNumber_Add(a, b) : __Pyx_PyUnicode_Concat(a, b)) +#endif +#if CYTHON_COMPILING_IN_PYPY + #if !defined(PyUnicode_DecodeUnicodeEscape) + #define PyUnicode_DecodeUnicodeEscape(s, size, errors) PyUnicode_Decode(s, size, "unicode_escape", errors) + #endif + #if !defined(PyUnicode_Contains) || (PY_MAJOR_VERSION == 2 && PYPY_VERSION_NUM < 0x07030500) + #undef PyUnicode_Contains + #define PyUnicode_Contains(u, s) PySequence_Contains(u, s) + #endif + #if !defined(PyByteArray_Check) + #define PyByteArray_Check(obj) PyObject_TypeCheck(obj, &PyByteArray_Type) + #endif + #if !defined(PyObject_Format) + #define PyObject_Format(obj, fmt) PyObject_CallMethod(obj, "__format__", "O", fmt) + #endif +#endif +#define __Pyx_PyString_FormatSafe(a, b) ((unlikely((a) == Py_None || (PyString_Check(b) && !PyString_CheckExact(b)))) ? PyNumber_Remainder(a, b) : __Pyx_PyString_Format(a, b)) +#define __Pyx_PyUnicode_FormatSafe(a, b) ((unlikely((a) == Py_None || (PyUnicode_Check(b) && !PyUnicode_CheckExact(b)))) ? PyNumber_Remainder(a, b) : PyUnicode_Format(a, b)) +#if PY_MAJOR_VERSION >= 3 + #define __Pyx_PyString_Format(a, b) PyUnicode_Format(a, b) +#else + #define __Pyx_PyString_Format(a, b) PyString_Format(a, b) +#endif +#if PY_MAJOR_VERSION < 3 && !defined(PyObject_ASCII) + #define PyObject_ASCII(o) PyObject_Repr(o) +#endif +#if PY_MAJOR_VERSION >= 3 + #define PyBaseString_Type PyUnicode_Type + #define PyStringObject PyUnicodeObject + #define PyString_Type PyUnicode_Type + #define PyString_Check PyUnicode_Check + #define PyString_CheckExact PyUnicode_CheckExact +#ifndef PyObject_Unicode + #define PyObject_Unicode PyObject_Str +#endif +#endif +#if PY_MAJOR_VERSION >= 3 + #define __Pyx_PyBaseString_Check(obj) PyUnicode_Check(obj) + #define __Pyx_PyBaseString_CheckExact(obj) PyUnicode_CheckExact(obj) +#else + #define __Pyx_PyBaseString_Check(obj) (PyString_Check(obj) || PyUnicode_Check(obj)) + #define __Pyx_PyBaseString_CheckExact(obj) (PyString_CheckExact(obj) || PyUnicode_CheckExact(obj)) +#endif +#if CYTHON_COMPILING_IN_CPYTHON + #define __Pyx_PySequence_ListKeepNew(obj)\ + (likely(PyList_CheckExact(obj) && Py_REFCNT(obj) == 1) ? __Pyx_NewRef(obj) : PySequence_List(obj)) +#else + #define __Pyx_PySequence_ListKeepNew(obj) PySequence_List(obj) +#endif +#ifndef PySet_CheckExact + #define PySet_CheckExact(obj) __Pyx_IS_TYPE(obj, &PySet_Type) +#endif +#if PY_VERSION_HEX >= 0x030900A4 + #define __Pyx_SET_REFCNT(obj, refcnt) Py_SET_REFCNT(obj, refcnt) + #define __Pyx_SET_SIZE(obj, size) Py_SET_SIZE(obj, size) +#else + #define __Pyx_SET_REFCNT(obj, refcnt) Py_REFCNT(obj) = (refcnt) + #define __Pyx_SET_SIZE(obj, size) Py_SIZE(obj) = (size) +#endif +#if CYTHON_ASSUME_SAFE_MACROS + #define __Pyx_PySequence_ITEM(o, i) PySequence_ITEM(o, i) + #define __Pyx_PySequence_SIZE(seq) Py_SIZE(seq) + #define __Pyx_PyTuple_SET_ITEM(o, i, v) (PyTuple_SET_ITEM(o, i, v), (0)) + #define __Pyx_PyList_SET_ITEM(o, i, v) (PyList_SET_ITEM(o, i, v), (0)) + #define __Pyx_PyTuple_GET_SIZE(o) PyTuple_GET_SIZE(o) + #define __Pyx_PyList_GET_SIZE(o) PyList_GET_SIZE(o) + #define __Pyx_PySet_GET_SIZE(o) PySet_GET_SIZE(o) + #define __Pyx_PyBytes_GET_SIZE(o) PyBytes_GET_SIZE(o) + #define __Pyx_PyByteArray_GET_SIZE(o) PyByteArray_GET_SIZE(o) +#else + #define __Pyx_PySequence_ITEM(o, i) PySequence_GetItem(o, i) + #define __Pyx_PySequence_SIZE(seq) PySequence_Size(seq) + #define __Pyx_PyTuple_SET_ITEM(o, i, v) PyTuple_SetItem(o, i, v) + #define __Pyx_PyList_SET_ITEM(o, i, v) PyList_SetItem(o, i, v) + #define __Pyx_PyTuple_GET_SIZE(o) PyTuple_Size(o) + #define __Pyx_PyList_GET_SIZE(o) PyList_Size(o) + #define __Pyx_PySet_GET_SIZE(o) PySet_Size(o) + #define __Pyx_PyBytes_GET_SIZE(o) PyBytes_Size(o) + #define __Pyx_PyByteArray_GET_SIZE(o) PyByteArray_Size(o) +#endif +#if __PYX_LIMITED_VERSION_HEX >= 0x030d00A1 + #define __Pyx_PyImport_AddModuleRef(name) PyImport_AddModuleRef(name) +#else + static CYTHON_INLINE PyObject *__Pyx_PyImport_AddModuleRef(const char *name) { + PyObject *module = PyImport_AddModule(name); + Py_XINCREF(module); + return module; + } +#endif +#if PY_MAJOR_VERSION >= 3 + #define PyIntObject PyLongObject + #define PyInt_Type PyLong_Type + #define PyInt_Check(op) PyLong_Check(op) + #define PyInt_CheckExact(op) PyLong_CheckExact(op) + #define __Pyx_Py3Int_Check(op) PyLong_Check(op) + #define __Pyx_Py3Int_CheckExact(op) PyLong_CheckExact(op) + #define PyInt_FromString PyLong_FromString + #define PyInt_FromUnicode PyLong_FromUnicode + #define PyInt_FromLong PyLong_FromLong + #define PyInt_FromSize_t PyLong_FromSize_t + #define PyInt_FromSsize_t PyLong_FromSsize_t + #define PyInt_AsLong PyLong_AsLong + #define PyInt_AS_LONG PyLong_AS_LONG + #define PyInt_AsSsize_t PyLong_AsSsize_t + #define PyInt_AsUnsignedLongMask PyLong_AsUnsignedLongMask + #define PyInt_AsUnsignedLongLongMask PyLong_AsUnsignedLongLongMask + #define PyNumber_Int PyNumber_Long +#else + #define __Pyx_Py3Int_Check(op) (PyLong_Check(op) || PyInt_Check(op)) + #define __Pyx_Py3Int_CheckExact(op) (PyLong_CheckExact(op) || PyInt_CheckExact(op)) +#endif +#if PY_MAJOR_VERSION >= 3 + #define PyBoolObject PyLongObject +#endif +#if PY_MAJOR_VERSION >= 3 && CYTHON_COMPILING_IN_PYPY + #ifndef PyUnicode_InternFromString + #define PyUnicode_InternFromString(s) PyUnicode_FromString(s) + #endif +#endif +#if PY_VERSION_HEX < 0x030200A4 + typedef long Py_hash_t; + #define __Pyx_PyInt_FromHash_t PyInt_FromLong + #define __Pyx_PyInt_AsHash_t __Pyx_PyIndex_AsHash_t +#else + #define __Pyx_PyInt_FromHash_t PyInt_FromSsize_t + #define __Pyx_PyInt_AsHash_t __Pyx_PyIndex_AsSsize_t +#endif +#if CYTHON_USE_ASYNC_SLOTS + #if PY_VERSION_HEX >= 0x030500B1 + #define __Pyx_PyAsyncMethodsStruct PyAsyncMethods + #define __Pyx_PyType_AsAsync(obj) (Py_TYPE(obj)->tp_as_async) + #else + #define __Pyx_PyType_AsAsync(obj) ((__Pyx_PyAsyncMethodsStruct*) (Py_TYPE(obj)->tp_reserved)) + #endif +#else + #define __Pyx_PyType_AsAsync(obj) NULL +#endif +#ifndef __Pyx_PyAsyncMethodsStruct + typedef struct { + unaryfunc am_await; + unaryfunc am_aiter; + unaryfunc am_anext; + } __Pyx_PyAsyncMethodsStruct; +#endif + +#if defined(_WIN32) || defined(WIN32) || defined(MS_WINDOWS) + #if !defined(_USE_MATH_DEFINES) + #define _USE_MATH_DEFINES + #endif +#endif +#include +#ifdef NAN +#define __PYX_NAN() ((float) NAN) +#else +static CYTHON_INLINE float __PYX_NAN() { + float value; + memset(&value, 0xFF, sizeof(value)); + return value; +} +#endif +#if defined(__CYGWIN__) && defined(_LDBL_EQ_DBL) +#define __Pyx_truncl trunc +#else +#define __Pyx_truncl truncl +#endif + +#define __PYX_MARK_ERR_POS(f_index, lineno) \ + { __pyx_filename = __pyx_f[f_index]; (void)__pyx_filename; __pyx_lineno = lineno; (void)__pyx_lineno; __pyx_clineno = __LINE__; (void)__pyx_clineno; } +#define __PYX_ERR(f_index, lineno, Ln_error) \ + { __PYX_MARK_ERR_POS(f_index, lineno) goto Ln_error; } + +#ifdef CYTHON_EXTERN_C + #undef __PYX_EXTERN_C + #define __PYX_EXTERN_C CYTHON_EXTERN_C +#elif defined(__PYX_EXTERN_C) + #ifdef _MSC_VER + #pragma message ("Please do not define the '__PYX_EXTERN_C' macro externally. Use 'CYTHON_EXTERN_C' instead.") + #else + #warning Please do not define the '__PYX_EXTERN_C' macro externally. Use 'CYTHON_EXTERN_C' instead. + #endif +#else + #ifdef __cplusplus + #define __PYX_EXTERN_C extern "C" + #else + #define __PYX_EXTERN_C extern + #endif +#endif + +#define __PYX_HAVE__DockQ__operations +#define __PYX_HAVE_API__DockQ__operations +/* Early includes */ +#include +#include + + /* Using NumPy API declarations from "numpy/__init__.cython-30.pxd" */ + +#include "numpy/arrayobject.h" +#include "numpy/ndarrayobject.h" +#include "numpy/ndarraytypes.h" +#include "numpy/arrayscalars.h" +#include "numpy/ufuncobject.h" +#include "pythread.h" +#include +#ifdef _OPENMP +#include +#endif /* _OPENMP */ + +#if defined(PYREX_WITHOUT_ASSERTIONS) && !defined(CYTHON_WITHOUT_ASSERTIONS) +#define CYTHON_WITHOUT_ASSERTIONS +#endif + +typedef struct {PyObject **p; const char *s; const Py_ssize_t n; const char* encoding; + const char is_unicode; const char is_str; const char intern; } __Pyx_StringTabEntry; + +#define __PYX_DEFAULT_STRING_ENCODING_IS_ASCII 0 +#define __PYX_DEFAULT_STRING_ENCODING_IS_UTF8 0 +#define __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT (PY_MAJOR_VERSION >= 3 && __PYX_DEFAULT_STRING_ENCODING_IS_UTF8) +#define __PYX_DEFAULT_STRING_ENCODING "" +#define __Pyx_PyObject_FromString __Pyx_PyBytes_FromString +#define __Pyx_PyObject_FromStringAndSize __Pyx_PyBytes_FromStringAndSize +#define __Pyx_uchar_cast(c) ((unsigned char)c) +#define __Pyx_long_cast(x) ((long)x) +#define __Pyx_fits_Py_ssize_t(v, type, is_signed) (\ + (sizeof(type) < sizeof(Py_ssize_t)) ||\ + (sizeof(type) > sizeof(Py_ssize_t) &&\ + likely(v < (type)PY_SSIZE_T_MAX ||\ + v == (type)PY_SSIZE_T_MAX) &&\ + (!is_signed || likely(v > (type)PY_SSIZE_T_MIN ||\ + v == (type)PY_SSIZE_T_MIN))) ||\ + (sizeof(type) == sizeof(Py_ssize_t) &&\ + (is_signed || likely(v < (type)PY_SSIZE_T_MAX ||\ + v == (type)PY_SSIZE_T_MAX))) ) +static CYTHON_INLINE int __Pyx_is_valid_index(Py_ssize_t i, Py_ssize_t limit) { + return (size_t) i < (size_t) limit; +} +#if defined (__cplusplus) && __cplusplus >= 201103L + #include + #define __Pyx_sst_abs(value) std::abs(value) +#elif SIZEOF_INT >= SIZEOF_SIZE_T + #define __Pyx_sst_abs(value) abs(value) +#elif SIZEOF_LONG >= SIZEOF_SIZE_T + #define __Pyx_sst_abs(value) labs(value) +#elif defined (_MSC_VER) + #define __Pyx_sst_abs(value) ((Py_ssize_t)_abs64(value)) +#elif defined (__STDC_VERSION__) && __STDC_VERSION__ >= 199901L + #define __Pyx_sst_abs(value) llabs(value) +#elif defined (__GNUC__) + #define __Pyx_sst_abs(value) __builtin_llabs(value) +#else + #define __Pyx_sst_abs(value) ((value<0) ? -value : value) +#endif +static CYTHON_INLINE Py_ssize_t __Pyx_ssize_strlen(const char *s); +static CYTHON_INLINE const char* __Pyx_PyObject_AsString(PyObject*); +static CYTHON_INLINE const char* __Pyx_PyObject_AsStringAndSize(PyObject*, Py_ssize_t* length); +static CYTHON_INLINE PyObject* __Pyx_PyByteArray_FromString(const char*); +#define __Pyx_PyByteArray_FromStringAndSize(s, l) PyByteArray_FromStringAndSize((const char*)s, l) +#define __Pyx_PyBytes_FromString PyBytes_FromString +#define __Pyx_PyBytes_FromStringAndSize PyBytes_FromStringAndSize +static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(const char*); +#if PY_MAJOR_VERSION < 3 + #define __Pyx_PyStr_FromString __Pyx_PyBytes_FromString + #define __Pyx_PyStr_FromStringAndSize __Pyx_PyBytes_FromStringAndSize +#else + #define __Pyx_PyStr_FromString __Pyx_PyUnicode_FromString + #define __Pyx_PyStr_FromStringAndSize __Pyx_PyUnicode_FromStringAndSize +#endif +#define __Pyx_PyBytes_AsWritableString(s) ((char*) PyBytes_AS_STRING(s)) +#define __Pyx_PyBytes_AsWritableSString(s) ((signed char*) PyBytes_AS_STRING(s)) +#define __Pyx_PyBytes_AsWritableUString(s) ((unsigned char*) PyBytes_AS_STRING(s)) +#define __Pyx_PyBytes_AsString(s) ((const char*) PyBytes_AS_STRING(s)) +#define __Pyx_PyBytes_AsSString(s) ((const signed char*) PyBytes_AS_STRING(s)) +#define __Pyx_PyBytes_AsUString(s) ((const unsigned char*) PyBytes_AS_STRING(s)) +#define __Pyx_PyObject_AsWritableString(s) ((char*)(__pyx_uintptr_t) __Pyx_PyObject_AsString(s)) +#define __Pyx_PyObject_AsWritableSString(s) ((signed char*)(__pyx_uintptr_t) __Pyx_PyObject_AsString(s)) +#define __Pyx_PyObject_AsWritableUString(s) ((unsigned char*)(__pyx_uintptr_t) __Pyx_PyObject_AsString(s)) +#define __Pyx_PyObject_AsSString(s) ((const signed char*) __Pyx_PyObject_AsString(s)) +#define __Pyx_PyObject_AsUString(s) ((const unsigned char*) __Pyx_PyObject_AsString(s)) +#define __Pyx_PyObject_FromCString(s) __Pyx_PyObject_FromString((const char*)s) +#define __Pyx_PyBytes_FromCString(s) __Pyx_PyBytes_FromString((const char*)s) +#define __Pyx_PyByteArray_FromCString(s) __Pyx_PyByteArray_FromString((const char*)s) +#define __Pyx_PyStr_FromCString(s) __Pyx_PyStr_FromString((const char*)s) +#define __Pyx_PyUnicode_FromCString(s) __Pyx_PyUnicode_FromString((const char*)s) +#define __Pyx_PyUnicode_FromOrdinal(o) PyUnicode_FromOrdinal((int)o) +#define __Pyx_PyUnicode_AsUnicode PyUnicode_AsUnicode +#define __Pyx_NewRef(obj) (Py_INCREF(obj), obj) +#define __Pyx_Owned_Py_None(b) __Pyx_NewRef(Py_None) +static CYTHON_INLINE PyObject * __Pyx_PyBool_FromLong(long b); +static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject*); +static CYTHON_INLINE int __Pyx_PyObject_IsTrueAndDecref(PyObject*); +static CYTHON_INLINE PyObject* __Pyx_PyNumber_IntOrLong(PyObject* x); +#define __Pyx_PySequence_Tuple(obj)\ + (likely(PyTuple_CheckExact(obj)) ? __Pyx_NewRef(obj) : PySequence_Tuple(obj)) +static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject*); +static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t); +static CYTHON_INLINE Py_hash_t __Pyx_PyIndex_AsHash_t(PyObject*); +#if CYTHON_ASSUME_SAFE_MACROS +#define __pyx_PyFloat_AsDouble(x) (PyFloat_CheckExact(x) ? PyFloat_AS_DOUBLE(x) : PyFloat_AsDouble(x)) +#else +#define __pyx_PyFloat_AsDouble(x) PyFloat_AsDouble(x) +#endif +#define __pyx_PyFloat_AsFloat(x) ((float) __pyx_PyFloat_AsDouble(x)) +#if PY_MAJOR_VERSION >= 3 +#define __Pyx_PyNumber_Int(x) (PyLong_CheckExact(x) ? __Pyx_NewRef(x) : PyNumber_Long(x)) +#else +#define __Pyx_PyNumber_Int(x) (PyInt_CheckExact(x) ? __Pyx_NewRef(x) : PyNumber_Int(x)) +#endif +#if CYTHON_USE_PYLONG_INTERNALS + #if PY_VERSION_HEX >= 0x030C00A7 + #ifndef _PyLong_SIGN_MASK + #define _PyLong_SIGN_MASK 3 + #endif + #ifndef _PyLong_NON_SIZE_BITS + #define _PyLong_NON_SIZE_BITS 3 + #endif + #define __Pyx_PyLong_Sign(x) (((PyLongObject*)x)->long_value.lv_tag & _PyLong_SIGN_MASK) + #define __Pyx_PyLong_IsNeg(x) ((__Pyx_PyLong_Sign(x) & 2) != 0) + #define __Pyx_PyLong_IsNonNeg(x) (!__Pyx_PyLong_IsNeg(x)) + #define __Pyx_PyLong_IsZero(x) (__Pyx_PyLong_Sign(x) & 1) + #define __Pyx_PyLong_IsPos(x) (__Pyx_PyLong_Sign(x) == 0) + #define __Pyx_PyLong_CompactValueUnsigned(x) (__Pyx_PyLong_Digits(x)[0]) + #define __Pyx_PyLong_DigitCount(x) ((Py_ssize_t) (((PyLongObject*)x)->long_value.lv_tag >> _PyLong_NON_SIZE_BITS)) + #define __Pyx_PyLong_SignedDigitCount(x)\ + ((1 - (Py_ssize_t) __Pyx_PyLong_Sign(x)) * __Pyx_PyLong_DigitCount(x)) + #if defined(PyUnstable_Long_IsCompact) && defined(PyUnstable_Long_CompactValue) + #define __Pyx_PyLong_IsCompact(x) PyUnstable_Long_IsCompact((PyLongObject*) x) + #define __Pyx_PyLong_CompactValue(x) PyUnstable_Long_CompactValue((PyLongObject*) x) + #else + #define __Pyx_PyLong_IsCompact(x) (((PyLongObject*)x)->long_value.lv_tag < (2 << _PyLong_NON_SIZE_BITS)) + #define __Pyx_PyLong_CompactValue(x) ((1 - (Py_ssize_t) __Pyx_PyLong_Sign(x)) * (Py_ssize_t) __Pyx_PyLong_Digits(x)[0]) + #endif + typedef Py_ssize_t __Pyx_compact_pylong; + typedef size_t __Pyx_compact_upylong; + #else + #define __Pyx_PyLong_IsNeg(x) (Py_SIZE(x) < 0) + #define __Pyx_PyLong_IsNonNeg(x) (Py_SIZE(x) >= 0) + #define __Pyx_PyLong_IsZero(x) (Py_SIZE(x) == 0) + #define __Pyx_PyLong_IsPos(x) (Py_SIZE(x) > 0) + #define __Pyx_PyLong_CompactValueUnsigned(x) ((Py_SIZE(x) == 0) ? 0 : __Pyx_PyLong_Digits(x)[0]) + #define __Pyx_PyLong_DigitCount(x) __Pyx_sst_abs(Py_SIZE(x)) + #define __Pyx_PyLong_SignedDigitCount(x) Py_SIZE(x) + #define __Pyx_PyLong_IsCompact(x) (Py_SIZE(x) == 0 || Py_SIZE(x) == 1 || Py_SIZE(x) == -1) + #define __Pyx_PyLong_CompactValue(x)\ + ((Py_SIZE(x) == 0) ? (sdigit) 0 : ((Py_SIZE(x) < 0) ? -(sdigit)__Pyx_PyLong_Digits(x)[0] : (sdigit)__Pyx_PyLong_Digits(x)[0])) + typedef sdigit __Pyx_compact_pylong; + typedef digit __Pyx_compact_upylong; + #endif + #if PY_VERSION_HEX >= 0x030C00A5 + #define __Pyx_PyLong_Digits(x) (((PyLongObject*)x)->long_value.ob_digit) + #else + #define __Pyx_PyLong_Digits(x) (((PyLongObject*)x)->ob_digit) + #endif +#endif +#if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII +#include +static int __Pyx_sys_getdefaultencoding_not_ascii; +static int __Pyx_init_sys_getdefaultencoding_params(void) { + PyObject* sys; + PyObject* default_encoding = NULL; + PyObject* ascii_chars_u = NULL; + PyObject* ascii_chars_b = NULL; + const char* default_encoding_c; + sys = PyImport_ImportModule("sys"); + if (!sys) goto bad; + default_encoding = PyObject_CallMethod(sys, (char*) "getdefaultencoding", NULL); + Py_DECREF(sys); + if (!default_encoding) goto bad; + default_encoding_c = PyBytes_AsString(default_encoding); + if (!default_encoding_c) goto bad; + if (strcmp(default_encoding_c, "ascii") == 0) { + __Pyx_sys_getdefaultencoding_not_ascii = 0; + } else { + char ascii_chars[128]; + int c; + for (c = 0; c < 128; c++) { + ascii_chars[c] = (char) c; + } + __Pyx_sys_getdefaultencoding_not_ascii = 1; + ascii_chars_u = PyUnicode_DecodeASCII(ascii_chars, 128, NULL); + if (!ascii_chars_u) goto bad; + ascii_chars_b = PyUnicode_AsEncodedString(ascii_chars_u, default_encoding_c, NULL); + if (!ascii_chars_b || !PyBytes_Check(ascii_chars_b) || memcmp(ascii_chars, PyBytes_AS_STRING(ascii_chars_b), 128) != 0) { + PyErr_Format( + PyExc_ValueError, + "This module compiled with c_string_encoding=ascii, but default encoding '%.200s' is not a superset of ascii.", + default_encoding_c); + goto bad; + } + Py_DECREF(ascii_chars_u); + Py_DECREF(ascii_chars_b); + } + Py_DECREF(default_encoding); + return 0; +bad: + Py_XDECREF(default_encoding); + Py_XDECREF(ascii_chars_u); + Py_XDECREF(ascii_chars_b); + return -1; +} +#endif +#if __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT && PY_MAJOR_VERSION >= 3 +#define __Pyx_PyUnicode_FromStringAndSize(c_str, size) PyUnicode_DecodeUTF8(c_str, size, NULL) +#else +#define __Pyx_PyUnicode_FromStringAndSize(c_str, size) PyUnicode_Decode(c_str, size, __PYX_DEFAULT_STRING_ENCODING, NULL) +#if __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT +#include +static char* __PYX_DEFAULT_STRING_ENCODING; +static int __Pyx_init_sys_getdefaultencoding_params(void) { + PyObject* sys; + PyObject* default_encoding = NULL; + char* default_encoding_c; + sys = PyImport_ImportModule("sys"); + if (!sys) goto bad; + default_encoding = PyObject_CallMethod(sys, (char*) (const char*) "getdefaultencoding", NULL); + Py_DECREF(sys); + if (!default_encoding) goto bad; + default_encoding_c = PyBytes_AsString(default_encoding); + if (!default_encoding_c) goto bad; + __PYX_DEFAULT_STRING_ENCODING = (char*) malloc(strlen(default_encoding_c) + 1); + if (!__PYX_DEFAULT_STRING_ENCODING) goto bad; + strcpy(__PYX_DEFAULT_STRING_ENCODING, default_encoding_c); + Py_DECREF(default_encoding); + return 0; +bad: + Py_XDECREF(default_encoding); + return -1; +} +#endif +#endif + + +/* Test for GCC > 2.95 */ +#if defined(__GNUC__) && (__GNUC__ > 2 || (__GNUC__ == 2 && (__GNUC_MINOR__ > 95))) + #define likely(x) __builtin_expect(!!(x), 1) + #define unlikely(x) __builtin_expect(!!(x), 0) +#else /* !__GNUC__ or GCC < 2.95 */ + #define likely(x) (x) + #define unlikely(x) (x) +#endif /* __GNUC__ */ +static CYTHON_INLINE void __Pyx_pretend_to_initialize(void* ptr) { (void)ptr; } + +#if !CYTHON_USE_MODULE_STATE +static PyObject *__pyx_m = NULL; +#endif +static int __pyx_lineno; +static int __pyx_clineno = 0; +static const char * __pyx_cfilenm = __FILE__; +static const char *__pyx_filename; + +/* Header.proto */ +#if !defined(CYTHON_CCOMPLEX) + #if defined(__cplusplus) + #define CYTHON_CCOMPLEX 1 + #elif (defined(_Complex_I) && !defined(_MSC_VER)) || ((defined (__STDC_VERSION__) && __STDC_VERSION__ >= 201112L) && !defined(__STDC_NO_COMPLEX__) && !defined(_MSC_VER)) + #define CYTHON_CCOMPLEX 1 + #else + #define CYTHON_CCOMPLEX 0 + #endif +#endif +#if CYTHON_CCOMPLEX + #ifdef __cplusplus + #include + #else + #include + #endif +#endif +#if CYTHON_CCOMPLEX && !defined(__cplusplus) && defined(__sun__) && defined(__GNUC__) + #undef _Complex_I + #define _Complex_I 1.0fj +#endif + +/* #### Code section: filename_table ### */ + +static const char *__pyx_f[] = { + "src\\\\DockQ\\\\operations.pyx", + "", + "__init__.cython-30.pxd", + "type.pxd", +}; +/* #### Code section: utility_code_proto_before_types ### */ +/* ForceInitThreads.proto */ +#ifndef __PYX_FORCE_INIT_THREADS + #define __PYX_FORCE_INIT_THREADS 0 +#endif + +/* NoFastGil.proto */ +#define __Pyx_PyGILState_Ensure PyGILState_Ensure +#define __Pyx_PyGILState_Release PyGILState_Release +#define __Pyx_FastGIL_Remember() +#define __Pyx_FastGIL_Forget() +#define __Pyx_FastGilFuncInit() + +/* BufferFormatStructs.proto */ +struct __Pyx_StructField_; +#define __PYX_BUF_FLAGS_PACKED_STRUCT (1 << 0) +typedef struct { + const char* name; + struct __Pyx_StructField_* fields; + size_t size; + size_t arraysize[8]; + int ndim; + char typegroup; + char is_unsigned; + int flags; +} __Pyx_TypeInfo; +typedef struct __Pyx_StructField_ { + __Pyx_TypeInfo* type; + const char* name; + size_t offset; +} __Pyx_StructField; +typedef struct { + __Pyx_StructField* field; + size_t parent_offset; +} __Pyx_BufFmt_StackElem; +typedef struct { + __Pyx_StructField root; + __Pyx_BufFmt_StackElem* head; + size_t fmt_offset; + size_t new_count, enc_count; + size_t struct_alignment; + int is_complex; + char enc_type; + char new_packmode; + char enc_packmode; + char is_valid_array; +} __Pyx_BufFmt_Context; + +/* Atomics.proto */ +#include +#ifndef CYTHON_ATOMICS + #define CYTHON_ATOMICS 1 +#endif +#define __PYX_CYTHON_ATOMICS_ENABLED() CYTHON_ATOMICS +#define __pyx_atomic_int_type int +#define __pyx_nonatomic_int_type int +#if CYTHON_ATOMICS && (defined(__STDC_VERSION__) &&\ + (__STDC_VERSION__ >= 201112L) &&\ + !defined(__STDC_NO_ATOMICS__)) + #include +#elif CYTHON_ATOMICS && (defined(__cplusplus) && (\ + (__cplusplus >= 201103L) ||\ + (defined(_MSC_VER) && _MSC_VER >= 1700))) + #include +#endif +#if CYTHON_ATOMICS && (defined(__STDC_VERSION__) &&\ + (__STDC_VERSION__ >= 201112L) &&\ + !defined(__STDC_NO_ATOMICS__) &&\ + ATOMIC_INT_LOCK_FREE == 2) + #undef __pyx_atomic_int_type + #define __pyx_atomic_int_type atomic_int + #define __pyx_atomic_incr_aligned(value) atomic_fetch_add_explicit(value, 1, memory_order_relaxed) + #define __pyx_atomic_decr_aligned(value) atomic_fetch_sub_explicit(value, 1, memory_order_acq_rel) + #if defined(__PYX_DEBUG_ATOMICS) && defined(_MSC_VER) + #pragma message ("Using standard C atomics") + #elif defined(__PYX_DEBUG_ATOMICS) + #warning "Using standard C atomics" + #endif +#elif CYTHON_ATOMICS && (defined(__cplusplus) && (\ + (__cplusplus >= 201103L) ||\ +\ + (defined(_MSC_VER) && _MSC_VER >= 1700)) &&\ + ATOMIC_INT_LOCK_FREE == 2) + #undef __pyx_atomic_int_type + #define __pyx_atomic_int_type std::atomic_int + #define __pyx_atomic_incr_aligned(value) std::atomic_fetch_add_explicit(value, 1, std::memory_order_relaxed) + #define __pyx_atomic_decr_aligned(value) std::atomic_fetch_sub_explicit(value, 1, std::memory_order_acq_rel) + #if defined(__PYX_DEBUG_ATOMICS) && defined(_MSC_VER) + #pragma message ("Using standard C++ atomics") + #elif defined(__PYX_DEBUG_ATOMICS) + #warning "Using standard C++ atomics" + #endif +#elif CYTHON_ATOMICS && (__GNUC__ >= 5 || (__GNUC__ == 4 &&\ + (__GNUC_MINOR__ > 1 ||\ + (__GNUC_MINOR__ == 1 && __GNUC_PATCHLEVEL__ >= 2)))) + #define __pyx_atomic_incr_aligned(value) __sync_fetch_and_add(value, 1) + #define __pyx_atomic_decr_aligned(value) __sync_fetch_and_sub(value, 1) + #ifdef __PYX_DEBUG_ATOMICS + #warning "Using GNU atomics" + #endif +#elif CYTHON_ATOMICS && defined(_MSC_VER) + #include + #undef __pyx_atomic_int_type + #define __pyx_atomic_int_type long + #undef __pyx_nonatomic_int_type + #define __pyx_nonatomic_int_type long + #pragma intrinsic (_InterlockedExchangeAdd) + #define __pyx_atomic_incr_aligned(value) _InterlockedExchangeAdd(value, 1) + #define __pyx_atomic_decr_aligned(value) _InterlockedExchangeAdd(value, -1) + #ifdef __PYX_DEBUG_ATOMICS + #pragma message ("Using MSVC atomics") + #endif +#else + #undef CYTHON_ATOMICS + #define CYTHON_ATOMICS 0 + #ifdef __PYX_DEBUG_ATOMICS + #warning "Not using atomics" + #endif +#endif +#if CYTHON_ATOMICS + #define __pyx_add_acquisition_count(memview)\ + __pyx_atomic_incr_aligned(__pyx_get_slice_count_pointer(memview)) + #define __pyx_sub_acquisition_count(memview)\ + __pyx_atomic_decr_aligned(__pyx_get_slice_count_pointer(memview)) +#else + #define __pyx_add_acquisition_count(memview)\ + __pyx_add_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) + #define __pyx_sub_acquisition_count(memview)\ + __pyx_sub_acquisition_count_locked(__pyx_get_slice_count_pointer(memview), memview->lock) +#endif + +/* MemviewSliceStruct.proto */ +struct __pyx_memoryview_obj; +typedef struct { + struct __pyx_memoryview_obj *memview; + char *data; + Py_ssize_t shape[8]; + Py_ssize_t strides[8]; + Py_ssize_t suboffsets[8]; +} __Pyx_memviewslice; +#define __Pyx_MemoryView_Len(m) (m.shape[0]) + +/* #### Code section: numeric_typedefs ### */ + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":730 + * # in Cython to enable them only on the right systems. + * + * ctypedef npy_int8 int8_t # <<<<<<<<<<<<<< + * ctypedef npy_int16 int16_t + * ctypedef npy_int32 int32_t + */ +typedef npy_int8 __pyx_t_5numpy_int8_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":731 + * + * ctypedef npy_int8 int8_t + * ctypedef npy_int16 int16_t # <<<<<<<<<<<<<< + * ctypedef npy_int32 int32_t + * ctypedef npy_int64 int64_t + */ +typedef npy_int16 __pyx_t_5numpy_int16_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":732 + * ctypedef npy_int8 int8_t + * ctypedef npy_int16 int16_t + * ctypedef npy_int32 int32_t # <<<<<<<<<<<<<< + * ctypedef npy_int64 int64_t + * #ctypedef npy_int96 int96_t + */ +typedef npy_int32 __pyx_t_5numpy_int32_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":733 + * ctypedef npy_int16 int16_t + * ctypedef npy_int32 int32_t + * ctypedef npy_int64 int64_t # <<<<<<<<<<<<<< + * #ctypedef npy_int96 int96_t + * #ctypedef npy_int128 int128_t + */ +typedef npy_int64 __pyx_t_5numpy_int64_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":737 + * #ctypedef npy_int128 int128_t + * + * ctypedef npy_uint8 uint8_t # <<<<<<<<<<<<<< + * ctypedef npy_uint16 uint16_t + * ctypedef npy_uint32 uint32_t + */ +typedef npy_uint8 __pyx_t_5numpy_uint8_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":738 + * + * ctypedef npy_uint8 uint8_t + * ctypedef npy_uint16 uint16_t # <<<<<<<<<<<<<< + * ctypedef npy_uint32 uint32_t + * ctypedef npy_uint64 uint64_t + */ +typedef npy_uint16 __pyx_t_5numpy_uint16_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":739 + * ctypedef npy_uint8 uint8_t + * ctypedef npy_uint16 uint16_t + * ctypedef npy_uint32 uint32_t # <<<<<<<<<<<<<< + * ctypedef npy_uint64 uint64_t + * #ctypedef npy_uint96 uint96_t + */ +typedef npy_uint32 __pyx_t_5numpy_uint32_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":740 + * ctypedef npy_uint16 uint16_t + * ctypedef npy_uint32 uint32_t + * ctypedef npy_uint64 uint64_t # <<<<<<<<<<<<<< + * #ctypedef npy_uint96 uint96_t + * #ctypedef npy_uint128 uint128_t + */ +typedef npy_uint64 __pyx_t_5numpy_uint64_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":744 + * #ctypedef npy_uint128 uint128_t + * + * ctypedef npy_float32 float32_t # <<<<<<<<<<<<<< + * ctypedef npy_float64 float64_t + * #ctypedef npy_float80 float80_t + */ +typedef npy_float32 __pyx_t_5numpy_float32_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":745 + * + * ctypedef npy_float32 float32_t + * ctypedef npy_float64 float64_t # <<<<<<<<<<<<<< + * #ctypedef npy_float80 float80_t + * #ctypedef npy_float128 float128_t + */ +typedef npy_float64 __pyx_t_5numpy_float64_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":754 + * # The int types are mapped a bit surprising -- + * # numpy.int corresponds to 'l' and numpy.long to 'q' + * ctypedef npy_long int_t # <<<<<<<<<<<<<< + * ctypedef npy_longlong longlong_t + * + */ +typedef npy_long __pyx_t_5numpy_int_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":755 + * # numpy.int corresponds to 'l' and numpy.long to 'q' + * ctypedef npy_long int_t + * ctypedef npy_longlong longlong_t # <<<<<<<<<<<<<< + * + * ctypedef npy_ulong uint_t + */ +typedef npy_longlong __pyx_t_5numpy_longlong_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":757 + * ctypedef npy_longlong longlong_t + * + * ctypedef npy_ulong uint_t # <<<<<<<<<<<<<< + * ctypedef npy_ulonglong ulonglong_t + * + */ +typedef npy_ulong __pyx_t_5numpy_uint_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":758 + * + * ctypedef npy_ulong uint_t + * ctypedef npy_ulonglong ulonglong_t # <<<<<<<<<<<<<< + * + * ctypedef npy_intp intp_t + */ +typedef npy_ulonglong __pyx_t_5numpy_ulonglong_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":760 + * ctypedef npy_ulonglong ulonglong_t + * + * ctypedef npy_intp intp_t # <<<<<<<<<<<<<< + * ctypedef npy_uintp uintp_t + * + */ +typedef npy_intp __pyx_t_5numpy_intp_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":761 + * + * ctypedef npy_intp intp_t + * ctypedef npy_uintp uintp_t # <<<<<<<<<<<<<< + * + * ctypedef npy_double float_t + */ +typedef npy_uintp __pyx_t_5numpy_uintp_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":763 + * ctypedef npy_uintp uintp_t + * + * ctypedef npy_double float_t # <<<<<<<<<<<<<< + * ctypedef npy_double double_t + * ctypedef npy_longdouble longdouble_t + */ +typedef npy_double __pyx_t_5numpy_float_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":764 + * + * ctypedef npy_double float_t + * ctypedef npy_double double_t # <<<<<<<<<<<<<< + * ctypedef npy_longdouble longdouble_t + * + */ +typedef npy_double __pyx_t_5numpy_double_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":765 + * ctypedef npy_double float_t + * ctypedef npy_double double_t + * ctypedef npy_longdouble longdouble_t # <<<<<<<<<<<<<< + * + * ctypedef npy_cfloat cfloat_t + */ +typedef npy_longdouble __pyx_t_5numpy_longdouble_t; +/* #### Code section: complex_type_declarations ### */ +/* Declarations.proto */ +#if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) + #ifdef __cplusplus + typedef ::std::complex< float > __pyx_t_float_complex; + #else + typedef float _Complex __pyx_t_float_complex; + #endif +#else + typedef struct { float real, imag; } __pyx_t_float_complex; +#endif +static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float, float); + +/* Declarations.proto */ +#if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) + #ifdef __cplusplus + typedef ::std::complex< double > __pyx_t_double_complex; + #else + typedef double _Complex __pyx_t_double_complex; + #endif +#else + typedef struct { double real, imag; } __pyx_t_double_complex; +#endif +static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double, double); + +/* #### Code section: type_declarations ### */ + +/*--- Type declarations ---*/ +struct __pyx_array_obj; +struct __pyx_MemviewEnum_obj; +struct __pyx_memoryview_obj; +struct __pyx_memoryviewslice_obj; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":767 + * ctypedef npy_longdouble longdouble_t + * + * ctypedef npy_cfloat cfloat_t # <<<<<<<<<<<<<< + * ctypedef npy_cdouble cdouble_t + * ctypedef npy_clongdouble clongdouble_t + */ +typedef npy_cfloat __pyx_t_5numpy_cfloat_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":768 + * + * ctypedef npy_cfloat cfloat_t + * ctypedef npy_cdouble cdouble_t # <<<<<<<<<<<<<< + * ctypedef npy_clongdouble clongdouble_t + * + */ +typedef npy_cdouble __pyx_t_5numpy_cdouble_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":769 + * ctypedef npy_cfloat cfloat_t + * ctypedef npy_cdouble cdouble_t + * ctypedef npy_clongdouble clongdouble_t # <<<<<<<<<<<<<< + * + * ctypedef npy_cdouble complex_t + */ +typedef npy_clongdouble __pyx_t_5numpy_clongdouble_t; + +/* "../../pip-build-env-3o1dtrss/overlay/Lib/site-packages/numpy/__init__.cython-30.pxd":771 + * ctypedef npy_clongdouble clongdouble_t + * + * ctypedef npy_cdouble complex_t # <<<<<<<<<<<<<< + * + * cdef inline object PyArray_MultiIterNew1(a): + */ +typedef npy_cdouble __pyx_t_5numpy_complex_t; + +/* "View.MemoryView":114 + * @cython.collection_type("sequence") + * @cname("__pyx_array") + * cdef class array: # <<<<<<<<<<<<<< + * + * cdef: + */ +struct __pyx_array_obj { + PyObject_HEAD + struct __pyx_vtabstruct_array *__pyx_vtab; + char *data; + Py_ssize_t len; + char *format; + int ndim; + Py_ssize_t *_shape; + Py_ssize_t *_strides; + Py_ssize_t itemsize; + PyObject *mode; + PyObject *_format; + void (*callback_free_data)(void *); + int free_data; + int dtype_is_object; +}; + + +/* "View.MemoryView":302 + * + * @cname('__pyx_MemviewEnum') + * cdef class Enum(object): # <<<<<<<<<<<<<< + * cdef object name + * def __init__(self, name): + */ +struct __pyx_MemviewEnum_obj { + PyObject_HEAD + PyObject *name; +}; + + +/* "View.MemoryView":337 + * + * @cname('__pyx_memoryview') + * cdef class memoryview: # <<<<<<<<<<<<<< + * + * cdef object obj + */ +struct __pyx_memoryview_obj { + PyObject_HEAD + struct __pyx_vtabstruct_memoryview *__pyx_vtab; + PyObject *obj; + PyObject *_size; + PyObject *_array_interface; + PyThread_type_lock lock; + __pyx_atomic_int_type acquisition_count; + Py_buffer view; + int flags; + int dtype_is_object; + __Pyx_TypeInfo *typeinfo; +}; + + +/* "View.MemoryView":952 + * @cython.collection_type("sequence") + * @cname('__pyx_memoryviewslice') + * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< + * "Internal class for passing memoryview slices to Python" + * + */ +struct __pyx_memoryviewslice_obj { + struct __pyx_memoryview_obj __pyx_base; + __Pyx_memviewslice from_slice; + PyObject *from_object; + PyObject *(*to_object_func)(char *); + int (*to_dtype_func)(char *, PyObject *); +}; + + + +/* "View.MemoryView":114 + * @cython.collection_type("sequence") + * @cname("__pyx_array") + * cdef class array: # <<<<<<<<<<<<<< + * + * cdef: + */ + +struct __pyx_vtabstruct_array { + PyObject *(*get_memview)(struct __pyx_array_obj *); +}; +static struct __pyx_vtabstruct_array *__pyx_vtabptr_array; + + +/* "View.MemoryView":337 + * + * @cname('__pyx_memoryview') + * cdef class memoryview: # <<<<<<<<<<<<<< + * + * cdef object obj + */ + +struct __pyx_vtabstruct_memoryview { + char *(*get_item_pointer)(struct __pyx_memoryview_obj *, PyObject *); + PyObject *(*is_slice)(struct __pyx_memoryview_obj *, PyObject *); + PyObject *(*setitem_slice_assignment)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); + PyObject *(*setitem_slice_assign_scalar)(struct __pyx_memoryview_obj *, struct __pyx_memoryview_obj *, PyObject *); + PyObject *(*setitem_indexed)(struct __pyx_memoryview_obj *, PyObject *, PyObject *); + PyObject *(*convert_item_to_object)(struct __pyx_memoryview_obj *, char *); + PyObject *(*assign_item_from_object)(struct __pyx_memoryview_obj *, char *, PyObject *); + PyObject *(*_get_base)(struct __pyx_memoryview_obj *); +}; +static struct __pyx_vtabstruct_memoryview *__pyx_vtabptr_memoryview; + + +/* "View.MemoryView":952 + * @cython.collection_type("sequence") + * @cname('__pyx_memoryviewslice') + * cdef class _memoryviewslice(memoryview): # <<<<<<<<<<<<<< + * "Internal class for passing memoryview slices to Python" + * + */ + +struct __pyx_vtabstruct__memoryviewslice { + struct __pyx_vtabstruct_memoryview __pyx_base; 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else {__Pyx_INCREF(r); }} while(0) + #define __Pyx_XDECREF(r) do { if((r) == NULL); else {__Pyx_DECREF(r); }} while(0) + #define __Pyx_XGOTREF(r) do { if((r) == NULL); else {__Pyx_GOTREF(r); }} while(0) + #define __Pyx_XGIVEREF(r) do { if((r) == NULL); else {__Pyx_GIVEREF(r);}} while(0) +#else + #define __Pyx_RefNannyDeclarations + #define __Pyx_RefNannySetupContext(name, acquire_gil) + #define __Pyx_RefNannyFinishContextNogil() + #define __Pyx_RefNannyFinishContext() + #define __Pyx_INCREF(r) Py_INCREF(r) + #define __Pyx_DECREF(r) Py_DECREF(r) + #define __Pyx_GOTREF(r) + #define __Pyx_GIVEREF(r) + #define __Pyx_XINCREF(r) Py_XINCREF(r) + #define __Pyx_XDECREF(r) Py_XDECREF(r) + #define __Pyx_XGOTREF(r) + #define __Pyx_XGIVEREF(r) +#endif +#define __Pyx_Py_XDECREF_SET(r, v) do {\ + PyObject *tmp = (PyObject *) r;\ + r = v; Py_XDECREF(tmp);\ + } while (0) +#define __Pyx_XDECREF_SET(r, v) do {\ + PyObject *tmp = (PyObject *) r;\ + r = v; __Pyx_XDECREF(tmp);\ + } while (0) +#define __Pyx_DECREF_SET(r, v) do {\ + PyObject *tmp = (PyObject *) r;\ + r = v; __Pyx_DECREF(tmp);\ + } while (0) +#define __Pyx_CLEAR(r) do { PyObject* tmp = ((PyObject*)(r)); r = NULL; __Pyx_DECREF(tmp);} while(0) +#define __Pyx_XCLEAR(r) do { if((r) != NULL) {PyObject* tmp = ((PyObject*)(r)); r = NULL; __Pyx_DECREF(tmp);}} while(0) + +/* PyErrExceptionMatches.proto */ +#if CYTHON_FAST_THREAD_STATE +#define __Pyx_PyErr_ExceptionMatches(err) __Pyx_PyErr_ExceptionMatchesInState(__pyx_tstate, err) +static CYTHON_INLINE int __Pyx_PyErr_ExceptionMatchesInState(PyThreadState* tstate, PyObject* err); +#else +#define __Pyx_PyErr_ExceptionMatches(err) PyErr_ExceptionMatches(err) +#endif + +/* PyThreadStateGet.proto */ +#if CYTHON_FAST_THREAD_STATE +#define __Pyx_PyThreadState_declare PyThreadState *__pyx_tstate; +#define __Pyx_PyThreadState_assign __pyx_tstate = __Pyx_PyThreadState_Current; +#if PY_VERSION_HEX >= 0x030C00A6 +#define __Pyx_PyErr_Occurred() (__pyx_tstate->current_exception != NULL) +#define __Pyx_PyErr_CurrentExceptionType() (__pyx_tstate->current_exception ? (PyObject*) Py_TYPE(__pyx_tstate->current_exception) : (PyObject*) NULL) +#else +#define __Pyx_PyErr_Occurred() (__pyx_tstate->curexc_type != NULL) +#define __Pyx_PyErr_CurrentExceptionType() (__pyx_tstate->curexc_type) +#endif +#else +#define __Pyx_PyThreadState_declare +#define __Pyx_PyThreadState_assign +#define __Pyx_PyErr_Occurred() (PyErr_Occurred() != NULL) +#define __Pyx_PyErr_CurrentExceptionType() PyErr_Occurred() +#endif + +/* PyErrFetchRestore.proto */ +#if CYTHON_FAST_THREAD_STATE +#define __Pyx_PyErr_Clear() __Pyx_ErrRestore(NULL, NULL, NULL) +#define __Pyx_ErrRestoreWithState(type, value, tb) __Pyx_ErrRestoreInState(PyThreadState_GET(), type, value, tb) +#define __Pyx_ErrFetchWithState(type, value, tb) __Pyx_ErrFetchInState(PyThreadState_GET(), type, value, tb) +#define __Pyx_ErrRestore(type, value, tb) __Pyx_ErrRestoreInState(__pyx_tstate, type, value, tb) +#define __Pyx_ErrFetch(type, value, tb) __Pyx_ErrFetchInState(__pyx_tstate, type, value, tb) +static CYTHON_INLINE void __Pyx_ErrRestoreInState(PyThreadState *tstate, PyObject *type, PyObject *value, PyObject *tb); +static CYTHON_INLINE void __Pyx_ErrFetchInState(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb); +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX < 0x030C00A6 +#define __Pyx_PyErr_SetNone(exc) (Py_INCREF(exc), __Pyx_ErrRestore((exc), NULL, NULL)) +#else +#define __Pyx_PyErr_SetNone(exc) PyErr_SetNone(exc) +#endif +#else +#define __Pyx_PyErr_Clear() PyErr_Clear() +#define __Pyx_PyErr_SetNone(exc) PyErr_SetNone(exc) +#define __Pyx_ErrRestoreWithState(type, value, tb) PyErr_Restore(type, value, tb) +#define __Pyx_ErrFetchWithState(type, value, tb) PyErr_Fetch(type, value, tb) +#define __Pyx_ErrRestoreInState(tstate, type, value, tb) PyErr_Restore(type, value, tb) +#define __Pyx_ErrFetchInState(tstate, type, value, tb) PyErr_Fetch(type, value, tb) +#define __Pyx_ErrRestore(type, value, tb) PyErr_Restore(type, value, tb) +#define __Pyx_ErrFetch(type, value, tb) PyErr_Fetch(type, value, tb) +#endif + +/* PyObjectGetAttrStr.proto */ +#if CYTHON_USE_TYPE_SLOTS +static CYTHON_INLINE PyObject* __Pyx_PyObject_GetAttrStr(PyObject* obj, PyObject* attr_name); +#else +#define __Pyx_PyObject_GetAttrStr(o,n) PyObject_GetAttr(o,n) +#endif + +/* PyObjectGetAttrStrNoError.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyObject_GetAttrStrNoError(PyObject* obj, PyObject* attr_name); + +/* GetBuiltinName.proto */ +static PyObject *__Pyx_GetBuiltinName(PyObject *name); + +/* TupleAndListFromArray.proto */ +#if CYTHON_COMPILING_IN_CPYTHON +static CYTHON_INLINE PyObject* __Pyx_PyList_FromArray(PyObject *const *src, Py_ssize_t n); +static CYTHON_INLINE PyObject* __Pyx_PyTuple_FromArray(PyObject *const *src, Py_ssize_t n); +#endif + +/* IncludeStringH.proto */ +#include + +/* BytesEquals.proto */ +static CYTHON_INLINE int __Pyx_PyBytes_Equals(PyObject* s1, PyObject* s2, int equals); + +/* UnicodeEquals.proto */ +static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals); + +/* fastcall.proto */ +#if CYTHON_AVOID_BORROWED_REFS + #define __Pyx_Arg_VARARGS(args, i) PySequence_GetItem(args, i) +#elif CYTHON_ASSUME_SAFE_MACROS + #define __Pyx_Arg_VARARGS(args, i) PyTuple_GET_ITEM(args, i) +#else + #define __Pyx_Arg_VARARGS(args, i) PyTuple_GetItem(args, i) +#endif +#if CYTHON_AVOID_BORROWED_REFS + #define __Pyx_Arg_NewRef_VARARGS(arg) __Pyx_NewRef(arg) + #define __Pyx_Arg_XDECREF_VARARGS(arg) Py_XDECREF(arg) +#else + #define __Pyx_Arg_NewRef_VARARGS(arg) arg + #define __Pyx_Arg_XDECREF_VARARGS(arg) +#endif +#define __Pyx_NumKwargs_VARARGS(kwds) PyDict_Size(kwds) +#define __Pyx_KwValues_VARARGS(args, nargs) NULL +#define __Pyx_GetKwValue_VARARGS(kw, kwvalues, s) __Pyx_PyDict_GetItemStrWithError(kw, s) +#define __Pyx_KwargsAsDict_VARARGS(kw, kwvalues) PyDict_Copy(kw) +#if CYTHON_METH_FASTCALL + #define __Pyx_Arg_FASTCALL(args, i) args[i] + #define __Pyx_NumKwargs_FASTCALL(kwds) PyTuple_GET_SIZE(kwds) + #define __Pyx_KwValues_FASTCALL(args, nargs) ((args) + (nargs)) + static CYTHON_INLINE PyObject * __Pyx_GetKwValue_FASTCALL(PyObject *kwnames, PyObject *const *kwvalues, PyObject *s); +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030d0000 + CYTHON_UNUSED static PyObject *__Pyx_KwargsAsDict_FASTCALL(PyObject *kwnames, PyObject *const *kwvalues); + #else + #define __Pyx_KwargsAsDict_FASTCALL(kw, kwvalues) _PyStack_AsDict(kwvalues, kw) + #endif + #define __Pyx_Arg_NewRef_FASTCALL(arg) arg /* no-op, __Pyx_Arg_FASTCALL is direct and this needs + to have the same reference counting */ + #define __Pyx_Arg_XDECREF_FASTCALL(arg) +#else + #define __Pyx_Arg_FASTCALL __Pyx_Arg_VARARGS + #define __Pyx_NumKwargs_FASTCALL __Pyx_NumKwargs_VARARGS + #define __Pyx_KwValues_FASTCALL __Pyx_KwValues_VARARGS + #define __Pyx_GetKwValue_FASTCALL __Pyx_GetKwValue_VARARGS + #define __Pyx_KwargsAsDict_FASTCALL __Pyx_KwargsAsDict_VARARGS + #define __Pyx_Arg_NewRef_FASTCALL(arg) __Pyx_Arg_NewRef_VARARGS(arg) + #define __Pyx_Arg_XDECREF_FASTCALL(arg) __Pyx_Arg_XDECREF_VARARGS(arg) +#endif +#if CYTHON_COMPILING_IN_CPYTHON && CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS +#define __Pyx_ArgsSlice_VARARGS(args, start, stop) __Pyx_PyTuple_FromArray(&__Pyx_Arg_VARARGS(args, start), stop - start) +#define __Pyx_ArgsSlice_FASTCALL(args, start, stop) __Pyx_PyTuple_FromArray(&__Pyx_Arg_FASTCALL(args, start), stop - start) +#else +#define __Pyx_ArgsSlice_VARARGS(args, start, stop) PyTuple_GetSlice(args, start, stop) +#define __Pyx_ArgsSlice_FASTCALL(args, start, stop) PyTuple_GetSlice(args, start, stop) +#endif + +/* RaiseArgTupleInvalid.proto */ +static void __Pyx_RaiseArgtupleInvalid(const char* func_name, int exact, + Py_ssize_t num_min, Py_ssize_t num_max, Py_ssize_t num_found); + +/* RaiseDoubleKeywords.proto */ +static void __Pyx_RaiseDoubleKeywordsError(const char* func_name, PyObject* kw_name); + +/* ParseKeywords.proto */ +static int __Pyx_ParseOptionalKeywords(PyObject *kwds, PyObject *const *kwvalues, + PyObject **argnames[], + PyObject *kwds2, PyObject *values[], Py_ssize_t num_pos_args, + const char* function_name); + +/* ArgTypeTest.proto */ +#define __Pyx_ArgTypeTest(obj, type, none_allowed, name, exact)\ + ((likely(__Pyx_IS_TYPE(obj, type) | (none_allowed && (obj == Py_None)))) ? 1 :\ + __Pyx__ArgTypeTest(obj, type, name, exact)) +static int __Pyx__ArgTypeTest(PyObject *obj, PyTypeObject *type, const char *name, int exact); + +/* RaiseException.proto */ +static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause); + +/* PyFunctionFastCall.proto */ +#if CYTHON_FAST_PYCALL +#if !CYTHON_VECTORCALL +#define __Pyx_PyFunction_FastCall(func, args, nargs)\ + __Pyx_PyFunction_FastCallDict((func), (args), (nargs), NULL) +static PyObject *__Pyx_PyFunction_FastCallDict(PyObject *func, PyObject **args, Py_ssize_t nargs, PyObject *kwargs); +#endif +#define __Pyx_BUILD_ASSERT_EXPR(cond)\ + (sizeof(char [1 - 2*!(cond)]) - 1) +#ifndef Py_MEMBER_SIZE +#define Py_MEMBER_SIZE(type, member) sizeof(((type *)0)->member) +#endif +#if !CYTHON_VECTORCALL +#if PY_VERSION_HEX >= 0x03080000 + #include "frameobject.h" +#if PY_VERSION_HEX >= 0x030b00a6 && !CYTHON_COMPILING_IN_LIMITED_API + #ifndef Py_BUILD_CORE + #define Py_BUILD_CORE 1 + #endif + #include "internal/pycore_frame.h" +#endif + #define __Pxy_PyFrame_Initialize_Offsets() + #define __Pyx_PyFrame_GetLocalsplus(frame) ((frame)->f_localsplus) +#else + static size_t __pyx_pyframe_localsplus_offset = 0; + #include "frameobject.h" + #define __Pxy_PyFrame_Initialize_Offsets()\ + ((void)__Pyx_BUILD_ASSERT_EXPR(sizeof(PyFrameObject) == offsetof(PyFrameObject, f_localsplus) + Py_MEMBER_SIZE(PyFrameObject, f_localsplus)),\ + (void)(__pyx_pyframe_localsplus_offset = ((size_t)PyFrame_Type.tp_basicsize) - Py_MEMBER_SIZE(PyFrameObject, f_localsplus))) + #define __Pyx_PyFrame_GetLocalsplus(frame)\ + (assert(__pyx_pyframe_localsplus_offset), (PyObject **)(((char *)(frame)) + __pyx_pyframe_localsplus_offset)) +#endif +#endif +#endif + +/* PyObjectCall.proto */ +#if CYTHON_COMPILING_IN_CPYTHON +static CYTHON_INLINE PyObject* __Pyx_PyObject_Call(PyObject *func, PyObject *arg, PyObject *kw); +#else +#define __Pyx_PyObject_Call(func, arg, kw) PyObject_Call(func, arg, kw) +#endif + +/* PyObjectCallMethO.proto */ +#if CYTHON_COMPILING_IN_CPYTHON +static CYTHON_INLINE PyObject* __Pyx_PyObject_CallMethO(PyObject *func, PyObject *arg); +#endif + +/* PyObjectFastCall.proto */ +#define __Pyx_PyObject_FastCall(func, args, nargs) __Pyx_PyObject_FastCallDict(func, args, (size_t)(nargs), NULL) +static CYTHON_INLINE PyObject* __Pyx_PyObject_FastCallDict(PyObject *func, PyObject **args, size_t nargs, PyObject *kwargs); + +/* RaiseUnexpectedTypeError.proto */ +static int __Pyx_RaiseUnexpectedTypeError(const char *expected, PyObject *obj); + +/* GCCDiagnostics.proto */ +#if !defined(__INTEL_COMPILER) && defined(__GNUC__) && (__GNUC__ > 4 || (__GNUC__ == 4 && __GNUC_MINOR__ >= 6)) +#define __Pyx_HAS_GCC_DIAGNOSTIC +#endif + +/* BuildPyUnicode.proto */ +static PyObject* __Pyx_PyUnicode_BuildFromAscii(Py_ssize_t ulength, char* chars, int clength, + int prepend_sign, char padding_char); + +/* CIntToPyUnicode.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyUnicode_From_int(int value, Py_ssize_t width, char padding_char, char format_char); + +/* CIntToPyUnicode.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyUnicode_From_Py_ssize_t(Py_ssize_t value, Py_ssize_t width, char padding_char, char format_char); + +/* JoinPyUnicode.proto */ +static PyObject* __Pyx_PyUnicode_Join(PyObject* value_tuple, Py_ssize_t value_count, Py_ssize_t result_ulength, + Py_UCS4 max_char); + +/* StrEquals.proto */ +#if PY_MAJOR_VERSION >= 3 +#define __Pyx_PyString_Equals __Pyx_PyUnicode_Equals +#else +#define __Pyx_PyString_Equals __Pyx_PyBytes_Equals +#endif + +/* PyObjectFormatSimple.proto */ +#if CYTHON_COMPILING_IN_PYPY + #define __Pyx_PyObject_FormatSimple(s, f) (\ + likely(PyUnicode_CheckExact(s)) ? (Py_INCREF(s), s) :\ + PyObject_Format(s, f)) +#elif PY_MAJOR_VERSION < 3 + #define __Pyx_PyObject_FormatSimple(s, f) (\ + likely(PyUnicode_CheckExact(s)) ? (Py_INCREF(s), s) :\ + likely(PyString_CheckExact(s)) ? PyUnicode_FromEncodedObject(s, NULL, "strict") :\ + PyObject_Format(s, f)) +#elif CYTHON_USE_TYPE_SLOTS + #define __Pyx_PyObject_FormatSimple(s, f) (\ + likely(PyUnicode_CheckExact(s)) ? (Py_INCREF(s), s) :\ + likely(PyLong_CheckExact(s)) ? PyLong_Type.tp_repr(s) :\ + likely(PyFloat_CheckExact(s)) ? PyFloat_Type.tp_repr(s) :\ + PyObject_Format(s, f)) +#else + #define __Pyx_PyObject_FormatSimple(s, f) (\ + likely(PyUnicode_CheckExact(s)) ? (Py_INCREF(s), s) :\ + PyObject_Format(s, f)) +#endif + +CYTHON_UNUSED static int __pyx_array_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ +static PyObject *__pyx_array_get_memview(struct __pyx_array_obj *); /*proto*/ +/* GetAttr.proto */ +static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *, PyObject *); + +/* GetItemInt.proto */ +#define __Pyx_GetItemInt(o, i, type, is_signed, to_py_func, is_list, wraparound, boundscheck)\ + (__Pyx_fits_Py_ssize_t(i, type, is_signed) ?\ + __Pyx_GetItemInt_Fast(o, (Py_ssize_t)i, is_list, wraparound, boundscheck) :\ + (is_list ? (PyErr_SetString(PyExc_IndexError, "list index out of range"), (PyObject*)NULL) :\ + __Pyx_GetItemInt_Generic(o, to_py_func(i)))) +#define __Pyx_GetItemInt_List(o, i, type, is_signed, to_py_func, is_list, wraparound, boundscheck)\ + (__Pyx_fits_Py_ssize_t(i, type, is_signed) ?\ + __Pyx_GetItemInt_List_Fast(o, (Py_ssize_t)i, wraparound, boundscheck) :\ + (PyErr_SetString(PyExc_IndexError, "list index out of range"), (PyObject*)NULL)) +static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, + int wraparound, int boundscheck); +#define __Pyx_GetItemInt_Tuple(o, i, type, is_signed, to_py_func, is_list, wraparound, boundscheck)\ + (__Pyx_fits_Py_ssize_t(i, type, is_signed) ?\ + __Pyx_GetItemInt_Tuple_Fast(o, (Py_ssize_t)i, wraparound, boundscheck) :\ + (PyErr_SetString(PyExc_IndexError, "tuple index out of range"), (PyObject*)NULL)) +static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, + int wraparound, int boundscheck); +static PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j); +static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, + int is_list, int wraparound, int boundscheck); + +/* PyObjectCallOneArg.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyObject_CallOneArg(PyObject *func, PyObject *arg); + +/* ObjectGetItem.proto */ +#if CYTHON_USE_TYPE_SLOTS +static CYTHON_INLINE PyObject *__Pyx_PyObject_GetItem(PyObject *obj, PyObject *key); +#else +#define __Pyx_PyObject_GetItem(obj, key) PyObject_GetItem(obj, key) +#endif + +/* KeywordStringCheck.proto */ +static int __Pyx_CheckKeywordStrings(PyObject *kw, const char* function_name, int kw_allowed); + +/* DivInt[Py_ssize_t].proto */ +static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t, Py_ssize_t); + +/* UnaryNegOverflows.proto */ +#define __Pyx_UNARY_NEG_WOULD_OVERFLOW(x)\ + (((x) < 0) & ((unsigned long)(x) == 0-(unsigned long)(x))) + +/* GetAttr3.proto */ +static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *, PyObject *, PyObject *); + +/* PyDictVersioning.proto */ +#if CYTHON_USE_DICT_VERSIONS && CYTHON_USE_TYPE_SLOTS +#define __PYX_DICT_VERSION_INIT ((PY_UINT64_T) -1) +#define __PYX_GET_DICT_VERSION(dict) (((PyDictObject*)(dict))->ma_version_tag) +#define __PYX_UPDATE_DICT_CACHE(dict, value, cache_var, version_var)\ + (version_var) = __PYX_GET_DICT_VERSION(dict);\ + (cache_var) = (value); +#define __PYX_PY_DICT_LOOKUP_IF_MODIFIED(VAR, DICT, LOOKUP) {\ + static PY_UINT64_T __pyx_dict_version = 0;\ + static PyObject *__pyx_dict_cached_value = NULL;\ + if (likely(__PYX_GET_DICT_VERSION(DICT) == __pyx_dict_version)) {\ + (VAR) = __pyx_dict_cached_value;\ + } else {\ + (VAR) = __pyx_dict_cached_value = (LOOKUP);\ + __pyx_dict_version = __PYX_GET_DICT_VERSION(DICT);\ + }\ +} +static CYTHON_INLINE PY_UINT64_T __Pyx_get_tp_dict_version(PyObject *obj); +static CYTHON_INLINE PY_UINT64_T __Pyx_get_object_dict_version(PyObject *obj); +static CYTHON_INLINE int __Pyx_object_dict_version_matches(PyObject* obj, PY_UINT64_T tp_dict_version, PY_UINT64_T obj_dict_version); +#else +#define __PYX_GET_DICT_VERSION(dict) (0) +#define __PYX_UPDATE_DICT_CACHE(dict, value, cache_var, version_var) +#define __PYX_PY_DICT_LOOKUP_IF_MODIFIED(VAR, DICT, LOOKUP) (VAR) = (LOOKUP); +#endif + +/* GetModuleGlobalName.proto */ +#if CYTHON_USE_DICT_VERSIONS +#define __Pyx_GetModuleGlobalName(var, name) do {\ + static PY_UINT64_T __pyx_dict_version = 0;\ + static PyObject *__pyx_dict_cached_value = NULL;\ + (var) = (likely(__pyx_dict_version == __PYX_GET_DICT_VERSION(__pyx_d))) ?\ + (likely(__pyx_dict_cached_value) ? __Pyx_NewRef(__pyx_dict_cached_value) : __Pyx_GetBuiltinName(name)) :\ + __Pyx__GetModuleGlobalName(name, &__pyx_dict_version, &__pyx_dict_cached_value);\ +} while(0) +#define __Pyx_GetModuleGlobalNameUncached(var, name) do {\ + PY_UINT64_T __pyx_dict_version;\ + PyObject *__pyx_dict_cached_value;\ + (var) = __Pyx__GetModuleGlobalName(name, &__pyx_dict_version, &__pyx_dict_cached_value);\ +} while(0) +static PyObject *__Pyx__GetModuleGlobalName(PyObject *name, PY_UINT64_T *dict_version, PyObject **dict_cached_value); +#else +#define __Pyx_GetModuleGlobalName(var, name) (var) = __Pyx__GetModuleGlobalName(name) +#define __Pyx_GetModuleGlobalNameUncached(var, name) (var) = __Pyx__GetModuleGlobalName(name) +static CYTHON_INLINE PyObject *__Pyx__GetModuleGlobalName(PyObject *name); +#endif + +/* AssertionsEnabled.proto */ +#if CYTHON_COMPILING_IN_PYPY && PY_VERSION_HEX < 0x02070600 && !defined(Py_OptimizeFlag) + #define __Pyx_init_assertions_enabled() (0) + #define __pyx_assertions_enabled() (1) +#elif CYTHON_COMPILING_IN_LIMITED_API || (CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030C0000) + static int __pyx_assertions_enabled_flag; + #define __pyx_assertions_enabled() (__pyx_assertions_enabled_flag) + static int __Pyx_init_assertions_enabled(void) { + PyObject *builtins, *debug, *debug_str; + int flag; + builtins = PyEval_GetBuiltins(); + if (!builtins) goto bad; + debug_str = PyUnicode_FromStringAndSize("__debug__", 9); + if (!debug_str) goto bad; + debug = PyObject_GetItem(builtins, debug_str); + Py_DECREF(debug_str); + if (!debug) goto bad; + flag = PyObject_IsTrue(debug); + Py_DECREF(debug); + if (flag == -1) goto bad; + __pyx_assertions_enabled_flag = flag; + return 0; + bad: + __pyx_assertions_enabled_flag = 1; + return -1; + } +#else + #define __Pyx_init_assertions_enabled() (0) + #define __pyx_assertions_enabled() (!Py_OptimizeFlag) +#endif + +/* RaiseTooManyValuesToUnpack.proto */ +static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected); + +/* RaiseNeedMoreValuesToUnpack.proto */ +static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index); + +/* RaiseNoneIterError.proto */ +static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void); + +/* ExtTypeTest.proto */ +static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type); + +/* GetTopmostException.proto */ +#if CYTHON_USE_EXC_INFO_STACK && CYTHON_FAST_THREAD_STATE +static _PyErr_StackItem * __Pyx_PyErr_GetTopmostException(PyThreadState *tstate); +#endif + +/* SaveResetException.proto */ +#if CYTHON_FAST_THREAD_STATE +#define __Pyx_ExceptionSave(type, value, tb) __Pyx__ExceptionSave(__pyx_tstate, type, value, tb) +static CYTHON_INLINE void __Pyx__ExceptionSave(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb); +#define __Pyx_ExceptionReset(type, value, tb) __Pyx__ExceptionReset(__pyx_tstate, type, value, tb) +static CYTHON_INLINE void __Pyx__ExceptionReset(PyThreadState *tstate, PyObject *type, PyObject *value, PyObject *tb); +#else +#define __Pyx_ExceptionSave(type, value, tb) PyErr_GetExcInfo(type, value, tb) +#define __Pyx_ExceptionReset(type, value, tb) PyErr_SetExcInfo(type, value, tb) +#endif + +/* GetException.proto */ +#if CYTHON_FAST_THREAD_STATE +#define __Pyx_GetException(type, value, tb) __Pyx__GetException(__pyx_tstate, type, value, tb) +static int __Pyx__GetException(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb); +#else +static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb); +#endif + +/* SwapException.proto */ +#if CYTHON_FAST_THREAD_STATE +#define __Pyx_ExceptionSwap(type, value, tb) __Pyx__ExceptionSwap(__pyx_tstate, type, value, tb) +static CYTHON_INLINE void __Pyx__ExceptionSwap(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb); +#else +static CYTHON_INLINE void __Pyx_ExceptionSwap(PyObject **type, PyObject **value, PyObject **tb); +#endif + +/* Import.proto */ +static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level); + +/* ImportDottedModule.proto */ +static PyObject *__Pyx_ImportDottedModule(PyObject *name, PyObject *parts_tuple); +#if PY_MAJOR_VERSION >= 3 +static PyObject *__Pyx_ImportDottedModule_WalkParts(PyObject *module, PyObject *name, PyObject *parts_tuple); +#endif + +/* FastTypeChecks.proto */ +#if CYTHON_COMPILING_IN_CPYTHON +#define __Pyx_TypeCheck(obj, type) __Pyx_IsSubtype(Py_TYPE(obj), (PyTypeObject *)type) +#define __Pyx_TypeCheck2(obj, type1, type2) __Pyx_IsAnySubtype2(Py_TYPE(obj), (PyTypeObject *)type1, (PyTypeObject *)type2) +static CYTHON_INLINE int __Pyx_IsSubtype(PyTypeObject *a, PyTypeObject *b); +static CYTHON_INLINE int __Pyx_IsAnySubtype2(PyTypeObject *cls, PyTypeObject *a, PyTypeObject *b); +static CYTHON_INLINE int __Pyx_PyErr_GivenExceptionMatches(PyObject *err, PyObject *type); +static CYTHON_INLINE int __Pyx_PyErr_GivenExceptionMatches2(PyObject *err, PyObject *type1, PyObject *type2); +#else +#define __Pyx_TypeCheck(obj, type) PyObject_TypeCheck(obj, (PyTypeObject *)type) +#define __Pyx_TypeCheck2(obj, type1, type2) (PyObject_TypeCheck(obj, (PyTypeObject *)type1) || PyObject_TypeCheck(obj, (PyTypeObject *)type2)) +#define __Pyx_PyErr_GivenExceptionMatches(err, type) PyErr_GivenExceptionMatches(err, type) +#define __Pyx_PyErr_GivenExceptionMatches2(err, type1, type2) (PyErr_GivenExceptionMatches(err, type1) || PyErr_GivenExceptionMatches(err, type2)) +#endif +#define __Pyx_PyErr_ExceptionMatches2(err1, err2) __Pyx_PyErr_GivenExceptionMatches2(__Pyx_PyErr_CurrentExceptionType(), err1, err2) +#define __Pyx_PyException_Check(obj) __Pyx_TypeCheck(obj, PyExc_Exception) + +CYTHON_UNUSED static int __pyx_memoryview_getbuffer(PyObject *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /*proto*/ +/* ListCompAppend.proto */ +#if CYTHON_USE_PYLIST_INTERNALS && CYTHON_ASSUME_SAFE_MACROS +static CYTHON_INLINE int __Pyx_ListComp_Append(PyObject* list, PyObject* x) { + PyListObject* L = (PyListObject*) list; + Py_ssize_t len = Py_SIZE(list); + if (likely(L->allocated > len)) { + Py_INCREF(x); + #if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030d0000 + L->ob_item[len] = x; + #else + PyList_SET_ITEM(list, len, x); + #endif + __Pyx_SET_SIZE(list, len + 1); + return 0; + } + return PyList_Append(list, x); +} +#else +#define __Pyx_ListComp_Append(L,x) PyList_Append(L,x) +#endif + +/* PySequenceMultiply.proto */ +#define __Pyx_PySequence_Multiply_Left(mul, seq) __Pyx_PySequence_Multiply(seq, mul) +static CYTHON_INLINE PyObject* __Pyx_PySequence_Multiply(PyObject *seq, Py_ssize_t mul); + +/* SetItemInt.proto */ +#define __Pyx_SetItemInt(o, i, v, type, is_signed, to_py_func, is_list, wraparound, boundscheck)\ + (__Pyx_fits_Py_ssize_t(i, type, is_signed) ?\ + __Pyx_SetItemInt_Fast(o, (Py_ssize_t)i, v, is_list, wraparound, boundscheck) :\ + (is_list ? (PyErr_SetString(PyExc_IndexError, "list assignment index out of range"), -1) :\ + __Pyx_SetItemInt_Generic(o, to_py_func(i), v))) +static int __Pyx_SetItemInt_Generic(PyObject *o, PyObject *j, PyObject *v); +static CYTHON_INLINE int __Pyx_SetItemInt_Fast(PyObject *o, Py_ssize_t i, PyObject *v, + int is_list, int wraparound, int boundscheck); + +/* RaiseUnboundLocalError.proto */ +static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname); + +/* DivInt[long].proto */ +static CYTHON_INLINE long __Pyx_div_long(long, long); + +/* PySequenceContains.proto */ +static CYTHON_INLINE int __Pyx_PySequence_ContainsTF(PyObject* item, PyObject* seq, int eq) { + int result = PySequence_Contains(seq, item); + return unlikely(result < 0) ? result : (result == (eq == Py_EQ)); +} + +/* ImportFrom.proto */ +static PyObject* __Pyx_ImportFrom(PyObject* module, PyObject* name); + +/* HasAttr.proto */ +static CYTHON_INLINE int __Pyx_HasAttr(PyObject *, PyObject *); + +/* PyObject_GenericGetAttrNoDict.proto */ +#if CYTHON_USE_TYPE_SLOTS && CYTHON_USE_PYTYPE_LOOKUP && PY_VERSION_HEX < 0x03070000 +static CYTHON_INLINE PyObject* __Pyx_PyObject_GenericGetAttrNoDict(PyObject* obj, PyObject* attr_name); +#else +#define __Pyx_PyObject_GenericGetAttrNoDict PyObject_GenericGetAttr +#endif + +/* PyObject_GenericGetAttr.proto */ +#if CYTHON_USE_TYPE_SLOTS && CYTHON_USE_PYTYPE_LOOKUP && PY_VERSION_HEX < 0x03070000 +static PyObject* __Pyx_PyObject_GenericGetAttr(PyObject* obj, PyObject* attr_name); +#else +#define __Pyx_PyObject_GenericGetAttr PyObject_GenericGetAttr +#endif + +/* IncludeStructmemberH.proto */ +#include + +/* FixUpExtensionType.proto */ +#if CYTHON_USE_TYPE_SPECS +static int __Pyx_fix_up_extension_type_from_spec(PyType_Spec *spec, PyTypeObject *type); +#endif + +/* PyObjectCallNoArg.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyObject_CallNoArg(PyObject *func); + +/* PyObjectGetMethod.proto */ +static int __Pyx_PyObject_GetMethod(PyObject *obj, PyObject *name, PyObject **method); + +/* PyObjectCallMethod0.proto */ +static PyObject* __Pyx_PyObject_CallMethod0(PyObject* obj, PyObject* method_name); + +/* ValidateBasesTuple.proto */ +#if CYTHON_COMPILING_IN_CPYTHON || CYTHON_COMPILING_IN_LIMITED_API || CYTHON_USE_TYPE_SPECS +static int __Pyx_validate_bases_tuple(const char *type_name, Py_ssize_t dictoffset, PyObject *bases); +#endif + +/* PyType_Ready.proto */ +CYTHON_UNUSED static int __Pyx_PyType_Ready(PyTypeObject *t); + +/* SetVTable.proto */ +static int __Pyx_SetVtable(PyTypeObject* typeptr , void* vtable); + +/* GetVTable.proto */ +static void* __Pyx_GetVtable(PyTypeObject *type); + +/* MergeVTables.proto */ +#if !CYTHON_COMPILING_IN_LIMITED_API +static int __Pyx_MergeVtables(PyTypeObject *type); +#endif + +/* SetupReduce.proto */ +#if !CYTHON_COMPILING_IN_LIMITED_API +static int __Pyx_setup_reduce(PyObject* type_obj); +#endif + +/* TypeImport.proto */ +#ifndef __PYX_HAVE_RT_ImportType_proto_3_0_11 +#define __PYX_HAVE_RT_ImportType_proto_3_0_11 +#if defined (__STDC_VERSION__) && __STDC_VERSION__ >= 201112L +#include +#endif +#if (defined (__STDC_VERSION__) && __STDC_VERSION__ >= 201112L) || __cplusplus >= 201103L +#define __PYX_GET_STRUCT_ALIGNMENT_3_0_11(s) alignof(s) +#else +#define __PYX_GET_STRUCT_ALIGNMENT_3_0_11(s) sizeof(void*) +#endif +enum __Pyx_ImportType_CheckSize_3_0_11 { + __Pyx_ImportType_CheckSize_Error_3_0_11 = 0, + __Pyx_ImportType_CheckSize_Warn_3_0_11 = 1, + __Pyx_ImportType_CheckSize_Ignore_3_0_11 = 2 +}; +static PyTypeObject *__Pyx_ImportType_3_0_11(PyObject* module, const char *module_name, const char *class_name, size_t size, size_t alignment, enum __Pyx_ImportType_CheckSize_3_0_11 check_size); +#endif + +/* FetchSharedCythonModule.proto */ +static PyObject *__Pyx_FetchSharedCythonABIModule(void); + +/* FetchCommonType.proto */ +#if !CYTHON_USE_TYPE_SPECS +static PyTypeObject* __Pyx_FetchCommonType(PyTypeObject* type); +#else +static PyTypeObject* __Pyx_FetchCommonTypeFromSpec(PyObject *module, PyType_Spec *spec, PyObject *bases); +#endif + +/* PyMethodNew.proto */ +#if CYTHON_COMPILING_IN_LIMITED_API +static PyObject *__Pyx_PyMethod_New(PyObject *func, PyObject *self, PyObject *typ) { + PyObject *typesModule=NULL, *methodType=NULL, *result=NULL; + CYTHON_UNUSED_VAR(typ); + if (!self) + return __Pyx_NewRef(func); + typesModule = PyImport_ImportModule("types"); + if (!typesModule) return NULL; + methodType = PyObject_GetAttrString(typesModule, "MethodType"); + Py_DECREF(typesModule); + if (!methodType) return NULL; + result = PyObject_CallFunctionObjArgs(methodType, func, self, NULL); + Py_DECREF(methodType); + return result; +} +#elif PY_MAJOR_VERSION >= 3 +static PyObject *__Pyx_PyMethod_New(PyObject *func, PyObject *self, PyObject *typ) { + CYTHON_UNUSED_VAR(typ); + if (!self) + return __Pyx_NewRef(func); + return PyMethod_New(func, self); +} +#else + #define __Pyx_PyMethod_New PyMethod_New +#endif + +/* PyVectorcallFastCallDict.proto */ +#if CYTHON_METH_FASTCALL +static CYTHON_INLINE PyObject *__Pyx_PyVectorcall_FastCallDict(PyObject *func, __pyx_vectorcallfunc vc, PyObject *const *args, size_t nargs, PyObject *kw); +#endif + +/* CythonFunctionShared.proto */ +#define __Pyx_CyFunction_USED +#define __Pyx_CYFUNCTION_STATICMETHOD 0x01 +#define __Pyx_CYFUNCTION_CLASSMETHOD 0x02 +#define __Pyx_CYFUNCTION_CCLASS 0x04 +#define __Pyx_CYFUNCTION_COROUTINE 0x08 +#define __Pyx_CyFunction_GetClosure(f)\ + (((__pyx_CyFunctionObject *) (f))->func_closure) +#if PY_VERSION_HEX < 0x030900B1 || CYTHON_COMPILING_IN_LIMITED_API + #define __Pyx_CyFunction_GetClassObj(f)\ + (((__pyx_CyFunctionObject *) (f))->func_classobj) +#else + #define __Pyx_CyFunction_GetClassObj(f)\ + ((PyObject*) ((PyCMethodObject *) (f))->mm_class) +#endif +#define __Pyx_CyFunction_SetClassObj(f, classobj)\ + __Pyx__CyFunction_SetClassObj((__pyx_CyFunctionObject *) (f), (classobj)) +#define __Pyx_CyFunction_Defaults(type, f)\ + ((type *)(((__pyx_CyFunctionObject *) (f))->defaults)) +#define __Pyx_CyFunction_SetDefaultsGetter(f, g)\ + ((__pyx_CyFunctionObject *) (f))->defaults_getter = (g) +typedef struct { +#if CYTHON_COMPILING_IN_LIMITED_API + PyObject_HEAD + PyObject *func; +#elif PY_VERSION_HEX < 0x030900B1 + PyCFunctionObject func; +#else + PyCMethodObject func; +#endif +#if CYTHON_BACKPORT_VECTORCALL + __pyx_vectorcallfunc func_vectorcall; +#endif +#if PY_VERSION_HEX < 0x030500A0 || CYTHON_COMPILING_IN_LIMITED_API + PyObject *func_weakreflist; +#endif + PyObject *func_dict; + PyObject *func_name; + PyObject *func_qualname; + PyObject *func_doc; + PyObject *func_globals; + PyObject *func_code; + PyObject *func_closure; +#if PY_VERSION_HEX < 0x030900B1 || CYTHON_COMPILING_IN_LIMITED_API + PyObject *func_classobj; +#endif + void *defaults; + int defaults_pyobjects; + size_t defaults_size; + int flags; + PyObject *defaults_tuple; + PyObject *defaults_kwdict; + PyObject *(*defaults_getter)(PyObject *); + PyObject *func_annotations; + PyObject *func_is_coroutine; +} __pyx_CyFunctionObject; +#undef __Pyx_CyOrPyCFunction_Check +#define __Pyx_CyFunction_Check(obj) __Pyx_TypeCheck(obj, __pyx_CyFunctionType) +#define __Pyx_CyOrPyCFunction_Check(obj) __Pyx_TypeCheck2(obj, __pyx_CyFunctionType, &PyCFunction_Type) +#define __Pyx_CyFunction_CheckExact(obj) __Pyx_IS_TYPE(obj, __pyx_CyFunctionType) +static CYTHON_INLINE int __Pyx__IsSameCyOrCFunction(PyObject *func, void *cfunc); +#undef __Pyx_IsSameCFunction +#define __Pyx_IsSameCFunction(func, cfunc) __Pyx__IsSameCyOrCFunction(func, cfunc) +static PyObject *__Pyx_CyFunction_Init(__pyx_CyFunctionObject* op, PyMethodDef *ml, + int flags, PyObject* qualname, + PyObject *closure, + PyObject *module, PyObject *globals, + PyObject* code); +static CYTHON_INLINE void __Pyx__CyFunction_SetClassObj(__pyx_CyFunctionObject* f, PyObject* classobj); +static CYTHON_INLINE void *__Pyx_CyFunction_InitDefaults(PyObject *m, + size_t size, + int pyobjects); +static CYTHON_INLINE void __Pyx_CyFunction_SetDefaultsTuple(PyObject *m, + PyObject *tuple); +static CYTHON_INLINE void __Pyx_CyFunction_SetDefaultsKwDict(PyObject *m, + PyObject *dict); +static CYTHON_INLINE void __Pyx_CyFunction_SetAnnotationsDict(PyObject *m, + PyObject *dict); +static int __pyx_CyFunction_init(PyObject *module); +#if CYTHON_METH_FASTCALL +static PyObject * __Pyx_CyFunction_Vectorcall_NOARGS(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames); +static PyObject * __Pyx_CyFunction_Vectorcall_O(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames); +static PyObject * __Pyx_CyFunction_Vectorcall_FASTCALL_KEYWORDS(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames); +static PyObject * __Pyx_CyFunction_Vectorcall_FASTCALL_KEYWORDS_METHOD(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames); +#if CYTHON_BACKPORT_VECTORCALL +#define __Pyx_CyFunction_func_vectorcall(f) (((__pyx_CyFunctionObject*)f)->func_vectorcall) +#else +#define __Pyx_CyFunction_func_vectorcall(f) (((PyCFunctionObject*)f)->vectorcall) +#endif +#endif + +/* CythonFunction.proto */ +static PyObject *__Pyx_CyFunction_New(PyMethodDef *ml, + int flags, PyObject* qualname, + PyObject *closure, + PyObject *module, PyObject *globals, + PyObject* code); + +/* CLineInTraceback.proto */ +#ifdef CYTHON_CLINE_IN_TRACEBACK +#define __Pyx_CLineForTraceback(tstate, c_line) (((CYTHON_CLINE_IN_TRACEBACK)) ? c_line : 0) +#else +static int __Pyx_CLineForTraceback(PyThreadState *tstate, int c_line); +#endif + +/* CodeObjectCache.proto */ +#if !CYTHON_COMPILING_IN_LIMITED_API +typedef struct { + PyCodeObject* code_object; + int code_line; +} __Pyx_CodeObjectCacheEntry; +struct __Pyx_CodeObjectCache { + int count; + int max_count; + __Pyx_CodeObjectCacheEntry* entries; +}; +static struct __Pyx_CodeObjectCache __pyx_code_cache = {0,0,NULL}; +static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line); +static PyCodeObject *__pyx_find_code_object(int code_line); +static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object); +#endif + +/* AddTraceback.proto */ +static void __Pyx_AddTraceback(const char *funcname, int c_line, + int py_line, const char *filename); + +#if PY_MAJOR_VERSION < 3 + static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags); + static void __Pyx_ReleaseBuffer(Py_buffer *view); +#else + #define __Pyx_GetBuffer PyObject_GetBuffer + #define __Pyx_ReleaseBuffer PyBuffer_Release +#endif + + +/* BufferStructDeclare.proto */ +typedef struct { + Py_ssize_t shape, strides, suboffsets; +} __Pyx_Buf_DimInfo; +typedef struct { + size_t refcount; + Py_buffer pybuffer; +} __Pyx_Buffer; +typedef struct { + __Pyx_Buffer *rcbuffer; + char *data; + __Pyx_Buf_DimInfo diminfo[8]; +} __Pyx_LocalBuf_ND; + +/* MemviewSliceIsContig.proto */ +static int __pyx_memviewslice_is_contig(const __Pyx_memviewslice mvs, char order, int ndim); + +/* OverlappingSlices.proto */ +static int __pyx_slices_overlap(__Pyx_memviewslice *slice1, + __Pyx_memviewslice *slice2, + int ndim, size_t itemsize); + +/* IsLittleEndian.proto */ +static CYTHON_INLINE int __Pyx_Is_Little_Endian(void); + +/* BufferFormatCheck.proto */ +static const char* __Pyx_BufFmt_CheckString(__Pyx_BufFmt_Context* ctx, const char* ts); +static void __Pyx_BufFmt_Init(__Pyx_BufFmt_Context* ctx, + __Pyx_BufFmt_StackElem* stack, + __Pyx_TypeInfo* type); + +/* TypeInfoCompare.proto */ +static int __pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b); + +/* MemviewSliceValidateAndInit.proto */ +static int __Pyx_ValidateAndInit_memviewslice( + int *axes_specs, + int c_or_f_flag, + int buf_flags, + int ndim, + __Pyx_TypeInfo *dtype, + __Pyx_BufFmt_StackElem stack[], + __Pyx_memviewslice *memviewslice, + PyObject *original_obj); + +/* ObjectToMemviewSlice.proto */ +static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_dsds_float(PyObject *, int writable_flag); + +/* ObjectToMemviewSlice.proto */ +static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_long(PyObject *, int writable_flag); + +/* MemviewDtypeToObject.proto */ +static CYTHON_INLINE PyObject *__pyx_memview_get_float(const char *itemp); +static CYTHON_INLINE int __pyx_memview_set_float(const char *itemp, PyObject *obj); + +/* RealImag.proto */ +#if CYTHON_CCOMPLEX + #ifdef __cplusplus + #define __Pyx_CREAL(z) ((z).real()) + #define __Pyx_CIMAG(z) ((z).imag()) + #else + #define __Pyx_CREAL(z) (__real__(z)) + #define __Pyx_CIMAG(z) (__imag__(z)) + #endif +#else + #define __Pyx_CREAL(z) ((z).real) + #define __Pyx_CIMAG(z) ((z).imag) +#endif +#if defined(__cplusplus) && CYTHON_CCOMPLEX\ + && (defined(_WIN32) || defined(__clang__) || (defined(__GNUC__) && (__GNUC__ >= 5 || __GNUC__ == 4 && __GNUC_MINOR__ >= 4 )) || __cplusplus >= 201103) + #define __Pyx_SET_CREAL(z,x) ((z).real(x)) + #define __Pyx_SET_CIMAG(z,y) ((z).imag(y)) +#else + #define __Pyx_SET_CREAL(z,x) __Pyx_CREAL(z) = (x) + #define __Pyx_SET_CIMAG(z,y) __Pyx_CIMAG(z) = (y) +#endif + +/* Arithmetic.proto */ +#if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) + #define __Pyx_c_eq_float(a, b) ((a)==(b)) + #define __Pyx_c_sum_float(a, b) ((a)+(b)) + #define __Pyx_c_diff_float(a, b) ((a)-(b)) + #define __Pyx_c_prod_float(a, b) ((a)*(b)) + #define __Pyx_c_quot_float(a, b) ((a)/(b)) + #define __Pyx_c_neg_float(a) (-(a)) + #ifdef __cplusplus + #define __Pyx_c_is_zero_float(z) ((z)==(float)0) + #define __Pyx_c_conj_float(z) (::std::conj(z)) + #if 1 + #define __Pyx_c_abs_float(z) (::std::abs(z)) + #define __Pyx_c_pow_float(a, b) (::std::pow(a, b)) + #endif + #else + #define __Pyx_c_is_zero_float(z) ((z)==0) + #define __Pyx_c_conj_float(z) (conjf(z)) + #if 1 + #define __Pyx_c_abs_float(z) (cabsf(z)) + #define __Pyx_c_pow_float(a, b) (cpowf(a, b)) + #endif + #endif +#else + static CYTHON_INLINE int __Pyx_c_eq_float(__pyx_t_float_complex, __pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sum_float(__pyx_t_float_complex, __pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_diff_float(__pyx_t_float_complex, __pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prod_float(__pyx_t_float_complex, __pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quot_float(__pyx_t_float_complex, __pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_neg_float(__pyx_t_float_complex); + static CYTHON_INLINE int __Pyx_c_is_zero_float(__pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conj_float(__pyx_t_float_complex); + #if 1 + static CYTHON_INLINE float __Pyx_c_abs_float(__pyx_t_float_complex); + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_pow_float(__pyx_t_float_complex, __pyx_t_float_complex); + #endif +#endif + +/* Arithmetic.proto */ +#if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) + #define __Pyx_c_eq_double(a, b) ((a)==(b)) + #define __Pyx_c_sum_double(a, b) ((a)+(b)) + #define __Pyx_c_diff_double(a, b) ((a)-(b)) + #define __Pyx_c_prod_double(a, b) ((a)*(b)) + #define __Pyx_c_quot_double(a, b) ((a)/(b)) + #define __Pyx_c_neg_double(a) (-(a)) + #ifdef __cplusplus + #define __Pyx_c_is_zero_double(z) ((z)==(double)0) + #define __Pyx_c_conj_double(z) (::std::conj(z)) + #if 1 + #define __Pyx_c_abs_double(z) (::std::abs(z)) + #define __Pyx_c_pow_double(a, b) (::std::pow(a, b)) + #endif + #else + #define __Pyx_c_is_zero_double(z) ((z)==0) + #define __Pyx_c_conj_double(z) (conj(z)) + #if 1 + #define __Pyx_c_abs_double(z) (cabs(z)) + #define __Pyx_c_pow_double(a, b) (cpow(a, b)) + #endif + #endif +#else + static CYTHON_INLINE int __Pyx_c_eq_double(__pyx_t_double_complex, __pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum_double(__pyx_t_double_complex, __pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff_double(__pyx_t_double_complex, __pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod_double(__pyx_t_double_complex, __pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot_double(__pyx_t_double_complex, __pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg_double(__pyx_t_double_complex); + static CYTHON_INLINE int __Pyx_c_is_zero_double(__pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj_double(__pyx_t_double_complex); + #if 1 + static CYTHON_INLINE double __Pyx_c_abs_double(__pyx_t_double_complex); + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow_double(__pyx_t_double_complex, __pyx_t_double_complex); + #endif +#endif + +/* MemviewSliceCopyTemplate.proto */ +static __Pyx_memviewslice +__pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, + const char *mode, int ndim, + size_t sizeof_dtype, int contig_flag, + int dtype_is_object); + +/* MemviewSliceInit.proto */ +#define __Pyx_BUF_MAX_NDIMS %(BUF_MAX_NDIMS)d +#define __Pyx_MEMVIEW_DIRECT 1 +#define __Pyx_MEMVIEW_PTR 2 +#define __Pyx_MEMVIEW_FULL 4 +#define __Pyx_MEMVIEW_CONTIG 8 +#define __Pyx_MEMVIEW_STRIDED 16 +#define __Pyx_MEMVIEW_FOLLOW 32 +#define __Pyx_IS_C_CONTIG 1 +#define __Pyx_IS_F_CONTIG 2 +static int __Pyx_init_memviewslice( + struct __pyx_memoryview_obj *memview, + int ndim, + __Pyx_memviewslice *memviewslice, + int memview_is_new_reference); +static CYTHON_INLINE int __pyx_add_acquisition_count_locked( + __pyx_atomic_int_type *acquisition_count, PyThread_type_lock lock); +static CYTHON_INLINE int __pyx_sub_acquisition_count_locked( + __pyx_atomic_int_type *acquisition_count, PyThread_type_lock lock); +#define __pyx_get_slice_count_pointer(memview) (&memview->acquisition_count) +#define __PYX_INC_MEMVIEW(slice, have_gil) __Pyx_INC_MEMVIEW(slice, have_gil, __LINE__) +#define __PYX_XCLEAR_MEMVIEW(slice, have_gil) __Pyx_XCLEAR_MEMVIEW(slice, have_gil, __LINE__) +static CYTHON_INLINE void __Pyx_INC_MEMVIEW(__Pyx_memviewslice *, int, int); +static CYTHON_INLINE void __Pyx_XCLEAR_MEMVIEW(__Pyx_memviewslice *, int, int); + +/* CIntToPy.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyInt_From_int(int value); + +/* CIntFromPy.proto */ +static CYTHON_INLINE int __Pyx_PyInt_As_int(PyObject *); + +/* CIntFromPy.proto */ +static CYTHON_INLINE long __Pyx_PyInt_As_long(PyObject *); + +/* CIntToPy.proto */ +static CYTHON_INLINE PyObject* __Pyx_PyInt_From_long(long value); + +/* CIntFromPy.proto */ +static CYTHON_INLINE char __Pyx_PyInt_As_char(PyObject *); + +/* FormatTypeName.proto */ +#if CYTHON_COMPILING_IN_LIMITED_API +typedef PyObject *__Pyx_TypeName; +#define __Pyx_FMT_TYPENAME "%U" +static __Pyx_TypeName __Pyx_PyType_GetName(PyTypeObject* tp); +#define __Pyx_DECREF_TypeName(obj) Py_XDECREF(obj) +#else +typedef const char *__Pyx_TypeName; +#define __Pyx_FMT_TYPENAME "%.200s" +#define __Pyx_PyType_GetName(tp) ((tp)->tp_name) +#define __Pyx_DECREF_TypeName(obj) +#endif + +/* CheckBinaryVersion.proto */ +static unsigned long __Pyx_get_runtime_version(void); +static int __Pyx_check_binary_version(unsigned long ct_version, unsigned long rt_version, int allow_newer); + +/* InitStrings.proto */ +static int __Pyx_InitStrings(__Pyx_StringTabEntry *t); + +/* #### Code section: module_declarations ### */ +static PyObject *__pyx_array_get_memview(struct __pyx_array_obj *__pyx_v_self); /* proto*/ +static char *__pyx_memoryview_get_item_pointer(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index); /* proto*/ +static PyObject *__pyx_memoryview_is_slice(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_obj); /* proto*/ +static PyObject *__pyx_memoryview_setitem_slice_assignment(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_dst, PyObject *__pyx_v_src); /* proto*/ +static PyObject *__pyx_memoryview_setitem_slice_assign_scalar(struct __pyx_memoryview_obj *__pyx_v_self, struct __pyx_memoryview_obj *__pyx_v_dst, PyObject *__pyx_v_value); /* proto*/ +static PyObject *__pyx_memoryview_setitem_indexed(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index, PyObject *__pyx_v_value); /* proto*/ +static PyObject *__pyx_memoryview_convert_item_to_object(struct __pyx_memoryview_obj *__pyx_v_self, char *__pyx_v_itemp); /* proto*/ +static PyObject *__pyx_memoryview_assign_item_from_object(struct __pyx_memoryview_obj *__pyx_v_self, char *__pyx_v_itemp, PyObject *__pyx_v_value); /* proto*/ +static PyObject *__pyx_memoryview__get_base(struct __pyx_memoryview_obj *__pyx_v_self); /* proto*/ +static PyObject *__pyx_memoryviewslice_convert_item_to_object(struct __pyx_memoryviewslice_obj *__pyx_v_self, char *__pyx_v_itemp); /* proto*/ +static PyObject *__pyx_memoryviewslice_assign_item_from_object(struct __pyx_memoryviewslice_obj *__pyx_v_self, char *__pyx_v_itemp, PyObject *__pyx_v_value); /* proto*/ +static PyObject *__pyx_memoryviewslice__get_base(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto*/ +static CYTHON_INLINE PyObject *__pyx_f_5numpy_7ndarray_4base_base(PyArrayObject *__pyx_v_self); /* proto*/ +static CYTHON_INLINE PyArray_Descr *__pyx_f_5numpy_7ndarray_5descr_descr(PyArrayObject *__pyx_v_self); /* proto*/ +static CYTHON_INLINE int __pyx_f_5numpy_7ndarray_4ndim_ndim(PyArrayObject *__pyx_v_self); /* proto*/ +static CYTHON_INLINE npy_intp *__pyx_f_5numpy_7ndarray_5shape_shape(PyArrayObject *__pyx_v_self); /* proto*/ +static CYTHON_INLINE npy_intp *__pyx_f_5numpy_7ndarray_7strides_strides(PyArrayObject *__pyx_v_self); /* proto*/ +static CYTHON_INLINE npy_intp __pyx_f_5numpy_7ndarray_4size_size(PyArrayObject *__pyx_v_self); /* proto*/ +static CYTHON_INLINE char *__pyx_f_5numpy_7ndarray_4data_data(PyArrayObject *__pyx_v_self); /* proto*/ + +/* Module declarations from "libc.string" */ + +/* Module declarations from "libc.stdio" */ + +/* Module declarations from "__builtin__" */ + +/* Module declarations from "cpython.type" */ + +/* Module declarations from "cpython" */ + +/* Module declarations from "cpython.object" */ + +/* Module declarations from "cpython.ref" */ + +/* Module declarations from "numpy" */ + +/* Module declarations from "numpy" */ + +/* Module declarations from "cython.view" */ + +/* Module declarations from "cython.dataclasses" */ + +/* Module declarations from "cython" */ + +/* Module declarations from "DockQ.operations" */ +static PyObject *__pyx_collections_abc_Sequence = 0; +static PyObject *generic = 0; +static PyObject *strided = 0; +static PyObject *indirect = 0; +static PyObject *contiguous = 0; +static PyObject *indirect_contiguous = 0; +static int __pyx_memoryview_thread_locks_used; +static PyThread_type_lock __pyx_memoryview_thread_locks[8]; +static int __pyx_array_allocate_buffer(struct __pyx_array_obj *); /*proto*/ +static struct __pyx_array_obj *__pyx_array_new(PyObject *, Py_ssize_t, char *, char *, char *); /*proto*/ +static PyObject *__pyx_memoryview_new(PyObject *, int, int, __Pyx_TypeInfo *); /*proto*/ +static CYTHON_INLINE int __pyx_memoryview_check(PyObject *); /*proto*/ +static PyObject *_unellipsify(PyObject *, int); /*proto*/ +static int assert_direct_dimensions(Py_ssize_t *, int); /*proto*/ +static struct __pyx_memoryview_obj *__pyx_memview_slice(struct __pyx_memoryview_obj *, PyObject *); /*proto*/ +static int __pyx_memoryview_slice_memviewslice(__Pyx_memviewslice *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int *, Py_ssize_t, Py_ssize_t, Py_ssize_t, int, int, int, int); /*proto*/ +static char *__pyx_pybuffer_index(Py_buffer *, char *, Py_ssize_t, Py_ssize_t); /*proto*/ +static int __pyx_memslice_transpose(__Pyx_memviewslice *); /*proto*/ +static PyObject *__pyx_memoryview_fromslice(__Pyx_memviewslice, int, PyObject *(*)(char *), int (*)(char *, PyObject *), int); /*proto*/ +static __Pyx_memviewslice *__pyx_memoryview_get_slice_from_memoryview(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ +static void __pyx_memoryview_slice_copy(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ +static PyObject *__pyx_memoryview_copy_object(struct __pyx_memoryview_obj *); /*proto*/ +static PyObject *__pyx_memoryview_copy_object_from_slice(struct __pyx_memoryview_obj *, __Pyx_memviewslice *); /*proto*/ +static Py_ssize_t abs_py_ssize_t(Py_ssize_t); /*proto*/ +static char __pyx_get_best_slice_order(__Pyx_memviewslice *, int); /*proto*/ +static void _copy_strided_to_strided(char *, Py_ssize_t *, char *, Py_ssize_t *, Py_ssize_t *, Py_ssize_t *, int, size_t); /*proto*/ +static void copy_strided_to_strided(__Pyx_memviewslice *, __Pyx_memviewslice *, int, size_t); /*proto*/ +static Py_ssize_t __pyx_memoryview_slice_get_size(__Pyx_memviewslice *, int); /*proto*/ +static Py_ssize_t __pyx_fill_contig_strides_array(Py_ssize_t *, Py_ssize_t *, Py_ssize_t, int, char); /*proto*/ +static void *__pyx_memoryview_copy_data_to_temp(__Pyx_memviewslice *, __Pyx_memviewslice *, char, int); /*proto*/ +static int __pyx_memoryview_err_extents(int, Py_ssize_t, Py_ssize_t); /*proto*/ +static int __pyx_memoryview_err_dim(PyObject *, PyObject *, int); /*proto*/ +static int __pyx_memoryview_err(PyObject *, PyObject *); /*proto*/ +static int __pyx_memoryview_err_no_memory(void); /*proto*/ +static int __pyx_memoryview_copy_contents(__Pyx_memviewslice, __Pyx_memviewslice, int, int, int); /*proto*/ +static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *, int, int); /*proto*/ +static void __pyx_memoryview_refcount_copying(__Pyx_memviewslice *, int, int, int); /*proto*/ +static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ +static void __pyx_memoryview_refcount_objects_in_slice(char *, Py_ssize_t *, Py_ssize_t *, int, int); /*proto*/ +static void __pyx_memoryview_slice_assign_scalar(__Pyx_memviewslice *, int, size_t, void *, int); /*proto*/ +static void __pyx_memoryview__slice_assign_scalar(char *, Py_ssize_t *, Py_ssize_t *, int, size_t, void *); /*proto*/ +static PyObject *__pyx_unpickle_Enum__set_state(struct __pyx_MemviewEnum_obj *, PyObject *); /*proto*/ +/* #### Code section: typeinfo ### */ +static __Pyx_TypeInfo __Pyx_TypeInfo_float = { "float", NULL, sizeof(float), { 0 }, 0, 'R', 0, 0 }; +static __Pyx_TypeInfo __Pyx_TypeInfo_long = { "long", NULL, sizeof(long), { 0 }, 0, __PYX_IS_UNSIGNED(long) ? 'U' : 'I', __PYX_IS_UNSIGNED(long), 0 }; +/* #### Code section: before_global_var ### */ +#define __Pyx_MODULE_NAME "DockQ.operations" +extern int __pyx_module_is_main_DockQ__operations; +int __pyx_module_is_main_DockQ__operations = 0; + +/* Implementation of "DockQ.operations" */ +/* #### Code section: global_var ### */ +static PyObject *__pyx_builtin_range; +static PyObject *__pyx_builtin___import__; +static PyObject *__pyx_builtin_ValueError; +static PyObject *__pyx_builtin_MemoryError; +static PyObject *__pyx_builtin_enumerate; +static PyObject *__pyx_builtin_TypeError; +static PyObject *__pyx_builtin_AssertionError; +static PyObject *__pyx_builtin_Ellipsis; +static PyObject *__pyx_builtin_id; +static PyObject *__pyx_builtin_IndexError; +static PyObject *__pyx_builtin_ImportError; +/* #### Code section: string_decls ### */ +static const char __pyx_k_[] = ": "; +static const char __pyx_k_O[] = "O"; +static const char __pyx_k_c[] = "c"; +static const char __pyx_k_i[] = "i"; +static const char __pyx_k_j[] = "j"; +static const char __pyx_k_x[] = "x"; +static const char __pyx_k_y[] = "y"; +static const char __pyx_k__2[] = "."; +static const char __pyx_k__3[] = "*"; +static const char __pyx_k__6[] = "'"; +static const char __pyx_k__7[] = ")"; +static const char __pyx_k_gc[] = "gc"; +static const char __pyx_k_id[] = "id"; +static const char __pyx_k_np[] = "np"; +static const char __pyx_k__26[] = "?"; +static const char __pyx_k_abc[] = "abc"; +static const char __pyx_k_and[] = " and "; +static const char __pyx_k_got[] = " (got "; +static const char __pyx_k_new[] = "__new__"; +static const char __pyx_k_obj[] = "obj"; +static const char __pyx_k_sys[] = "sys"; +static const char __pyx_k_base[] = "base"; +static const char __pyx_k_dict[] = "__dict__"; +static const char __pyx_k_main[] = "__main__"; +static const char __pyx_k_mode[] = "mode"; +static const char __pyx_k_name[] = "name"; +static const char __pyx_k_ndim[] = "ndim"; +static const char __pyx_k_pack[] = "pack"; +static const char __pyx_k_size[] = "size"; +static const char __pyx_k_spec[] = "__spec__"; +static const char __pyx_k_step[] = "step"; +static const char __pyx_k_stop[] = "stop"; +static const char __pyx_k_test[] = "__test__"; +static const char __pyx_k_ASCII[] = "ASCII"; +static const char __pyx_k_class[] = "__class__"; +static const char __pyx_k_count[] = "count"; +static const char __pyx_k_dtype[] = "dtype"; +static const char __pyx_k_error[] = "error"; +static const char __pyx_k_flags[] = "flags"; +static const char __pyx_k_index[] = "index"; +static const char __pyx_k_min_d[] = "min_d"; +static const char __pyx_k_numpy[] = "numpy"; +static const char __pyx_k_range[] = "range"; +static const char __pyx_k_shape[] = "shape"; +static const char __pyx_k_start[] = "start"; +static const char __pyx_k_zeros[] = "zeros"; +static const char __pyx_k_enable[] = "enable"; +static const char __pyx_k_encode[] = "encode"; +static const char __pyx_k_format[] = "format"; +static const char __pyx_k_import[] = "__import__"; +static const char __pyx_k_name_2[] = "__name__"; +static const char __pyx_k_pickle[] = "pickle"; +static const char __pyx_k_reduce[] = "__reduce__"; +static const char __pyx_k_struct[] = "struct"; +static const char __pyx_k_this_d[] = "this_d"; +static const char __pyx_k_unpack[] = "unpack"; +static const char __pyx_k_update[] = "update"; +static const char __pyx_k_disable[] = "disable"; +static const char __pyx_k_float32[] = "float32"; +static const char __pyx_k_fortran[] = "fortran"; +static const char __pyx_k_i_atoms[] = "i_atoms"; +static const char __pyx_k_j_atoms[] = "j_atoms"; +static const char __pyx_k_memview[] = "memview"; +static const char __pyx_k_n_res_i[] = "n_res_i"; +static const char __pyx_k_n_res_j[] = "n_res_j"; +static const char __pyx_k_Ellipsis[] = "Ellipsis"; +static const char __pyx_k_Sequence[] = "Sequence"; +static const char __pyx_k_getstate[] = "__getstate__"; +static const char __pyx_k_itemsize[] = "itemsize"; +static const char __pyx_k_pyx_type[] = "__pyx_type"; +static const char __pyx_k_register[] = "register"; +static const char __pyx_k_setstate[] = "__setstate__"; +static const char __pyx_k_TypeError[] = "TypeError"; +static const char __pyx_k_enumerate[] = "enumerate"; +static const char __pyx_k_isenabled[] = "isenabled"; +static const char __pyx_k_pyx_state[] = "__pyx_state"; +static const char __pyx_k_reduce_ex[] = "__reduce_ex__"; +static const char __pyx_k_threshold[] = "threshold"; +static const char __pyx_k_IndexError[] = "IndexError"; +static const char __pyx_k_ValueError[] = "ValueError"; +static const char __pyx_k_pyx_result[] = "__pyx_result"; +static const char __pyx_k_pyx_vtable[] = "__pyx_vtable__"; +static const char __pyx_k_ImportError[] = "ImportError"; +static const char __pyx_k_MemoryError[] = "MemoryError"; +static const char __pyx_k_PickleError[] = "PickleError"; +static const char __pyx_k_collections[] = "collections"; +static const char __pyx_k_cum_i_atoms[] = "cum_i_atoms"; +static const char __pyx_k_cum_j_atoms[] = "cum_j_atoms"; +static const char __pyx_k_initializing[] = "_initializing"; +static const char __pyx_k_is_coroutine[] = "_is_coroutine"; +static const char __pyx_k_pyx_checksum[] = "__pyx_checksum"; +static const char __pyx_k_stringsource[] = ""; +static const char __pyx_k_version_info[] = "version_info"; +static const char __pyx_k_class_getitem[] = "__class_getitem__"; +static const char __pyx_k_reduce_cython[] = "__reduce_cython__"; +static const char __pyx_k_res_distances[] = "res_distances"; +static const char __pyx_k_AssertionError[] = "AssertionError"; +static const char __pyx_k_atoms_per_res1[] = "atoms_per_res1"; +static const char __pyx_k_atoms_per_res2[] = "atoms_per_res2"; +static const char __pyx_k_get_fnat_stats[] = "get_fnat_stats"; +static const char __pyx_k_native_shape_0[] = "native_shape_0"; +static const char __pyx_k_native_shape_1[] = "native_shape_1"; +static const char __pyx_k_View_MemoryView[] = "View.MemoryView"; +static const char __pyx_k_allocate_buffer[] = "allocate_buffer"; +static const char __pyx_k_collections_abc[] = "collections.abc"; +static const char __pyx_k_cum_i_atoms_end[] = "cum_i_atoms_end"; +static const char __pyx_k_cum_j_atoms_end[] = "cum_j_atoms_end"; +static const char __pyx_k_dtype_is_object[] = "dtype_is_object"; +static const char __pyx_k_pyx_PickleError[] = "__pyx_PickleError"; +static const char __pyx_k_setstate_cython[] = "__setstate_cython__"; +static const char __pyx_k_DockQ_operations[] = "DockQ.operations"; +static const char __pyx_k_n_model_contacts[] = "n_model_contacts"; +static const char __pyx_k_atom_coordinates1[] = "atom_coordinates1"; +static const char __pyx_k_atom_coordinates2[] = "atom_coordinates2"; +static const char __pyx_k_n_native_contacts[] = "n_native_contacts"; +static const char __pyx_k_n_shared_contacts[] = "n_shared_contacts"; +static const char __pyx_k_pyx_unpickle_Enum[] = "__pyx_unpickle_Enum"; +static const char __pyx_k_residue_distances[] = "residue_distances"; +static const char __pyx_k_threshold_squared[] = "threshold_squared"; +static const char __pyx_k_asyncio_coroutines[] = "asyncio.coroutines"; +static const char __pyx_k_cline_in_traceback[] = "cline_in_traceback"; +static const char __pyx_k_strided_and_direct[] = ""; +static const char __pyx_k_model_res_distances[] = "model_res_distances"; +static const char __pyx_k_native_res_distances[] = "native_res_distances"; +static const char __pyx_k_strided_and_indirect[] = ""; +static const char __pyx_k_Invalid_shape_in_axis[] = "Invalid shape in axis "; +static const char __pyx_k_contiguous_and_direct[] = ""; +static const char __pyx_k_n_non_native_contacts[] = "n_non_native_contacts"; +static const char __pyx_k_Cannot_index_with_type[] = "Cannot index with type '"; +static const char __pyx_k_MemoryView_of_r_object[] = ""; +static const char __pyx_k_MemoryView_of_r_at_0x_x[] = ""; +static const char __pyx_k_contiguous_and_indirect[] = ""; +static const char __pyx_k_src_DockQ_operations_pyx[] = "src\\DockQ\\operations.pyx"; +static const char __pyx_k_Dimension_d_is_not_direct[] = "Dimension %d is not direct"; +static const char __pyx_k_Index_out_of_bounds_axis_d[] = "Index out of bounds (axis %d)"; +static const char __pyx_k_Step_may_not_be_zero_axis_d[] = "Step may not be zero (axis %d)"; +static const char __pyx_k_itemsize_0_for_cython_array[] = "itemsize <= 0 for cython.array"; +static const char __pyx_k_unable_to_allocate_array_data[] = "unable to allocate array data."; +static const char __pyx_k_strided_and_direct_or_indirect[] = ""; +static const char __pyx_k_numpy_core_multiarray_failed_to[] = "numpy.core.multiarray failed to import"; +static const char __pyx_k_All_dimensions_preceding_dimensi[] = "All dimensions preceding dimension %d must be indexed and not sliced"; +static const char __pyx_k_Buffer_view_does_not_expose_stri[] = "Buffer view does not expose strides"; +static const char __pyx_k_Can_only_create_a_buffer_that_is[] = "Can only create a buffer that is contiguous in memory."; +static const char __pyx_k_Cannot_assign_to_read_only_memor[] = "Cannot assign to read-only memoryview"; +static const char __pyx_k_Cannot_create_writable_memory_vi[] = "Cannot create writable memory view from read-only memoryview"; +static const char __pyx_k_Cannot_transpose_memoryview_with[] = "Cannot transpose memoryview with indirect dimensions"; +static const char __pyx_k_Empty_shape_tuple_for_cython_arr[] = "Empty shape tuple for cython.array"; +static const char __pyx_k_Incompatible_checksums_0x_x_vs_0[] = "Incompatible checksums (0x%x vs (0x82a3537, 0x6ae9995, 0xb068931) = (name))"; +static const char __pyx_k_Indirect_dimensions_not_supporte[] = "Indirect dimensions not supported"; +static const char __pyx_k_Invalid_mode_expected_c_or_fortr[] = "Invalid mode, expected 'c' or 'fortran', got "; +static const char __pyx_k_Out_of_bounds_on_buffer_access_a[] = "Out of bounds on buffer access (axis "; +static const char __pyx_k_Unable_to_convert_item_to_object[] = "Unable to convert item to object"; +static const char __pyx_k_got_differing_extents_in_dimensi[] = "got differing extents in dimension "; +static const char __pyx_k_no_default___reduce___due_to_non[] = "no default __reduce__ due to non-trivial __cinit__"; +static const char __pyx_k_numpy_core_umath_failed_to_impor[] = "numpy.core.umath failed to import"; +static const char __pyx_k_unable_to_allocate_shape_and_str[] = "unable to allocate shape and strides."; +/* #### Code section: decls ### */ +static int __pyx_array___pyx_pf_15View_dot_MemoryView_5array___cinit__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_shape, Py_ssize_t __pyx_v_itemsize, PyObject *__pyx_v_format, PyObject *__pyx_v_mode, int __pyx_v_allocate_buffer); /* proto */ +static int __pyx_array___pyx_pf_15View_dot_MemoryView_5array_2__getbuffer__(struct __pyx_array_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ +static void __pyx_array___pyx_pf_15View_dot_MemoryView_5array_4__dealloc__(struct __pyx_array_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_5array_7memview___get__(struct __pyx_array_obj *__pyx_v_self); /* proto */ +static Py_ssize_t __pyx_array___pyx_pf_15View_dot_MemoryView_5array_6__len__(struct __pyx_array_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_array___pyx_pf_15View_dot_MemoryView_5array_8__getattr__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_attr); /* proto */ +static PyObject *__pyx_array___pyx_pf_15View_dot_MemoryView_5array_10__getitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item); /* proto */ +static int __pyx_array___pyx_pf_15View_dot_MemoryView_5array_12__setitem__(struct __pyx_array_obj *__pyx_v_self, PyObject *__pyx_v_item, PyObject *__pyx_v_value); /* proto */ +static PyObject *__pyx_pf___pyx_array___reduce_cython__(CYTHON_UNUSED struct __pyx_array_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_array_2__setstate_cython__(CYTHON_UNUSED struct __pyx_array_obj *__pyx_v_self, CYTHON_UNUSED PyObject *__pyx_v___pyx_state); /* proto */ +static int __pyx_MemviewEnum___pyx_pf_15View_dot_MemoryView_4Enum___init__(struct __pyx_MemviewEnum_obj *__pyx_v_self, PyObject *__pyx_v_name); /* proto */ +static PyObject *__pyx_MemviewEnum___pyx_pf_15View_dot_MemoryView_4Enum_2__repr__(struct __pyx_MemviewEnum_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_MemviewEnum___reduce_cython__(struct __pyx_MemviewEnum_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_MemviewEnum_2__setstate_cython__(struct __pyx_MemviewEnum_obj *__pyx_v_self, PyObject *__pyx_v___pyx_state); /* proto */ +static int __pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview___cinit__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_obj, int __pyx_v_flags, int __pyx_v_dtype_is_object); /* proto */ +static void __pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_2__dealloc__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_4__getitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index); /* proto */ +static int __pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_6__setitem__(struct __pyx_memoryview_obj *__pyx_v_self, PyObject *__pyx_v_index, PyObject *__pyx_v_value); /* proto */ +static int __pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_8__getbuffer__(struct __pyx_memoryview_obj *__pyx_v_self, Py_buffer *__pyx_v_info, int __pyx_v_flags); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_1T___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_4base___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_5shape___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_7strides___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_10suboffsets___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_4ndim___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_8itemsize___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_6nbytes___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView_10memoryview_4size___get__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static Py_ssize_t __pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_10__len__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_12__repr__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_14__str__(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_16is_c_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_18is_f_contig(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_20copy(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_memoryview___pyx_pf_15View_dot_MemoryView_10memoryview_22copy_fortran(struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_memoryview___reduce_cython__(CYTHON_UNUSED struct __pyx_memoryview_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_memoryview_2__setstate_cython__(CYTHON_UNUSED struct __pyx_memoryview_obj *__pyx_v_self, CYTHON_UNUSED PyObject *__pyx_v___pyx_state); /* proto */ +static void __pyx_memoryviewslice___pyx_pf_15View_dot_MemoryView_16_memoryviewslice___dealloc__(struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_memoryviewslice___reduce_cython__(CYTHON_UNUSED struct __pyx_memoryviewslice_obj *__pyx_v_self); /* proto */ +static PyObject *__pyx_pf___pyx_memoryviewslice_2__setstate_cython__(CYTHON_UNUSED struct __pyx_memoryviewslice_obj *__pyx_v_self, CYTHON_UNUSED PyObject *__pyx_v___pyx_state); /* proto */ +static PyObject *__pyx_pf_15View_dot_MemoryView___pyx_unpickle_Enum(CYTHON_UNUSED PyObject *__pyx_self, PyObject *__pyx_v___pyx_type, long __pyx_v___pyx_checksum, PyObject *__pyx_v___pyx_state); /* proto */ +static PyObject *__pyx_pf_5DockQ_10operations_residue_distances(CYTHON_UNUSED PyObject *__pyx_self, __Pyx_memviewslice __pyx_v_atom_coordinates1, __Pyx_memviewslice __pyx_v_atom_coordinates2, __Pyx_memviewslice __pyx_v_atoms_per_res1, __Pyx_memviewslice __pyx_v_atoms_per_res2); /* proto */ +static PyObject *__pyx_pf_5DockQ_10operations_2get_fnat_stats(CYTHON_UNUSED PyObject *__pyx_self, __Pyx_memviewslice __pyx_v_model_res_distances, __Pyx_memviewslice __pyx_v_native_res_distances, float __pyx_v_threshold); /* proto */ +static PyObject *__pyx_tp_new_array(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ +static PyObject *__pyx_tp_new_Enum(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ +static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ +static PyObject *__pyx_tp_new__memoryviewslice(PyTypeObject *t, PyObject *a, PyObject *k); /*proto*/ +/* #### Code section: late_includes ### */ +/* #### Code section: module_state ### */ +typedef struct { + PyObject *__pyx_d; + PyObject *__pyx_b; + PyObject *__pyx_cython_runtime; + PyObject *__pyx_empty_tuple; + PyObject *__pyx_empty_bytes; + PyObject *__pyx_empty_unicode; + #ifdef __Pyx_CyFunction_USED + PyTypeObject *__pyx_CyFunctionType; + #endif + #ifdef __Pyx_FusedFunction_USED + PyTypeObject *__pyx_FusedFunctionType; + #endif + #ifdef __Pyx_Generator_USED + PyTypeObject *__pyx_GeneratorType; + #endif + #ifdef __Pyx_IterableCoroutine_USED + PyTypeObject *__pyx_IterableCoroutineType; + #endif + #ifdef __Pyx_Coroutine_USED + PyTypeObject *__pyx_CoroutineAwaitType; + #endif + #ifdef __Pyx_Coroutine_USED + PyTypeObject *__pyx_CoroutineType; + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + PyTypeObject *__pyx_ptype_7cpython_4type_type; + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + PyTypeObject *__pyx_ptype_5numpy_dtype; + PyTypeObject *__pyx_ptype_5numpy_flatiter; + PyTypeObject *__pyx_ptype_5numpy_broadcast; + PyTypeObject *__pyx_ptype_5numpy_ndarray; + PyTypeObject *__pyx_ptype_5numpy_generic; + PyTypeObject *__pyx_ptype_5numpy_number; + PyTypeObject *__pyx_ptype_5numpy_integer; + PyTypeObject *__pyx_ptype_5numpy_signedinteger; + PyTypeObject *__pyx_ptype_5numpy_unsignedinteger; + PyTypeObject *__pyx_ptype_5numpy_inexact; + PyTypeObject *__pyx_ptype_5numpy_floating; + PyTypeObject *__pyx_ptype_5numpy_complexfloating; + PyTypeObject *__pyx_ptype_5numpy_flexible; + PyTypeObject *__pyx_ptype_5numpy_character; + PyTypeObject *__pyx_ptype_5numpy_ufunc; + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + #endif + #if CYTHON_USE_MODULE_STATE + PyObject *__pyx_type___pyx_array; + PyObject *__pyx_type___pyx_MemviewEnum; + PyObject *__pyx_type___pyx_memoryview; + PyObject *__pyx_type___pyx_memoryviewslice; + #endif + PyTypeObject *__pyx_array_type; + PyTypeObject *__pyx_MemviewEnum_type; + PyTypeObject *__pyx_memoryview_type; + PyTypeObject *__pyx_memoryviewslice_type; + PyObject *__pyx_kp_u_; + PyObject *__pyx_n_s_ASCII; + PyObject *__pyx_kp_s_All_dimensions_preceding_dimensi; + PyObject *__pyx_n_s_AssertionError; + PyObject *__pyx_kp_s_Buffer_view_does_not_expose_stri; + PyObject *__pyx_kp_s_Can_only_create_a_buffer_that_is; + PyObject *__pyx_kp_s_Cannot_assign_to_read_only_memor; + PyObject *__pyx_kp_s_Cannot_create_writable_memory_vi; + PyObject *__pyx_kp_u_Cannot_index_with_type; + PyObject *__pyx_kp_s_Cannot_transpose_memoryview_with; + PyObject *__pyx_kp_s_Dimension_d_is_not_direct; + PyObject *__pyx_n_s_DockQ_operations; + PyObject *__pyx_n_s_Ellipsis; + PyObject *__pyx_kp_s_Empty_shape_tuple_for_cython_arr; + PyObject *__pyx_n_s_ImportError; + PyObject *__pyx_kp_s_Incompatible_checksums_0x_x_vs_0; + PyObject *__pyx_n_s_IndexError; + PyObject *__pyx_kp_s_Index_out_of_bounds_axis_d; + PyObject *__pyx_kp_s_Indirect_dimensions_not_supporte; + PyObject *__pyx_kp_u_Invalid_mode_expected_c_or_fortr; + PyObject *__pyx_kp_u_Invalid_shape_in_axis; + PyObject *__pyx_n_s_MemoryError; + PyObject *__pyx_kp_s_MemoryView_of_r_at_0x_x; + PyObject *__pyx_kp_s_MemoryView_of_r_object; + PyObject *__pyx_n_b_O; + PyObject *__pyx_kp_u_Out_of_bounds_on_buffer_access_a; + PyObject *__pyx_n_s_PickleError; + PyObject *__pyx_n_s_Sequence; + PyObject *__pyx_kp_s_Step_may_not_be_zero_axis_d; + PyObject *__pyx_n_s_TypeError; + PyObject *__pyx_kp_s_Unable_to_convert_item_to_object; + PyObject *__pyx_n_s_ValueError; + PyObject *__pyx_n_s_View_MemoryView; + PyObject *__pyx_kp_u__2; + PyObject *__pyx_n_s__26; + PyObject *__pyx_n_s__3; + PyObject *__pyx_kp_u__6; + PyObject *__pyx_kp_u__7; + PyObject *__pyx_n_s_abc; + PyObject *__pyx_n_s_allocate_buffer; + PyObject *__pyx_kp_u_and; + PyObject *__pyx_n_s_asyncio_coroutines; + PyObject *__pyx_n_s_atom_coordinates1; + PyObject *__pyx_n_s_atom_coordinates2; + PyObject *__pyx_n_s_atoms_per_res1; + PyObject *__pyx_n_s_atoms_per_res2; + PyObject *__pyx_n_s_base; + PyObject *__pyx_n_s_c; + PyObject *__pyx_n_u_c; + PyObject *__pyx_n_s_class; + PyObject *__pyx_n_s_class_getitem; + PyObject *__pyx_n_s_cline_in_traceback; + PyObject *__pyx_n_s_collections; + PyObject *__pyx_kp_s_collections_abc; + PyObject *__pyx_kp_s_contiguous_and_direct; + PyObject *__pyx_kp_s_contiguous_and_indirect; + PyObject *__pyx_n_s_count; + PyObject *__pyx_n_s_cum_i_atoms; + PyObject *__pyx_n_s_cum_i_atoms_end; + PyObject *__pyx_n_s_cum_j_atoms; + PyObject *__pyx_n_s_cum_j_atoms_end; + PyObject *__pyx_n_s_dict; + PyObject *__pyx_kp_u_disable; + PyObject *__pyx_n_s_dtype; + PyObject *__pyx_n_s_dtype_is_object; + PyObject *__pyx_kp_u_enable; + PyObject *__pyx_n_s_encode; + PyObject *__pyx_n_s_enumerate; + PyObject *__pyx_n_s_error; + PyObject *__pyx_n_s_flags; + PyObject *__pyx_n_s_float32; + PyObject *__pyx_n_s_format; + PyObject *__pyx_n_s_fortran; + PyObject *__pyx_n_u_fortran; + PyObject *__pyx_kp_u_gc; + PyObject *__pyx_n_s_get_fnat_stats; + PyObject *__pyx_n_s_getstate; + PyObject *__pyx_kp_u_got; + PyObject *__pyx_kp_u_got_differing_extents_in_dimensi; + PyObject *__pyx_n_s_i; + PyObject *__pyx_n_s_i_atoms; + PyObject *__pyx_n_s_id; + PyObject *__pyx_n_s_import; + PyObject *__pyx_n_s_index; + PyObject *__pyx_n_s_initializing; + PyObject *__pyx_n_s_is_coroutine; + PyObject *__pyx_kp_u_isenabled; + PyObject *__pyx_n_s_itemsize; + PyObject *__pyx_kp_s_itemsize_0_for_cython_array; + PyObject *__pyx_n_s_j; + PyObject *__pyx_n_s_j_atoms; + PyObject *__pyx_n_s_main; + PyObject *__pyx_n_s_memview; + PyObject *__pyx_n_s_min_d; + PyObject *__pyx_n_s_mode; + PyObject *__pyx_n_s_model_res_distances; + PyObject *__pyx_n_s_n_model_contacts; + PyObject *__pyx_n_s_n_native_contacts; + PyObject 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*__pyx_n_s_reduce_cython; + PyObject *__pyx_n_s_reduce_ex; + PyObject *__pyx_n_s_register; + PyObject *__pyx_n_s_res_distances; + PyObject *__pyx_n_s_residue_distances; + PyObject *__pyx_n_s_setstate; + PyObject *__pyx_n_s_setstate_cython; + PyObject *__pyx_n_s_shape; + PyObject *__pyx_n_s_size; + PyObject *__pyx_n_s_spec; + PyObject *__pyx_kp_s_src_DockQ_operations_pyx; + PyObject *__pyx_n_s_start; + PyObject *__pyx_n_s_step; + PyObject *__pyx_n_s_stop; + PyObject *__pyx_kp_s_strided_and_direct; + PyObject *__pyx_kp_s_strided_and_direct_or_indirect; + PyObject *__pyx_kp_s_strided_and_indirect; + PyObject *__pyx_kp_s_stringsource; + PyObject *__pyx_n_s_struct; + PyObject *__pyx_n_s_sys; + PyObject *__pyx_n_s_test; + PyObject *__pyx_n_s_this_d; + PyObject *__pyx_n_s_threshold; + PyObject *__pyx_n_s_threshold_squared; + PyObject *__pyx_kp_s_unable_to_allocate_array_data; + PyObject *__pyx_kp_s_unable_to_allocate_shape_and_str; + PyObject *__pyx_n_s_unpack; + PyObject *__pyx_n_s_update; + PyObject *__pyx_n_s_version_info; + PyObject *__pyx_n_s_x; + PyObject *__pyx_n_s_y; + PyObject *__pyx_n_s_zeros; + PyObject *__pyx_int_0; + PyObject *__pyx_int_1; + PyObject *__pyx_int_3; + PyObject *__pyx_int_112105877; + PyObject *__pyx_int_136983863; + PyObject *__pyx_int_184977713; + PyObject *__pyx_int_neg_1; + PyObject *__pyx_slice__5; + PyObject *__pyx_tuple__4; + PyObject *__pyx_tuple__8; + PyObject *__pyx_tuple__9; + PyObject *__pyx_tuple__10; + PyObject *__pyx_tuple__11; + PyObject *__pyx_tuple__12; + PyObject *__pyx_tuple__13; + PyObject *__pyx_tuple__14; + PyObject *__pyx_tuple__15; + PyObject *__pyx_tuple__16; + PyObject *__pyx_tuple__17; + PyObject *__pyx_tuple__18; + PyObject *__pyx_tuple__19; + PyObject *__pyx_tuple__20; + PyObject *__pyx_tuple__22; + PyObject *__pyx_tuple__24; + PyObject *__pyx_codeobj__21; + PyObject *__pyx_codeobj__23; + PyObject *__pyx_codeobj__25; +} __pyx_mstate; + +#if CYTHON_USE_MODULE_STATE +#ifdef __cplusplus +namespace { + extern struct PyModuleDef __pyx_moduledef; +} /* anonymous namespace */ +#else +static struct PyModuleDef __pyx_moduledef; +#endif + +#define __pyx_mstate(o) ((__pyx_mstate *)__Pyx_PyModule_GetState(o)) + +#define __pyx_mstate_global (__pyx_mstate(PyState_FindModule(&__pyx_moduledef))) + +#define __pyx_m (PyState_FindModule(&__pyx_moduledef)) +#else +static __pyx_mstate __pyx_mstate_global_static = +#ifdef __cplusplus + {}; +#else + {0}; +#endif +static __pyx_mstate *__pyx_mstate_global = &__pyx_mstate_global_static; +#endif +/* #### Code section: module_state_clear ### */ +#if CYTHON_USE_MODULE_STATE +static int __pyx_m_clear(PyObject *m) { + __pyx_mstate *clear_module_state = __pyx_mstate(m); + if (!clear_module_state) return 0; + Py_CLEAR(clear_module_state->__pyx_d); + Py_CLEAR(clear_module_state->__pyx_b); + Py_CLEAR(clear_module_state->__pyx_cython_runtime); + Py_CLEAR(clear_module_state->__pyx_empty_tuple); + Py_CLEAR(clear_module_state->__pyx_empty_bytes); + Py_CLEAR(clear_module_state->__pyx_empty_unicode); + #ifdef __Pyx_CyFunction_USED + Py_CLEAR(clear_module_state->__pyx_CyFunctionType); + #endif + #ifdef __Pyx_FusedFunction_USED + Py_CLEAR(clear_module_state->__pyx_FusedFunctionType); + #endif + Py_CLEAR(clear_module_state->__pyx_ptype_7cpython_4type_type); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_dtype); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_flatiter); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_broadcast); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_ndarray); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_generic); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_number); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_integer); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_signedinteger); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_unsignedinteger); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_inexact); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_floating); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_complexfloating); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_flexible); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_character); + Py_CLEAR(clear_module_state->__pyx_ptype_5numpy_ufunc); + Py_CLEAR(clear_module_state->__pyx_array_type); + Py_CLEAR(clear_module_state->__pyx_type___pyx_array); + Py_CLEAR(clear_module_state->__pyx_MemviewEnum_type); + Py_CLEAR(clear_module_state->__pyx_type___pyx_MemviewEnum); + Py_CLEAR(clear_module_state->__pyx_memoryview_type); + Py_CLEAR(clear_module_state->__pyx_type___pyx_memoryview); + Py_CLEAR(clear_module_state->__pyx_memoryviewslice_type); + Py_CLEAR(clear_module_state->__pyx_type___pyx_memoryviewslice); + Py_CLEAR(clear_module_state->__pyx_kp_u_); + Py_CLEAR(clear_module_state->__pyx_n_s_ASCII); + Py_CLEAR(clear_module_state->__pyx_kp_s_All_dimensions_preceding_dimensi); + Py_CLEAR(clear_module_state->__pyx_n_s_AssertionError); + Py_CLEAR(clear_module_state->__pyx_kp_s_Buffer_view_does_not_expose_stri); + Py_CLEAR(clear_module_state->__pyx_kp_s_Can_only_create_a_buffer_that_is); + Py_CLEAR(clear_module_state->__pyx_kp_s_Cannot_assign_to_read_only_memor); + Py_CLEAR(clear_module_state->__pyx_kp_s_Cannot_create_writable_memory_vi); + Py_CLEAR(clear_module_state->__pyx_kp_u_Cannot_index_with_type); + Py_CLEAR(clear_module_state->__pyx_kp_s_Cannot_transpose_memoryview_with); + Py_CLEAR(clear_module_state->__pyx_kp_s_Dimension_d_is_not_direct); + Py_CLEAR(clear_module_state->__pyx_n_s_DockQ_operations); + Py_CLEAR(clear_module_state->__pyx_n_s_Ellipsis); + Py_CLEAR(clear_module_state->__pyx_kp_s_Empty_shape_tuple_for_cython_arr); + Py_CLEAR(clear_module_state->__pyx_n_s_ImportError); + Py_CLEAR(clear_module_state->__pyx_kp_s_Incompatible_checksums_0x_x_vs_0); + Py_CLEAR(clear_module_state->__pyx_n_s_IndexError); + Py_CLEAR(clear_module_state->__pyx_kp_s_Index_out_of_bounds_axis_d); + Py_CLEAR(clear_module_state->__pyx_kp_s_Indirect_dimensions_not_supporte); + Py_CLEAR(clear_module_state->__pyx_kp_u_Invalid_mode_expected_c_or_fortr); + Py_CLEAR(clear_module_state->__pyx_kp_u_Invalid_shape_in_axis); + Py_CLEAR(clear_module_state->__pyx_n_s_MemoryError); + Py_CLEAR(clear_module_state->__pyx_kp_s_MemoryView_of_r_at_0x_x); + Py_CLEAR(clear_module_state->__pyx_kp_s_MemoryView_of_r_object); + Py_CLEAR(clear_module_state->__pyx_n_b_O); + Py_CLEAR(clear_module_state->__pyx_kp_u_Out_of_bounds_on_buffer_access_a); + Py_CLEAR(clear_module_state->__pyx_n_s_PickleError); + Py_CLEAR(clear_module_state->__pyx_n_s_Sequence); + Py_CLEAR(clear_module_state->__pyx_kp_s_Step_may_not_be_zero_axis_d); + Py_CLEAR(clear_module_state->__pyx_n_s_TypeError); + Py_CLEAR(clear_module_state->__pyx_kp_s_Unable_to_convert_item_to_object); + Py_CLEAR(clear_module_state->__pyx_n_s_ValueError); + Py_CLEAR(clear_module_state->__pyx_n_s_View_MemoryView); + Py_CLEAR(clear_module_state->__pyx_kp_u__2); + Py_CLEAR(clear_module_state->__pyx_n_s__26); + Py_CLEAR(clear_module_state->__pyx_n_s__3); + Py_CLEAR(clear_module_state->__pyx_kp_u__6); + Py_CLEAR(clear_module_state->__pyx_kp_u__7); + Py_CLEAR(clear_module_state->__pyx_n_s_abc); + Py_CLEAR(clear_module_state->__pyx_n_s_allocate_buffer); + Py_CLEAR(clear_module_state->__pyx_kp_u_and); + Py_CLEAR(clear_module_state->__pyx_n_s_asyncio_coroutines); + Py_CLEAR(clear_module_state->__pyx_n_s_atom_coordinates1); + Py_CLEAR(clear_module_state->__pyx_n_s_atom_coordinates2); + Py_CLEAR(clear_module_state->__pyx_n_s_atoms_per_res1); + Py_CLEAR(clear_module_state->__pyx_n_s_atoms_per_res2); + Py_CLEAR(clear_module_state->__pyx_n_s_base); + Py_CLEAR(clear_module_state->__pyx_n_s_c); + Py_CLEAR(clear_module_state->__pyx_n_u_c); + Py_CLEAR(clear_module_state->__pyx_n_s_class); + Py_CLEAR(clear_module_state->__pyx_n_s_class_getitem); + Py_CLEAR(clear_module_state->__pyx_n_s_cline_in_traceback); + Py_CLEAR(clear_module_state->__pyx_n_s_collections); + Py_CLEAR(clear_module_state->__pyx_kp_s_collections_abc); + Py_CLEAR(clear_module_state->__pyx_kp_s_contiguous_and_direct); + Py_CLEAR(clear_module_state->__pyx_kp_s_contiguous_and_indirect); + Py_CLEAR(clear_module_state->__pyx_n_s_count); + Py_CLEAR(clear_module_state->__pyx_n_s_cum_i_atoms); + Py_CLEAR(clear_module_state->__pyx_n_s_cum_i_atoms_end); + Py_CLEAR(clear_module_state->__pyx_n_s_cum_j_atoms); + Py_CLEAR(clear_module_state->__pyx_n_s_cum_j_atoms_end); + Py_CLEAR(clear_module_state->__pyx_n_s_dict); + Py_CLEAR(clear_module_state->__pyx_kp_u_disable); + Py_CLEAR(clear_module_state->__pyx_n_s_dtype); + Py_CLEAR(clear_module_state->__pyx_n_s_dtype_is_object); + Py_CLEAR(clear_module_state->__pyx_kp_u_enable); + Py_CLEAR(clear_module_state->__pyx_n_s_encode); + Py_CLEAR(clear_module_state->__pyx_n_s_enumerate); + Py_CLEAR(clear_module_state->__pyx_n_s_error); + Py_CLEAR(clear_module_state->__pyx_n_s_flags); + Py_CLEAR(clear_module_state->__pyx_n_s_float32); + Py_CLEAR(clear_module_state->__pyx_n_s_format); + Py_CLEAR(clear_module_state->__pyx_n_s_fortran); + Py_CLEAR(clear_module_state->__pyx_n_u_fortran); + Py_CLEAR(clear_module_state->__pyx_kp_u_gc); + Py_CLEAR(clear_module_state->__pyx_n_s_get_fnat_stats); + Py_CLEAR(clear_module_state->__pyx_n_s_getstate); + Py_CLEAR(clear_module_state->__pyx_kp_u_got); + Py_CLEAR(clear_module_state->__pyx_kp_u_got_differing_extents_in_dimensi); + Py_CLEAR(clear_module_state->__pyx_n_s_i); + Py_CLEAR(clear_module_state->__pyx_n_s_i_atoms); + Py_CLEAR(clear_module_state->__pyx_n_s_id); + Py_CLEAR(clear_module_state->__pyx_n_s_import); + Py_CLEAR(clear_module_state->__pyx_n_s_index); + Py_CLEAR(clear_module_state->__pyx_n_s_initializing); + Py_CLEAR(clear_module_state->__pyx_n_s_is_coroutine); + Py_CLEAR(clear_module_state->__pyx_kp_u_isenabled); + Py_CLEAR(clear_module_state->__pyx_n_s_itemsize); + Py_CLEAR(clear_module_state->__pyx_kp_s_itemsize_0_for_cython_array); + Py_CLEAR(clear_module_state->__pyx_n_s_j); + Py_CLEAR(clear_module_state->__pyx_n_s_j_atoms); + Py_CLEAR(clear_module_state->__pyx_n_s_main); + Py_CLEAR(clear_module_state->__pyx_n_s_memview); + Py_CLEAR(clear_module_state->__pyx_n_s_min_d); + Py_CLEAR(clear_module_state->__pyx_n_s_mode); + Py_CLEAR(clear_module_state->__pyx_n_s_model_res_distances); + Py_CLEAR(clear_module_state->__pyx_n_s_n_model_contacts); + Py_CLEAR(clear_module_state->__pyx_n_s_n_native_contacts); + Py_CLEAR(clear_module_state->__pyx_n_s_n_non_native_contacts); + Py_CLEAR(clear_module_state->__pyx_n_s_n_res_i); + Py_CLEAR(clear_module_state->__pyx_n_s_n_res_j); + Py_CLEAR(clear_module_state->__pyx_n_s_n_shared_contacts); + Py_CLEAR(clear_module_state->__pyx_n_s_name); + Py_CLEAR(clear_module_state->__pyx_n_s_name_2); + Py_CLEAR(clear_module_state->__pyx_n_s_native_res_distances); + Py_CLEAR(clear_module_state->__pyx_n_s_native_shape_0); + Py_CLEAR(clear_module_state->__pyx_n_s_native_shape_1); + Py_CLEAR(clear_module_state->__pyx_n_s_ndim); + Py_CLEAR(clear_module_state->__pyx_n_s_new); + Py_CLEAR(clear_module_state->__pyx_kp_s_no_default___reduce___due_to_non); + Py_CLEAR(clear_module_state->__pyx_n_s_np); + Py_CLEAR(clear_module_state->__pyx_n_s_numpy); + Py_CLEAR(clear_module_state->__pyx_kp_u_numpy_core_multiarray_failed_to); + Py_CLEAR(clear_module_state->__pyx_kp_u_numpy_core_umath_failed_to_impor); + Py_CLEAR(clear_module_state->__pyx_n_s_obj); + Py_CLEAR(clear_module_state->__pyx_n_s_pack); + Py_CLEAR(clear_module_state->__pyx_n_s_pickle); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_PickleError); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_checksum); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_result); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_state); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_type); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_unpickle_Enum); + Py_CLEAR(clear_module_state->__pyx_n_s_pyx_vtable); + Py_CLEAR(clear_module_state->__pyx_n_s_range); + Py_CLEAR(clear_module_state->__pyx_n_s_reduce); + Py_CLEAR(clear_module_state->__pyx_n_s_reduce_cython); + Py_CLEAR(clear_module_state->__pyx_n_s_reduce_ex); + Py_CLEAR(clear_module_state->__pyx_n_s_register); + Py_CLEAR(clear_module_state->__pyx_n_s_res_distances); + Py_CLEAR(clear_module_state->__pyx_n_s_residue_distances); + Py_CLEAR(clear_module_state->__pyx_n_s_setstate); + Py_CLEAR(clear_module_state->__pyx_n_s_setstate_cython); + Py_CLEAR(clear_module_state->__pyx_n_s_shape); + Py_CLEAR(clear_module_state->__pyx_n_s_size); + Py_CLEAR(clear_module_state->__pyx_n_s_spec); + Py_CLEAR(clear_module_state->__pyx_kp_s_src_DockQ_operations_pyx); + Py_CLEAR(clear_module_state->__pyx_n_s_start); + Py_CLEAR(clear_module_state->__pyx_n_s_step); + Py_CLEAR(clear_module_state->__pyx_n_s_stop); + Py_CLEAR(clear_module_state->__pyx_kp_s_strided_and_direct); + Py_CLEAR(clear_module_state->__pyx_kp_s_strided_and_direct_or_indirect); + Py_CLEAR(clear_module_state->__pyx_kp_s_strided_and_indirect); + Py_CLEAR(clear_module_state->__pyx_kp_s_stringsource); + Py_CLEAR(clear_module_state->__pyx_n_s_struct); + Py_CLEAR(clear_module_state->__pyx_n_s_sys); + Py_CLEAR(clear_module_state->__pyx_n_s_test); + Py_CLEAR(clear_module_state->__pyx_n_s_this_d); + Py_CLEAR(clear_module_state->__pyx_n_s_threshold); + Py_CLEAR(clear_module_state->__pyx_n_s_threshold_squared); + Py_CLEAR(clear_module_state->__pyx_kp_s_unable_to_allocate_array_data); + Py_CLEAR(clear_module_state->__pyx_kp_s_unable_to_allocate_shape_and_str); + Py_CLEAR(clear_module_state->__pyx_n_s_unpack); + Py_CLEAR(clear_module_state->__pyx_n_s_update); + Py_CLEAR(clear_module_state->__pyx_n_s_version_info); + Py_CLEAR(clear_module_state->__pyx_n_s_x); + Py_CLEAR(clear_module_state->__pyx_n_s_y); + Py_CLEAR(clear_module_state->__pyx_n_s_zeros); + Py_CLEAR(clear_module_state->__pyx_int_0); + Py_CLEAR(clear_module_state->__pyx_int_1); + Py_CLEAR(clear_module_state->__pyx_int_3); + Py_CLEAR(clear_module_state->__pyx_int_112105877); + Py_CLEAR(clear_module_state->__pyx_int_136983863); + Py_CLEAR(clear_module_state->__pyx_int_184977713); + Py_CLEAR(clear_module_state->__pyx_int_neg_1); + Py_CLEAR(clear_module_state->__pyx_slice__5); + Py_CLEAR(clear_module_state->__pyx_tuple__4); + Py_CLEAR(clear_module_state->__pyx_tuple__8); + Py_CLEAR(clear_module_state->__pyx_tuple__9); + Py_CLEAR(clear_module_state->__pyx_tuple__10); + Py_CLEAR(clear_module_state->__pyx_tuple__11); + Py_CLEAR(clear_module_state->__pyx_tuple__12); + Py_CLEAR(clear_module_state->__pyx_tuple__13); + Py_CLEAR(clear_module_state->__pyx_tuple__14); + Py_CLEAR(clear_module_state->__pyx_tuple__15); + Py_CLEAR(clear_module_state->__pyx_tuple__16); + Py_CLEAR(clear_module_state->__pyx_tuple__17); + Py_CLEAR(clear_module_state->__pyx_tuple__18); + Py_CLEAR(clear_module_state->__pyx_tuple__19); + Py_CLEAR(clear_module_state->__pyx_tuple__20); + Py_CLEAR(clear_module_state->__pyx_tuple__22); + Py_CLEAR(clear_module_state->__pyx_tuple__24); + Py_CLEAR(clear_module_state->__pyx_codeobj__21); + Py_CLEAR(clear_module_state->__pyx_codeobj__23); + Py_CLEAR(clear_module_state->__pyx_codeobj__25); + return 0; +} +#endif +/* #### Code section: module_state_traverse ### */ +#if CYTHON_USE_MODULE_STATE +static int __pyx_m_traverse(PyObject *m, visitproc visit, void *arg) { + __pyx_mstate *traverse_module_state = __pyx_mstate(m); + if (!traverse_module_state) return 0; + Py_VISIT(traverse_module_state->__pyx_d); + Py_VISIT(traverse_module_state->__pyx_b); + Py_VISIT(traverse_module_state->__pyx_cython_runtime); + Py_VISIT(traverse_module_state->__pyx_empty_tuple); + Py_VISIT(traverse_module_state->__pyx_empty_bytes); + Py_VISIT(traverse_module_state->__pyx_empty_unicode); + #ifdef __Pyx_CyFunction_USED + Py_VISIT(traverse_module_state->__pyx_CyFunctionType); + #endif + #ifdef __Pyx_FusedFunction_USED + 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Py_VISIT(traverse_module_state->__pyx_ptype_5numpy_character); + Py_VISIT(traverse_module_state->__pyx_ptype_5numpy_ufunc); + Py_VISIT(traverse_module_state->__pyx_array_type); + Py_VISIT(traverse_module_state->__pyx_type___pyx_array); + Py_VISIT(traverse_module_state->__pyx_MemviewEnum_type); + Py_VISIT(traverse_module_state->__pyx_type___pyx_MemviewEnum); + Py_VISIT(traverse_module_state->__pyx_memoryview_type); + Py_VISIT(traverse_module_state->__pyx_type___pyx_memoryview); + Py_VISIT(traverse_module_state->__pyx_memoryviewslice_type); + Py_VISIT(traverse_module_state->__pyx_type___pyx_memoryviewslice); + Py_VISIT(traverse_module_state->__pyx_kp_u_); + Py_VISIT(traverse_module_state->__pyx_n_s_ASCII); + Py_VISIT(traverse_module_state->__pyx_kp_s_All_dimensions_preceding_dimensi); + Py_VISIT(traverse_module_state->__pyx_n_s_AssertionError); + Py_VISIT(traverse_module_state->__pyx_kp_s_Buffer_view_does_not_expose_stri); + Py_VISIT(traverse_module_state->__pyx_kp_s_Can_only_create_a_buffer_that_is); + Py_VISIT(traverse_module_state->__pyx_kp_s_Cannot_assign_to_read_only_memor); + Py_VISIT(traverse_module_state->__pyx_kp_s_Cannot_create_writable_memory_vi); + Py_VISIT(traverse_module_state->__pyx_kp_u_Cannot_index_with_type); + Py_VISIT(traverse_module_state->__pyx_kp_s_Cannot_transpose_memoryview_with); + Py_VISIT(traverse_module_state->__pyx_kp_s_Dimension_d_is_not_direct); + Py_VISIT(traverse_module_state->__pyx_n_s_DockQ_operations); + Py_VISIT(traverse_module_state->__pyx_n_s_Ellipsis); + Py_VISIT(traverse_module_state->__pyx_kp_s_Empty_shape_tuple_for_cython_arr); + Py_VISIT(traverse_module_state->__pyx_n_s_ImportError); + Py_VISIT(traverse_module_state->__pyx_kp_s_Incompatible_checksums_0x_x_vs_0); + Py_VISIT(traverse_module_state->__pyx_n_s_IndexError); + Py_VISIT(traverse_module_state->__pyx_kp_s_Index_out_of_bounds_axis_d); + Py_VISIT(traverse_module_state->__pyx_kp_s_Indirect_dimensions_not_supporte); + Py_VISIT(traverse_module_state->__pyx_kp_u_Invalid_mode_expected_c_or_fortr); + Py_VISIT(traverse_module_state->__pyx_kp_u_Invalid_shape_in_axis); + Py_VISIT(traverse_module_state->__pyx_n_s_MemoryError); + Py_VISIT(traverse_module_state->__pyx_kp_s_MemoryView_of_r_at_0x_x); + Py_VISIT(traverse_module_state->__pyx_kp_s_MemoryView_of_r_object); + Py_VISIT(traverse_module_state->__pyx_n_b_O); + Py_VISIT(traverse_module_state->__pyx_kp_u_Out_of_bounds_on_buffer_access_a); + Py_VISIT(traverse_module_state->__pyx_n_s_PickleError); + Py_VISIT(traverse_module_state->__pyx_n_s_Sequence); + Py_VISIT(traverse_module_state->__pyx_kp_s_Step_may_not_be_zero_axis_d); + Py_VISIT(traverse_module_state->__pyx_n_s_TypeError); + Py_VISIT(traverse_module_state->__pyx_kp_s_Unable_to_convert_item_to_object); + Py_VISIT(traverse_module_state->__pyx_n_s_ValueError); + Py_VISIT(traverse_module_state->__pyx_n_s_View_MemoryView); + Py_VISIT(traverse_module_state->__pyx_kp_u__2); + Py_VISIT(traverse_module_state->__pyx_n_s__26); + Py_VISIT(traverse_module_state->__pyx_n_s__3); + Py_VISIT(traverse_module_state->__pyx_kp_u__6); + Py_VISIT(traverse_module_state->__pyx_kp_u__7); + Py_VISIT(traverse_module_state->__pyx_n_s_abc); + Py_VISIT(traverse_module_state->__pyx_n_s_allocate_buffer); + Py_VISIT(traverse_module_state->__pyx_kp_u_and); + Py_VISIT(traverse_module_state->__pyx_n_s_asyncio_coroutines); + Py_VISIT(traverse_module_state->__pyx_n_s_atom_coordinates1); + Py_VISIT(traverse_module_state->__pyx_n_s_atom_coordinates2); + Py_VISIT(traverse_module_state->__pyx_n_s_atoms_per_res1); + Py_VISIT(traverse_module_state->__pyx_n_s_atoms_per_res2); + Py_VISIT(traverse_module_state->__pyx_n_s_base); + Py_VISIT(traverse_module_state->__pyx_n_s_c); + Py_VISIT(traverse_module_state->__pyx_n_u_c); + Py_VISIT(traverse_module_state->__pyx_n_s_class); + Py_VISIT(traverse_module_state->__pyx_n_s_class_getitem); + Py_VISIT(traverse_module_state->__pyx_n_s_cline_in_traceback); + Py_VISIT(traverse_module_state->__pyx_n_s_collections); + Py_VISIT(traverse_module_state->__pyx_kp_s_collections_abc); + Py_VISIT(traverse_module_state->__pyx_kp_s_contiguous_and_direct); + Py_VISIT(traverse_module_state->__pyx_kp_s_contiguous_and_indirect); + Py_VISIT(traverse_module_state->__pyx_n_s_count); + Py_VISIT(traverse_module_state->__pyx_n_s_cum_i_atoms); + Py_VISIT(traverse_module_state->__pyx_n_s_cum_i_atoms_end); + Py_VISIT(traverse_module_state->__pyx_n_s_cum_j_atoms); + Py_VISIT(traverse_module_state->__pyx_n_s_cum_j_atoms_end); + Py_VISIT(traverse_module_state->__pyx_n_s_dict); + Py_VISIT(traverse_module_state->__pyx_kp_u_disable); + Py_VISIT(traverse_module_state->__pyx_n_s_dtype); + Py_VISIT(traverse_module_state->__pyx_n_s_dtype_is_object); + Py_VISIT(traverse_module_state->__pyx_kp_u_enable); + Py_VISIT(traverse_module_state->__pyx_n_s_encode); + Py_VISIT(traverse_module_state->__pyx_n_s_enumerate); + Py_VISIT(traverse_module_state->__pyx_n_s_error); + Py_VISIT(traverse_module_state->__pyx_n_s_flags); + Py_VISIT(traverse_module_state->__pyx_n_s_float32); + Py_VISIT(traverse_module_state->__pyx_n_s_format); + Py_VISIT(traverse_module_state->__pyx_n_s_fortran); + Py_VISIT(traverse_module_state->__pyx_n_u_fortran); + Py_VISIT(traverse_module_state->__pyx_kp_u_gc); + Py_VISIT(traverse_module_state->__pyx_n_s_get_fnat_stats); + Py_VISIT(traverse_module_state->__pyx_n_s_getstate); + Py_VISIT(traverse_module_state->__pyx_kp_u_got); + Py_VISIT(traverse_module_state->__pyx_kp_u_got_differing_extents_in_dimensi); + Py_VISIT(traverse_module_state->__pyx_n_s_i); + Py_VISIT(traverse_module_state->__pyx_n_s_i_atoms); + Py_VISIT(traverse_module_state->__pyx_n_s_id); + Py_VISIT(traverse_module_state->__pyx_n_s_import); + Py_VISIT(traverse_module_state->__pyx_n_s_index); + Py_VISIT(traverse_module_state->__pyx_n_s_initializing); + Py_VISIT(traverse_module_state->__pyx_n_s_is_coroutine); + Py_VISIT(traverse_module_state->__pyx_kp_u_isenabled); + Py_VISIT(traverse_module_state->__pyx_n_s_itemsize); + Py_VISIT(traverse_module_state->__pyx_kp_s_itemsize_0_for_cython_array); + Py_VISIT(traverse_module_state->__pyx_n_s_j); + Py_VISIT(traverse_module_state->__pyx_n_s_j_atoms); + Py_VISIT(traverse_module_state->__pyx_n_s_main); + Py_VISIT(traverse_module_state->__pyx_n_s_memview); + Py_VISIT(traverse_module_state->__pyx_n_s_min_d); + Py_VISIT(traverse_module_state->__pyx_n_s_mode); + Py_VISIT(traverse_module_state->__pyx_n_s_model_res_distances); + Py_VISIT(traverse_module_state->__pyx_n_s_n_model_contacts); + Py_VISIT(traverse_module_state->__pyx_n_s_n_native_contacts); + Py_VISIT(traverse_module_state->__pyx_n_s_n_non_native_contacts); + Py_VISIT(traverse_module_state->__pyx_n_s_n_res_i); + Py_VISIT(traverse_module_state->__pyx_n_s_n_res_j); + Py_VISIT(traverse_module_state->__pyx_n_s_n_shared_contacts); + Py_VISIT(traverse_module_state->__pyx_n_s_name); + Py_VISIT(traverse_module_state->__pyx_n_s_name_2); + Py_VISIT(traverse_module_state->__pyx_n_s_native_res_distances); + Py_VISIT(traverse_module_state->__pyx_n_s_native_shape_0); + Py_VISIT(traverse_module_state->__pyx_n_s_native_shape_1); + Py_VISIT(traverse_module_state->__pyx_n_s_ndim); + Py_VISIT(traverse_module_state->__pyx_n_s_new); + Py_VISIT(traverse_module_state->__pyx_kp_s_no_default___reduce___due_to_non); + Py_VISIT(traverse_module_state->__pyx_n_s_np); + Py_VISIT(traverse_module_state->__pyx_n_s_numpy); + Py_VISIT(traverse_module_state->__pyx_kp_u_numpy_core_multiarray_failed_to); + Py_VISIT(traverse_module_state->__pyx_kp_u_numpy_core_umath_failed_to_impor); + Py_VISIT(traverse_module_state->__pyx_n_s_obj); + Py_VISIT(traverse_module_state->__pyx_n_s_pack); + Py_VISIT(traverse_module_state->__pyx_n_s_pickle); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_PickleError); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_checksum); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_result); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_state); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_type); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_unpickle_Enum); + Py_VISIT(traverse_module_state->__pyx_n_s_pyx_vtable); + Py_VISIT(traverse_module_state->__pyx_n_s_range); + Py_VISIT(traverse_module_state->__pyx_n_s_reduce); + Py_VISIT(traverse_module_state->__pyx_n_s_reduce_cython); + Py_VISIT(traverse_module_state->__pyx_n_s_reduce_ex); + Py_VISIT(traverse_module_state->__pyx_n_s_register); + Py_VISIT(traverse_module_state->__pyx_n_s_res_distances); + Py_VISIT(traverse_module_state->__pyx_n_s_residue_distances); + Py_VISIT(traverse_module_state->__pyx_n_s_setstate); + Py_VISIT(traverse_module_state->__pyx_n_s_setstate_cython); + Py_VISIT(traverse_module_state->__pyx_n_s_shape); + Py_VISIT(traverse_module_state->__pyx_n_s_size); + Py_VISIT(traverse_module_state->__pyx_n_s_spec); + Py_VISIT(traverse_module_state->__pyx_kp_s_src_DockQ_operations_pyx); + Py_VISIT(traverse_module_state->__pyx_n_s_start); + Py_VISIT(traverse_module_state->__pyx_n_s_step); + Py_VISIT(traverse_module_state->__pyx_n_s_stop); + Py_VISIT(traverse_module_state->__pyx_kp_s_strided_and_direct); + Py_VISIT(traverse_module_state->__pyx_kp_s_strided_and_direct_or_indirect); + Py_VISIT(traverse_module_state->__pyx_kp_s_strided_and_indirect); + Py_VISIT(traverse_module_state->__pyx_kp_s_stringsource); + Py_VISIT(traverse_module_state->__pyx_n_s_struct); + Py_VISIT(traverse_module_state->__pyx_n_s_sys); + Py_VISIT(traverse_module_state->__pyx_n_s_test); + Py_VISIT(traverse_module_state->__pyx_n_s_this_d); + Py_VISIT(traverse_module_state->__pyx_n_s_threshold); + Py_VISIT(traverse_module_state->__pyx_n_s_threshold_squared); + Py_VISIT(traverse_module_state->__pyx_kp_s_unable_to_allocate_array_data); + Py_VISIT(traverse_module_state->__pyx_kp_s_unable_to_allocate_shape_and_str); + Py_VISIT(traverse_module_state->__pyx_n_s_unpack); + Py_VISIT(traverse_module_state->__pyx_n_s_update); + Py_VISIT(traverse_module_state->__pyx_n_s_version_info); + Py_VISIT(traverse_module_state->__pyx_n_s_x); + Py_VISIT(traverse_module_state->__pyx_n_s_y); + Py_VISIT(traverse_module_state->__pyx_n_s_zeros); + Py_VISIT(traverse_module_state->__pyx_int_0); + Py_VISIT(traverse_module_state->__pyx_int_1); + Py_VISIT(traverse_module_state->__pyx_int_3); + Py_VISIT(traverse_module_state->__pyx_int_112105877); + Py_VISIT(traverse_module_state->__pyx_int_136983863); + Py_VISIT(traverse_module_state->__pyx_int_184977713); + Py_VISIT(traverse_module_state->__pyx_int_neg_1); + Py_VISIT(traverse_module_state->__pyx_slice__5); + Py_VISIT(traverse_module_state->__pyx_tuple__4); + Py_VISIT(traverse_module_state->__pyx_tuple__8); + Py_VISIT(traverse_module_state->__pyx_tuple__9); + Py_VISIT(traverse_module_state->__pyx_tuple__10); + Py_VISIT(traverse_module_state->__pyx_tuple__11); + Py_VISIT(traverse_module_state->__pyx_tuple__12); + Py_VISIT(traverse_module_state->__pyx_tuple__13); + Py_VISIT(traverse_module_state->__pyx_tuple__14); + Py_VISIT(traverse_module_state->__pyx_tuple__15); + Py_VISIT(traverse_module_state->__pyx_tuple__16); + Py_VISIT(traverse_module_state->__pyx_tuple__17); + Py_VISIT(traverse_module_state->__pyx_tuple__18); + Py_VISIT(traverse_module_state->__pyx_tuple__19); + Py_VISIT(traverse_module_state->__pyx_tuple__20); + Py_VISIT(traverse_module_state->__pyx_tuple__22); + Py_VISIT(traverse_module_state->__pyx_tuple__24); + Py_VISIT(traverse_module_state->__pyx_codeobj__21); + Py_VISIT(traverse_module_state->__pyx_codeobj__23); + Py_VISIT(traverse_module_state->__pyx_codeobj__25); + return 0; +} +#endif +/* #### Code section: module_state_defines ### */ +#define __pyx_d __pyx_mstate_global->__pyx_d +#define __pyx_b __pyx_mstate_global->__pyx_b +#define __pyx_cython_runtime __pyx_mstate_global->__pyx_cython_runtime +#define __pyx_empty_tuple __pyx_mstate_global->__pyx_empty_tuple +#define __pyx_empty_bytes __pyx_mstate_global->__pyx_empty_bytes +#define __pyx_empty_unicode __pyx_mstate_global->__pyx_empty_unicode +#ifdef __Pyx_CyFunction_USED +#define __pyx_CyFunctionType __pyx_mstate_global->__pyx_CyFunctionType +#endif +#ifdef __Pyx_FusedFunction_USED +#define __pyx_FusedFunctionType __pyx_mstate_global->__pyx_FusedFunctionType +#endif +#ifdef __Pyx_Generator_USED +#define __pyx_GeneratorType __pyx_mstate_global->__pyx_GeneratorType +#endif +#ifdef __Pyx_IterableCoroutine_USED +#define __pyx_IterableCoroutineType __pyx_mstate_global->__pyx_IterableCoroutineType +#endif +#ifdef __Pyx_Coroutine_USED +#define __pyx_CoroutineAwaitType __pyx_mstate_global->__pyx_CoroutineAwaitType +#endif +#ifdef __Pyx_Coroutine_USED +#define __pyx_CoroutineType __pyx_mstate_global->__pyx_CoroutineType +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#define __pyx_ptype_7cpython_4type_type __pyx_mstate_global->__pyx_ptype_7cpython_4type_type +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#define __pyx_ptype_5numpy_dtype __pyx_mstate_global->__pyx_ptype_5numpy_dtype +#define __pyx_ptype_5numpy_flatiter __pyx_mstate_global->__pyx_ptype_5numpy_flatiter +#define __pyx_ptype_5numpy_broadcast __pyx_mstate_global->__pyx_ptype_5numpy_broadcast +#define __pyx_ptype_5numpy_ndarray __pyx_mstate_global->__pyx_ptype_5numpy_ndarray +#define __pyx_ptype_5numpy_generic __pyx_mstate_global->__pyx_ptype_5numpy_generic +#define __pyx_ptype_5numpy_number __pyx_mstate_global->__pyx_ptype_5numpy_number +#define __pyx_ptype_5numpy_integer __pyx_mstate_global->__pyx_ptype_5numpy_integer +#define __pyx_ptype_5numpy_signedinteger __pyx_mstate_global->__pyx_ptype_5numpy_signedinteger +#define __pyx_ptype_5numpy_unsignedinteger __pyx_mstate_global->__pyx_ptype_5numpy_unsignedinteger +#define __pyx_ptype_5numpy_inexact __pyx_mstate_global->__pyx_ptype_5numpy_inexact +#define __pyx_ptype_5numpy_floating __pyx_mstate_global->__pyx_ptype_5numpy_floating +#define __pyx_ptype_5numpy_complexfloating __pyx_mstate_global->__pyx_ptype_5numpy_complexfloating +#define __pyx_ptype_5numpy_flexible __pyx_mstate_global->__pyx_ptype_5numpy_flexible +#define __pyx_ptype_5numpy_character __pyx_mstate_global->__pyx_ptype_5numpy_character +#define __pyx_ptype_5numpy_ufunc __pyx_mstate_global->__pyx_ptype_5numpy_ufunc +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#endif +#if CYTHON_USE_MODULE_STATE +#define __pyx_type___pyx_array __pyx_mstate_global->__pyx_type___pyx_array +#define __pyx_type___pyx_MemviewEnum __pyx_mstate_global->__pyx_type___pyx_MemviewEnum +#define __pyx_type___pyx_memoryview __pyx_mstate_global->__pyx_type___pyx_memoryview +#define __pyx_type___pyx_memoryviewslice __pyx_mstate_global->__pyx_type___pyx_memoryviewslice +#endif +#define __pyx_array_type __pyx_mstate_global->__pyx_array_type +#define __pyx_MemviewEnum_type __pyx_mstate_global->__pyx_MemviewEnum_type +#define __pyx_memoryview_type __pyx_mstate_global->__pyx_memoryview_type +#define __pyx_memoryviewslice_type __pyx_mstate_global->__pyx_memoryviewslice_type +#define __pyx_kp_u_ __pyx_mstate_global->__pyx_kp_u_ +#define __pyx_n_s_ASCII __pyx_mstate_global->__pyx_n_s_ASCII +#define __pyx_kp_s_All_dimensions_preceding_dimensi __pyx_mstate_global->__pyx_kp_s_All_dimensions_preceding_dimensi +#define __pyx_n_s_AssertionError __pyx_mstate_global->__pyx_n_s_AssertionError +#define __pyx_kp_s_Buffer_view_does_not_expose_stri __pyx_mstate_global->__pyx_kp_s_Buffer_view_does_not_expose_stri +#define __pyx_kp_s_Can_only_create_a_buffer_that_is __pyx_mstate_global->__pyx_kp_s_Can_only_create_a_buffer_that_is +#define __pyx_kp_s_Cannot_assign_to_read_only_memor __pyx_mstate_global->__pyx_kp_s_Cannot_assign_to_read_only_memor +#define __pyx_kp_s_Cannot_create_writable_memory_vi __pyx_mstate_global->__pyx_kp_s_Cannot_create_writable_memory_vi +#define __pyx_kp_u_Cannot_index_with_type __pyx_mstate_global->__pyx_kp_u_Cannot_index_with_type +#define __pyx_kp_s_Cannot_transpose_memoryview_with __pyx_mstate_global->__pyx_kp_s_Cannot_transpose_memoryview_with +#define __pyx_kp_s_Dimension_d_is_not_direct __pyx_mstate_global->__pyx_kp_s_Dimension_d_is_not_direct +#define __pyx_n_s_DockQ_operations __pyx_mstate_global->__pyx_n_s_DockQ_operations +#define __pyx_n_s_Ellipsis __pyx_mstate_global->__pyx_n_s_Ellipsis +#define __pyx_kp_s_Empty_shape_tuple_for_cython_arr __pyx_mstate_global->__pyx_kp_s_Empty_shape_tuple_for_cython_arr +#define __pyx_n_s_ImportError __pyx_mstate_global->__pyx_n_s_ImportError +#define __pyx_kp_s_Incompatible_checksums_0x_x_vs_0 __pyx_mstate_global->__pyx_kp_s_Incompatible_checksums_0x_x_vs_0 +#define __pyx_n_s_IndexError __pyx_mstate_global->__pyx_n_s_IndexError +#define __pyx_kp_s_Index_out_of_bounds_axis_d __pyx_mstate_global->__pyx_kp_s_Index_out_of_bounds_axis_d +#define __pyx_kp_s_Indirect_dimensions_not_supporte __pyx_mstate_global->__pyx_kp_s_Indirect_dimensions_not_supporte +#define __pyx_kp_u_Invalid_mode_expected_c_or_fortr __pyx_mstate_global->__pyx_kp_u_Invalid_mode_expected_c_or_fortr +#define __pyx_kp_u_Invalid_shape_in_axis __pyx_mstate_global->__pyx_kp_u_Invalid_shape_in_axis +#define __pyx_n_s_MemoryError __pyx_mstate_global->__pyx_n_s_MemoryError +#define __pyx_kp_s_MemoryView_of_r_at_0x_x __pyx_mstate_global->__pyx_kp_s_MemoryView_of_r_at_0x_x +#define __pyx_kp_s_MemoryView_of_r_object __pyx_mstate_global->__pyx_kp_s_MemoryView_of_r_object +#define __pyx_n_b_O __pyx_mstate_global->__pyx_n_b_O +#define __pyx_kp_u_Out_of_bounds_on_buffer_access_a __pyx_mstate_global->__pyx_kp_u_Out_of_bounds_on_buffer_access_a +#define __pyx_n_s_PickleError __pyx_mstate_global->__pyx_n_s_PickleError +#define __pyx_n_s_Sequence __pyx_mstate_global->__pyx_n_s_Sequence +#define __pyx_kp_s_Step_may_not_be_zero_axis_d __pyx_mstate_global->__pyx_kp_s_Step_may_not_be_zero_axis_d +#define __pyx_n_s_TypeError __pyx_mstate_global->__pyx_n_s_TypeError +#define __pyx_kp_s_Unable_to_convert_item_to_object __pyx_mstate_global->__pyx_kp_s_Unable_to_convert_item_to_object +#define __pyx_n_s_ValueError __pyx_mstate_global->__pyx_n_s_ValueError +#define __pyx_n_s_View_MemoryView __pyx_mstate_global->__pyx_n_s_View_MemoryView +#define __pyx_kp_u__2 __pyx_mstate_global->__pyx_kp_u__2 +#define __pyx_n_s__26 __pyx_mstate_global->__pyx_n_s__26 +#define __pyx_n_s__3 __pyx_mstate_global->__pyx_n_s__3 +#define __pyx_kp_u__6 __pyx_mstate_global->__pyx_kp_u__6 +#define __pyx_kp_u__7 __pyx_mstate_global->__pyx_kp_u__7 +#define __pyx_n_s_abc __pyx_mstate_global->__pyx_n_s_abc +#define __pyx_n_s_allocate_buffer __pyx_mstate_global->__pyx_n_s_allocate_buffer +#define __pyx_kp_u_and __pyx_mstate_global->__pyx_kp_u_and +#define __pyx_n_s_asyncio_coroutines __pyx_mstate_global->__pyx_n_s_asyncio_coroutines +#define __pyx_n_s_atom_coordinates1 __pyx_mstate_global->__pyx_n_s_atom_coordinates1 +#define __pyx_n_s_atom_coordinates2 __pyx_mstate_global->__pyx_n_s_atom_coordinates2 +#define __pyx_n_s_atoms_per_res1 __pyx_mstate_global->__pyx_n_s_atoms_per_res1 +#define __pyx_n_s_atoms_per_res2 __pyx_mstate_global->__pyx_n_s_atoms_per_res2 +#define __pyx_n_s_base __pyx_mstate_global->__pyx_n_s_base +#define __pyx_n_s_c __pyx_mstate_global->__pyx_n_s_c +#define __pyx_n_u_c __pyx_mstate_global->__pyx_n_u_c +#define __pyx_n_s_class __pyx_mstate_global->__pyx_n_s_class +#define __pyx_n_s_class_getitem __pyx_mstate_global->__pyx_n_s_class_getitem +#define __pyx_n_s_cline_in_traceback __pyx_mstate_global->__pyx_n_s_cline_in_traceback +#define __pyx_n_s_collections __pyx_mstate_global->__pyx_n_s_collections +#define __pyx_kp_s_collections_abc __pyx_mstate_global->__pyx_kp_s_collections_abc +#define __pyx_kp_s_contiguous_and_direct __pyx_mstate_global->__pyx_kp_s_contiguous_and_direct +#define __pyx_kp_s_contiguous_and_indirect __pyx_mstate_global->__pyx_kp_s_contiguous_and_indirect +#define __pyx_n_s_count __pyx_mstate_global->__pyx_n_s_count +#define __pyx_n_s_cum_i_atoms __pyx_mstate_global->__pyx_n_s_cum_i_atoms +#define __pyx_n_s_cum_i_atoms_end __pyx_mstate_global->__pyx_n_s_cum_i_atoms_end +#define __pyx_n_s_cum_j_atoms __pyx_mstate_global->__pyx_n_s_cum_j_atoms +#define __pyx_n_s_cum_j_atoms_end __pyx_mstate_global->__pyx_n_s_cum_j_atoms_end +#define __pyx_n_s_dict __pyx_mstate_global->__pyx_n_s_dict +#define __pyx_kp_u_disable __pyx_mstate_global->__pyx_kp_u_disable +#define __pyx_n_s_dtype __pyx_mstate_global->__pyx_n_s_dtype +#define __pyx_n_s_dtype_is_object __pyx_mstate_global->__pyx_n_s_dtype_is_object +#define __pyx_kp_u_enable __pyx_mstate_global->__pyx_kp_u_enable +#define __pyx_n_s_encode __pyx_mstate_global->__pyx_n_s_encode +#define __pyx_n_s_enumerate __pyx_mstate_global->__pyx_n_s_enumerate +#define __pyx_n_s_error __pyx_mstate_global->__pyx_n_s_error +#define __pyx_n_s_flags __pyx_mstate_global->__pyx_n_s_flags +#define __pyx_n_s_float32 __pyx_mstate_global->__pyx_n_s_float32 +#define __pyx_n_s_format __pyx_mstate_global->__pyx_n_s_format +#define __pyx_n_s_fortran __pyx_mstate_global->__pyx_n_s_fortran +#define __pyx_n_u_fortran __pyx_mstate_global->__pyx_n_u_fortran +#define __pyx_kp_u_gc __pyx_mstate_global->__pyx_kp_u_gc +#define __pyx_n_s_get_fnat_stats __pyx_mstate_global->__pyx_n_s_get_fnat_stats +#define __pyx_n_s_getstate __pyx_mstate_global->__pyx_n_s_getstate +#define __pyx_kp_u_got __pyx_mstate_global->__pyx_kp_u_got +#define __pyx_kp_u_got_differing_extents_in_dimensi __pyx_mstate_global->__pyx_kp_u_got_differing_extents_in_dimensi +#define __pyx_n_s_i __pyx_mstate_global->__pyx_n_s_i +#define __pyx_n_s_i_atoms __pyx_mstate_global->__pyx_n_s_i_atoms +#define __pyx_n_s_id __pyx_mstate_global->__pyx_n_s_id +#define __pyx_n_s_import __pyx_mstate_global->__pyx_n_s_import +#define __pyx_n_s_index __pyx_mstate_global->__pyx_n_s_index +#define __pyx_n_s_initializing __pyx_mstate_global->__pyx_n_s_initializing +#define __pyx_n_s_is_coroutine __pyx_mstate_global->__pyx_n_s_is_coroutine +#define __pyx_kp_u_isenabled __pyx_mstate_global->__pyx_kp_u_isenabled +#define __pyx_n_s_itemsize __pyx_mstate_global->__pyx_n_s_itemsize +#define __pyx_kp_s_itemsize_0_for_cython_array __pyx_mstate_global->__pyx_kp_s_itemsize_0_for_cython_array +#define __pyx_n_s_j __pyx_mstate_global->__pyx_n_s_j +#define __pyx_n_s_j_atoms __pyx_mstate_global->__pyx_n_s_j_atoms +#define __pyx_n_s_main __pyx_mstate_global->__pyx_n_s_main +#define __pyx_n_s_memview __pyx_mstate_global->__pyx_n_s_memview +#define __pyx_n_s_min_d __pyx_mstate_global->__pyx_n_s_min_d +#define __pyx_n_s_mode __pyx_mstate_global->__pyx_n_s_mode +#define __pyx_n_s_model_res_distances __pyx_mstate_global->__pyx_n_s_model_res_distances +#define __pyx_n_s_n_model_contacts __pyx_mstate_global->__pyx_n_s_n_model_contacts +#define __pyx_n_s_n_native_contacts __pyx_mstate_global->__pyx_n_s_n_native_contacts +#define __pyx_n_s_n_non_native_contacts __pyx_mstate_global->__pyx_n_s_n_non_native_contacts +#define __pyx_n_s_n_res_i __pyx_mstate_global->__pyx_n_s_n_res_i +#define __pyx_n_s_n_res_j __pyx_mstate_global->__pyx_n_s_n_res_j +#define __pyx_n_s_n_shared_contacts __pyx_mstate_global->__pyx_n_s_n_shared_contacts +#define __pyx_n_s_name __pyx_mstate_global->__pyx_n_s_name +#define __pyx_n_s_name_2 __pyx_mstate_global->__pyx_n_s_name_2 +#define __pyx_n_s_native_res_distances __pyx_mstate_global->__pyx_n_s_native_res_distances +#define __pyx_n_s_native_shape_0 __pyx_mstate_global->__pyx_n_s_native_shape_0 +#define __pyx_n_s_native_shape_1 __pyx_mstate_global->__pyx_n_s_native_shape_1 +#define __pyx_n_s_ndim __pyx_mstate_global->__pyx_n_s_ndim +#define __pyx_n_s_new __pyx_mstate_global->__pyx_n_s_new +#define __pyx_kp_s_no_default___reduce___due_to_non __pyx_mstate_global->__pyx_kp_s_no_default___reduce___due_to_non +#define __pyx_n_s_np __pyx_mstate_global->__pyx_n_s_np +#define __pyx_n_s_numpy __pyx_mstate_global->__pyx_n_s_numpy +#define __pyx_kp_u_numpy_core_multiarray_failed_to __pyx_mstate_global->__pyx_kp_u_numpy_core_multiarray_failed_to +#define __pyx_kp_u_numpy_core_umath_failed_to_impor __pyx_mstate_global->__pyx_kp_u_numpy_core_umath_failed_to_impor +#define __pyx_n_s_obj __pyx_mstate_global->__pyx_n_s_obj +#define __pyx_n_s_pack __pyx_mstate_global->__pyx_n_s_pack +#define __pyx_n_s_pickle __pyx_mstate_global->__pyx_n_s_pickle +#define __pyx_n_s_pyx_PickleError __pyx_mstate_global->__pyx_n_s_pyx_PickleError +#define __pyx_n_s_pyx_checksum __pyx_mstate_global->__pyx_n_s_pyx_checksum +#define __pyx_n_s_pyx_result __pyx_mstate_global->__pyx_n_s_pyx_result +#define __pyx_n_s_pyx_state __pyx_mstate_global->__pyx_n_s_pyx_state +#define __pyx_n_s_pyx_type __pyx_mstate_global->__pyx_n_s_pyx_type +#define __pyx_n_s_pyx_unpickle_Enum __pyx_mstate_global->__pyx_n_s_pyx_unpickle_Enum +#define __pyx_n_s_pyx_vtable __pyx_mstate_global->__pyx_n_s_pyx_vtable +#define __pyx_n_s_range __pyx_mstate_global->__pyx_n_s_range +#define __pyx_n_s_reduce __pyx_mstate_global->__pyx_n_s_reduce +#define __pyx_n_s_reduce_cython __pyx_mstate_global->__pyx_n_s_reduce_cython +#define __pyx_n_s_reduce_ex __pyx_mstate_global->__pyx_n_s_reduce_ex +#define __pyx_n_s_register __pyx_mstate_global->__pyx_n_s_register +#define __pyx_n_s_res_distances __pyx_mstate_global->__pyx_n_s_res_distances +#define __pyx_n_s_residue_distances __pyx_mstate_global->__pyx_n_s_residue_distances +#define __pyx_n_s_setstate __pyx_mstate_global->__pyx_n_s_setstate +#define __pyx_n_s_setstate_cython __pyx_mstate_global->__pyx_n_s_setstate_cython +#define __pyx_n_s_shape __pyx_mstate_global->__pyx_n_s_shape +#define __pyx_n_s_size __pyx_mstate_global->__pyx_n_s_size +#define __pyx_n_s_spec __pyx_mstate_global->__pyx_n_s_spec +#define __pyx_kp_s_src_DockQ_operations_pyx __pyx_mstate_global->__pyx_kp_s_src_DockQ_operations_pyx +#define __pyx_n_s_start __pyx_mstate_global->__pyx_n_s_start +#define __pyx_n_s_step __pyx_mstate_global->__pyx_n_s_step +#define __pyx_n_s_stop __pyx_mstate_global->__pyx_n_s_stop +#define __pyx_kp_s_strided_and_direct __pyx_mstate_global->__pyx_kp_s_strided_and_direct +#define __pyx_kp_s_strided_and_direct_or_indirect __pyx_mstate_global->__pyx_kp_s_strided_and_direct_or_indirect +#define __pyx_kp_s_strided_and_indirect __pyx_mstate_global->__pyx_kp_s_strided_and_indirect +#define __pyx_kp_s_stringsource __pyx_mstate_global->__pyx_kp_s_stringsource +#define __pyx_n_s_struct __pyx_mstate_global->__pyx_n_s_struct +#define __pyx_n_s_sys __pyx_mstate_global->__pyx_n_s_sys +#define __pyx_n_s_test __pyx_mstate_global->__pyx_n_s_test +#define __pyx_n_s_this_d __pyx_mstate_global->__pyx_n_s_this_d +#define __pyx_n_s_threshold __pyx_mstate_global->__pyx_n_s_threshold +#define __pyx_n_s_threshold_squared __pyx_mstate_global->__pyx_n_s_threshold_squared +#define __pyx_kp_s_unable_to_allocate_array_data __pyx_mstate_global->__pyx_kp_s_unable_to_allocate_array_data +#define __pyx_kp_s_unable_to_allocate_shape_and_str __pyx_mstate_global->__pyx_kp_s_unable_to_allocate_shape_and_str +#define __pyx_n_s_unpack __pyx_mstate_global->__pyx_n_s_unpack +#define __pyx_n_s_update __pyx_mstate_global->__pyx_n_s_update +#define __pyx_n_s_version_info __pyx_mstate_global->__pyx_n_s_version_info +#define __pyx_n_s_x __pyx_mstate_global->__pyx_n_s_x +#define __pyx_n_s_y __pyx_mstate_global->__pyx_n_s_y +#define __pyx_n_s_zeros __pyx_mstate_global->__pyx_n_s_zeros +#define __pyx_int_0 __pyx_mstate_global->__pyx_int_0 +#define __pyx_int_1 __pyx_mstate_global->__pyx_int_1 +#define __pyx_int_3 __pyx_mstate_global->__pyx_int_3 +#define __pyx_int_112105877 __pyx_mstate_global->__pyx_int_112105877 +#define __pyx_int_136983863 __pyx_mstate_global->__pyx_int_136983863 +#define __pyx_int_184977713 __pyx_mstate_global->__pyx_int_184977713 +#define __pyx_int_neg_1 __pyx_mstate_global->__pyx_int_neg_1 +#define __pyx_slice__5 __pyx_mstate_global->__pyx_slice__5 +#define __pyx_tuple__4 __pyx_mstate_global->__pyx_tuple__4 +#define __pyx_tuple__8 __pyx_mstate_global->__pyx_tuple__8 +#define __pyx_tuple__9 __pyx_mstate_global->__pyx_tuple__9 +#define __pyx_tuple__10 __pyx_mstate_global->__pyx_tuple__10 +#define __pyx_tuple__11 __pyx_mstate_global->__pyx_tuple__11 +#define __pyx_tuple__12 __pyx_mstate_global->__pyx_tuple__12 +#define __pyx_tuple__13 __pyx_mstate_global->__pyx_tuple__13 +#define __pyx_tuple__14 __pyx_mstate_global->__pyx_tuple__14 +#define __pyx_tuple__15 __pyx_mstate_global->__pyx_tuple__15 +#define __pyx_tuple__16 __pyx_mstate_global->__pyx_tuple__16 +#define __pyx_tuple__17 __pyx_mstate_global->__pyx_tuple__17 +#define __pyx_tuple__18 __pyx_mstate_global->__pyx_tuple__18 +#define __pyx_tuple__19 __pyx_mstate_global->__pyx_tuple__19 +#define __pyx_tuple__20 __pyx_mstate_global->__pyx_tuple__20 +#define __pyx_tuple__22 __pyx_mstate_global->__pyx_tuple__22 +#define __pyx_tuple__24 __pyx_mstate_global->__pyx_tuple__24 +#define __pyx_codeobj__21 __pyx_mstate_global->__pyx_codeobj__21 +#define __pyx_codeobj__23 __pyx_mstate_global->__pyx_codeobj__23 +#define __pyx_codeobj__25 __pyx_mstate_global->__pyx_codeobj__25 +/* #### Code section: module_code ### */ + +/* "View.MemoryView":131 + * cdef bint dtype_is_object + * + * def __cinit__(array self, tuple shape, Py_ssize_t itemsize, format not None, # <<<<<<<<<<<<<< + * mode="c", bint allocate_buffer=True): + * + */ + +/* Python wrapper */ +static int __pyx_array___cinit__(PyObject *__pyx_v_self, PyObject *__pyx_args, PyObject *__pyx_kwds); /*proto*/ +static int __pyx_array___cinit__(PyObject *__pyx_v_self, PyObject *__pyx_args, PyObject *__pyx_kwds) 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(__pyx_v_start >= __pyx_v_shape); + if (__pyx_t_2) { + + /* "View.MemoryView":836 + * start = 0 + * elif start >= shape: + * if negative_step: # <<<<<<<<<<<<<< + * start = shape - 1 + * else: + */ + if (__pyx_v_negative_step) { + + /* "View.MemoryView":837 + * elif start >= shape: + * if negative_step: + * start = shape - 1 # <<<<<<<<<<<<<< + * else: + * start = shape + */ + __pyx_v_start = (__pyx_v_shape - 1); + + /* "View.MemoryView":836 + * start = 0 + * elif start >= shape: + * if negative_step: # <<<<<<<<<<<<<< + * start = shape - 1 + * else: + */ + goto __pyx_L11; + } + + /* "View.MemoryView":839 + * start = shape - 1 + * else: + * start = shape # <<<<<<<<<<<<<< + * else: + * if negative_step: + */ + /*else*/ { + __pyx_v_start = __pyx_v_shape; + } + __pyx_L11:; + + /* "View.MemoryView":835 + * if start < 0: + * start = 0 + * elif start >= shape: # <<<<<<<<<<<<<< + * if negative_step: + * start = shape - 1 + */ + } + __pyx_L9:; + + /* "View.MemoryView":830 + * + * + * if have_start: # <<<<<<<<<<<<<< + * if start < 0: + * start += shape + */ + goto __pyx_L8; + } + + /* "View.MemoryView":841 + * start = shape + * else: + * if negative_step: # <<<<<<<<<<<<<< + * start = shape - 1 + * else: + */ + /*else*/ { + if (__pyx_v_negative_step) { + + /* "View.MemoryView":842 + * else: + * if negative_step: + * start = shape - 1 # <<<<<<<<<<<<<< + * else: + * start = 0 + */ + __pyx_v_start = (__pyx_v_shape - 1); + + /* "View.MemoryView":841 + * start = shape + * else: + * if negative_step: # <<<<<<<<<<<<<< + * start = shape - 1 + * else: + */ + goto __pyx_L12; + } + + /* "View.MemoryView":844 + * start = shape - 1 + * else: + * start = 0 # <<<<<<<<<<<<<< + * + * if have_stop: + */ + /*else*/ { + __pyx_v_start = 0; + } + __pyx_L12:; + } + __pyx_L8:; + + /* "View.MemoryView":846 + * start = 0 + * + * if have_stop: # <<<<<<<<<<<<<< + * if stop < 0: + * stop += shape + */ + __pyx_t_2 = (__pyx_v_have_stop != 0); + if (__pyx_t_2) { + + /* "View.MemoryView":847 + * + * if have_stop: + * if stop < 0: # <<<<<<<<<<<<<< + * stop += shape + * if stop < 0: + */ + __pyx_t_2 = (__pyx_v_stop < 0); + if (__pyx_t_2) { + + /* "View.MemoryView":848 + * if have_stop: + * if stop < 0: + * stop += shape # <<<<<<<<<<<<<< + * if stop < 0: + * stop = 0 + */ + __pyx_v_stop = (__pyx_v_stop + __pyx_v_shape); + + /* "View.MemoryView":849 + * if stop < 0: + * stop += shape + * if stop < 0: # <<<<<<<<<<<<<< + * stop = 0 + * elif stop > shape: + */ + __pyx_t_2 = (__pyx_v_stop < 0); + if (__pyx_t_2) { + + /* "View.MemoryView":850 + * stop += shape + * if stop < 0: + * stop = 0 # <<<<<<<<<<<<<< + * elif stop > shape: + * stop = shape + */ + __pyx_v_stop = 0; + + /* "View.MemoryView":849 + * if stop < 0: + * stop += shape + * if stop < 0: # <<<<<<<<<<<<<< + * stop = 0 + * elif stop > shape: + */ + } + + /* "View.MemoryView":847 + * + * if have_stop: + * if stop < 0: # <<<<<<<<<<<<<< + * stop += shape + * if stop < 0: + */ + goto __pyx_L14; + } + + /* "View.MemoryView":851 + * if stop < 0: + * stop = 0 + * elif stop > shape: # <<<<<<<<<<<<<< + * stop = shape + * else: + */ + __pyx_t_2 = (__pyx_v_stop > __pyx_v_shape); + if (__pyx_t_2) { + + /* "View.MemoryView":852 + * stop = 0 + * elif stop > shape: + * stop = shape # <<<<<<<<<<<<<< + * else: + * if negative_step: + */ + __pyx_v_stop = __pyx_v_shape; + + /* "View.MemoryView":851 + * if stop < 0: + * stop = 0 + * elif stop > shape: # <<<<<<<<<<<<<< + * stop = shape + * else: + */ + } + __pyx_L14:; + + /* "View.MemoryView":846 + * start = 0 + * + * if have_stop: # <<<<<<<<<<<<<< + * if stop < 0: + * stop += shape + */ + goto __pyx_L13; + } + + /* "View.MemoryView":854 + * stop = shape + * else: + * if negative_step: # <<<<<<<<<<<<<< + * stop = -1 + * else: + */ + /*else*/ { + if (__pyx_v_negative_step) { + + /* "View.MemoryView":855 + * else: + * if negative_step: + * stop = -1 # <<<<<<<<<<<<<< + * else: + * stop = shape + */ + __pyx_v_stop = -1L; + + /* "View.MemoryView":854 + * stop = shape + * else: + * if negative_step: # <<<<<<<<<<<<<< + * stop = -1 + * else: + */ + goto __pyx_L16; + } + + /* "View.MemoryView":857 + * stop = -1 + * else: + * stop = shape # <<<<<<<<<<<<<< + * + * + */ + /*else*/ { + __pyx_v_stop = __pyx_v_shape; + } + __pyx_L16:; + } + __pyx_L13:; + + /* "View.MemoryView":861 + * + * with cython.cdivision(True): + * new_shape = (stop - start) // step # <<<<<<<<<<<<<< + * + * if (stop - start) - step * new_shape: + */ + __pyx_v_new_shape = ((__pyx_v_stop - __pyx_v_start) / __pyx_v_step); + + /* "View.MemoryView":863 + * new_shape = (stop - start) // step + * + * if (stop - start) - step * new_shape: # <<<<<<<<<<<<<< + * new_shape += 1 + * + */ + __pyx_t_2 = (((__pyx_v_stop - __pyx_v_start) - (__pyx_v_step * __pyx_v_new_shape)) != 0); + if (__pyx_t_2) { + + /* "View.MemoryView":864 + * + * if (stop - start) - step * new_shape: + * new_shape += 1 # <<<<<<<<<<<<<< + * + * if new_shape < 0: + */ + __pyx_v_new_shape = (__pyx_v_new_shape + 1); + + /* "View.MemoryView":863 + * 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__pyx_memoryview_fromslice((__pyx_v_memviewslice[0]), __pyx_v_memview->view.ndim, __pyx_v_to_object_func, __pyx_v_to_dtype_func, __pyx_v_memview->dtype_is_object); if (unlikely(!__pyx_t_4)) __PYX_ERR(1, 1101, __pyx_L1_error) + __Pyx_GOTREF(__pyx_t_4); + __pyx_r = __pyx_t_4; + __pyx_t_4 = 0; + goto __pyx_L0; + + /* "View.MemoryView":1087 + * + * @cname('__pyx_memoryview_copy_object_from_slice') + * cdef memoryview_copy_from_slice(memoryview memview, __Pyx_memviewslice *memviewslice): # <<<<<<<<<<<<<< + * """ + * Create a new memoryview object from a given memoryview object and slice. + */ + + /* function exit code */ + __pyx_L1_error:; + __Pyx_XDECREF(__pyx_t_4); + __Pyx_AddTraceback("View.MemoryView.memoryview_copy_from_slice", __pyx_clineno, __pyx_lineno, __pyx_filename); + __pyx_r = 0; + __pyx_L0:; + __Pyx_XGIVEREF(__pyx_r); + __Pyx_RefNannyFinishContext(); + return __pyx_r; +} + +/* "View.MemoryView":1109 + * + * + * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) noexcept nogil: # <<<<<<<<<<<<<< + * return -arg if arg < 0 else arg + * + */ + +static Py_ssize_t abs_py_ssize_t(Py_ssize_t __pyx_v_arg) { + Py_ssize_t __pyx_r; + Py_ssize_t __pyx_t_1; + int __pyx_t_2; + + /* "View.MemoryView":1110 + * + * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) noexcept nogil: + * return -arg if arg < 0 else arg # <<<<<<<<<<<<<< + * + * @cname('__pyx_get_best_slice_order') + */ + __pyx_t_2 = (__pyx_v_arg < 0); + if (__pyx_t_2) { + __pyx_t_1 = (-__pyx_v_arg); + } else { + __pyx_t_1 = __pyx_v_arg; + } + __pyx_r = __pyx_t_1; + goto __pyx_L0; + + /* "View.MemoryView":1109 + * + * + * cdef Py_ssize_t abs_py_ssize_t(Py_ssize_t arg) noexcept nogil: # <<<<<<<<<<<<<< + * return -arg if arg < 0 else arg + * + */ + + /* function exit code */ + __pyx_L0:; + return __pyx_r; +} + +/* "View.MemoryView":1113 + * + * @cname('__pyx_get_best_slice_order') + * cdef char get_best_order(__Pyx_memviewslice *mslice, int ndim) noexcept nogil: # <<<<<<<<<<<<<< + * """ + * Figure out the best memory access order for a given slice. + */ + +static char __pyx_get_best_slice_order(__Pyx_memviewslice *__pyx_v_mslice, int __pyx_v_ndim) { + int __pyx_v_i; + Py_ssize_t __pyx_v_c_stride; + Py_ssize_t __pyx_v_f_stride; + char __pyx_r; + int __pyx_t_1; + int __pyx_t_2; + int __pyx_t_3; + int __pyx_t_4; + + /* "View.MemoryView":1118 + * """ + * cdef int i + * cdef Py_ssize_t c_stride = 0 # <<<<<<<<<<<<<< + * cdef Py_ssize_t f_stride = 0 + * + */ + __pyx_v_c_stride = 0; + + /* "View.MemoryView":1119 + * cdef int i + * cdef Py_ssize_t c_stride = 0 + * cdef Py_ssize_t f_stride = 0 # <<<<<<<<<<<<<< + * + * for i in range(ndim - 1, -1, -1): + */ + __pyx_v_f_stride = 0; + + /* "View.MemoryView":1121 + * cdef Py_ssize_t f_stride = 0 + * + * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< + * if mslice.shape[i] > 1: + * c_stride = mslice.strides[i] + */ + for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { + __pyx_v_i = __pyx_t_1; + + /* "View.MemoryView":1122 + * + * for i in range(ndim - 1, -1, -1): + * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< + * c_stride = mslice.strides[i] + * break + */ + __pyx_t_2 = ((__pyx_v_mslice->shape[__pyx_v_i]) > 1); + if (__pyx_t_2) { + + /* "View.MemoryView":1123 + * for i in range(ndim - 1, -1, -1): + * if mslice.shape[i] > 1: + * c_stride = mslice.strides[i] # <<<<<<<<<<<<<< + * break + * + */ + __pyx_v_c_stride = (__pyx_v_mslice->strides[__pyx_v_i]); + + /* "View.MemoryView":1124 + * if mslice.shape[i] > 1: + * c_stride = mslice.strides[i] + * break # <<<<<<<<<<<<<< + * + * for i in range(ndim): + */ + goto __pyx_L4_break; + + /* "View.MemoryView":1122 + * + * for i in range(ndim - 1, -1, -1): + * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< + * c_stride = mslice.strides[i] + * break + */ + } + } + __pyx_L4_break:; + + /* "View.MemoryView":1126 + * break + * + * for i in range(ndim): # <<<<<<<<<<<<<< + * if mslice.shape[i] > 1: + * f_stride = mslice.strides[i] + */ + __pyx_t_1 = __pyx_v_ndim; + __pyx_t_3 = __pyx_t_1; + for (__pyx_t_4 = 0; __pyx_t_4 < __pyx_t_3; __pyx_t_4+=1) { + __pyx_v_i = __pyx_t_4; + + /* "View.MemoryView":1127 + * + * for i in range(ndim): + * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< + * f_stride = mslice.strides[i] + * break + */ + __pyx_t_2 = ((__pyx_v_mslice->shape[__pyx_v_i]) > 1); + if (__pyx_t_2) { + + /* "View.MemoryView":1128 + * for i in range(ndim): + * if mslice.shape[i] > 1: + * f_stride = mslice.strides[i] # <<<<<<<<<<<<<< + * break + * + */ + __pyx_v_f_stride = (__pyx_v_mslice->strides[__pyx_v_i]); + + /* "View.MemoryView":1129 + * if mslice.shape[i] > 1: + * f_stride = mslice.strides[i] + * break # <<<<<<<<<<<<<< + * + * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): + */ + goto __pyx_L7_break; + + /* "View.MemoryView":1127 + * + * for i in range(ndim): + * if mslice.shape[i] > 1: # <<<<<<<<<<<<<< + * f_stride = mslice.strides[i] + * break + */ + } + } + __pyx_L7_break:; + + /* "View.MemoryView":1131 + * break + * + * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): # <<<<<<<<<<<<<< + * return 'C' + * else: + */ + __pyx_t_2 = (abs_py_ssize_t(__pyx_v_c_stride) <= abs_py_ssize_t(__pyx_v_f_stride)); + if (__pyx_t_2) { + + /* "View.MemoryView":1132 + * + * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): + * return 'C' # <<<<<<<<<<<<<< + * else: + * return 'F' + */ + __pyx_r = 'C'; + goto __pyx_L0; + + /* "View.MemoryView":1131 + * break + * + * if abs_py_ssize_t(c_stride) <= abs_py_ssize_t(f_stride): # <<<<<<<<<<<<<< + * return 'C' + * else: + */ + } + + /* "View.MemoryView":1134 + * return 'C' + * else: + * return 'F' # <<<<<<<<<<<<<< + * + * @cython.cdivision(True) + */ + /*else*/ { + __pyx_r = 'F'; + goto __pyx_L0; + } + + /* "View.MemoryView":1113 + * + * @cname('__pyx_get_best_slice_order') + * cdef char get_best_order(__Pyx_memviewslice *mslice, int ndim) noexcept nogil: # <<<<<<<<<<<<<< + * """ + * Figure out the best memory access order for a given slice. + */ + + /* function exit code */ + __pyx_L0:; + return __pyx_r; +} + +/* "View.MemoryView":1137 + * + * @cython.cdivision(True) + * cdef void _copy_strided_to_strided(char *src_data, Py_ssize_t *src_strides, # <<<<<<<<<<<<<< + * char *dst_data, Py_ssize_t *dst_strides, + * Py_ssize_t *src_shape, Py_ssize_t *dst_shape, + */ + +static void _copy_strided_to_strided(char *__pyx_v_src_data, Py_ssize_t *__pyx_v_src_strides, char *__pyx_v_dst_data, Py_ssize_t *__pyx_v_dst_strides, Py_ssize_t *__pyx_v_src_shape, Py_ssize_t *__pyx_v_dst_shape, int __pyx_v_ndim, size_t __pyx_v_itemsize) { + CYTHON_UNUSED Py_ssize_t __pyx_v_i; + CYTHON_UNUSED Py_ssize_t __pyx_v_src_extent; + Py_ssize_t __pyx_v_dst_extent; + Py_ssize_t __pyx_v_src_stride; + Py_ssize_t __pyx_v_dst_stride; + int __pyx_t_1; + int __pyx_t_2; + Py_ssize_t __pyx_t_3; + Py_ssize_t __pyx_t_4; + Py_ssize_t __pyx_t_5; + + /* "View.MemoryView":1144 + * + * cdef Py_ssize_t i + * cdef Py_ssize_t src_extent = src_shape[0] # <<<<<<<<<<<<<< + * cdef Py_ssize_t dst_extent = dst_shape[0] + * cdef Py_ssize_t src_stride = src_strides[0] + */ + __pyx_v_src_extent = (__pyx_v_src_shape[0]); + + /* "View.MemoryView":1145 + * cdef Py_ssize_t i + * cdef Py_ssize_t src_extent = src_shape[0] + * cdef Py_ssize_t dst_extent = dst_shape[0] # <<<<<<<<<<<<<< + * cdef Py_ssize_t src_stride = src_strides[0] + * cdef Py_ssize_t dst_stride = dst_strides[0] + */ + __pyx_v_dst_extent = (__pyx_v_dst_shape[0]); + + /* "View.MemoryView":1146 + * cdef Py_ssize_t src_extent = src_shape[0] + * cdef Py_ssize_t dst_extent = dst_shape[0] + * cdef Py_ssize_t src_stride = src_strides[0] # <<<<<<<<<<<<<< + * cdef Py_ssize_t dst_stride = dst_strides[0] + * + */ + __pyx_v_src_stride = (__pyx_v_src_strides[0]); + + /* "View.MemoryView":1147 + * cdef Py_ssize_t dst_extent = dst_shape[0] + * cdef Py_ssize_t src_stride = src_strides[0] + * cdef Py_ssize_t dst_stride = dst_strides[0] # <<<<<<<<<<<<<< + * + * if ndim == 1: + */ + __pyx_v_dst_stride = (__pyx_v_dst_strides[0]); + + /* "View.MemoryView":1149 + * cdef Py_ssize_t dst_stride = dst_strides[0] + * + * if ndim == 1: # <<<<<<<<<<<<<< + * if (src_stride > 0 and dst_stride > 0 and + * src_stride == itemsize == dst_stride): + */ + __pyx_t_1 = (__pyx_v_ndim == 1); + if (__pyx_t_1) { + + /* "View.MemoryView":1150 + * + * if ndim == 1: + * if (src_stride > 0 and dst_stride > 0 and # <<<<<<<<<<<<<< + * src_stride == itemsize == dst_stride): + * memcpy(dst_data, src_data, itemsize * dst_extent) + */ + __pyx_t_2 = (__pyx_v_src_stride > 0); + if (__pyx_t_2) { + } else { + __pyx_t_1 = __pyx_t_2; + goto __pyx_L5_bool_binop_done; + } + __pyx_t_2 = (__pyx_v_dst_stride > 0); + if (__pyx_t_2) { + } else { + __pyx_t_1 = __pyx_t_2; + goto __pyx_L5_bool_binop_done; + } + + /* "View.MemoryView":1151 + * if ndim == 1: + * if (src_stride > 0 and dst_stride > 0 and + * src_stride == itemsize == dst_stride): # <<<<<<<<<<<<<< + * memcpy(dst_data, src_data, itemsize * dst_extent) + * else: + */ + __pyx_t_2 = (((size_t)__pyx_v_src_stride) == __pyx_v_itemsize); + if (__pyx_t_2) { + __pyx_t_2 = (__pyx_v_itemsize == ((size_t)__pyx_v_dst_stride)); + } + __pyx_t_1 = __pyx_t_2; + __pyx_L5_bool_binop_done:; + + /* "View.MemoryView":1150 + * + * if ndim == 1: + * if (src_stride > 0 and dst_stride > 0 and # <<<<<<<<<<<<<< + * src_stride == itemsize == dst_stride): + * memcpy(dst_data, src_data, itemsize * dst_extent) + */ + if (__pyx_t_1) { + + /* "View.MemoryView":1152 + * if (src_stride > 0 and dst_stride > 0 and + * src_stride == itemsize == dst_stride): + * memcpy(dst_data, src_data, itemsize * dst_extent) # <<<<<<<<<<<<<< + * else: + * for i in range(dst_extent): + */ + (void)(memcpy(__pyx_v_dst_data, __pyx_v_src_data, (__pyx_v_itemsize * __pyx_v_dst_extent))); + + /* "View.MemoryView":1150 + * + * if ndim == 1: + * if (src_stride > 0 and dst_stride > 0 and # <<<<<<<<<<<<<< + * src_stride == itemsize == dst_stride): + * memcpy(dst_data, src_data, itemsize * dst_extent) + */ + goto __pyx_L4; + } + + /* "View.MemoryView":1154 + * memcpy(dst_data, src_data, itemsize * dst_extent) + * else: + * for i in range(dst_extent): # <<<<<<<<<<<<<< + * memcpy(dst_data, src_data, itemsize) + * src_data += src_stride + */ + /*else*/ { + __pyx_t_3 = __pyx_v_dst_extent; + __pyx_t_4 = __pyx_t_3; + for (__pyx_t_5 = 0; __pyx_t_5 < __pyx_t_4; __pyx_t_5+=1) { + __pyx_v_i = __pyx_t_5; + + /* "View.MemoryView":1155 + * else: + * for i in range(dst_extent): + * memcpy(dst_data, src_data, itemsize) # <<<<<<<<<<<<<< + * src_data += src_stride + * dst_data += dst_stride + */ + (void)(memcpy(__pyx_v_dst_data, __pyx_v_src_data, __pyx_v_itemsize)); + + /* "View.MemoryView":1156 + * for i in range(dst_extent): + * memcpy(dst_data, src_data, itemsize) + * src_data += src_stride # <<<<<<<<<<<<<< + * dst_data += dst_stride + * else: + */ + __pyx_v_src_data = (__pyx_v_src_data + __pyx_v_src_stride); + + /* "View.MemoryView":1157 + * memcpy(dst_data, src_data, itemsize) + * src_data += src_stride + * dst_data += dst_stride # <<<<<<<<<<<<<< + * else: + * for i in range(dst_extent): + */ + __pyx_v_dst_data = (__pyx_v_dst_data + __pyx_v_dst_stride); + } + } + __pyx_L4:; + + /* "View.MemoryView":1149 + * cdef Py_ssize_t dst_stride = dst_strides[0] + * + * if ndim == 1: # <<<<<<<<<<<<<< + * if (src_stride > 0 and dst_stride > 0 and + * src_stride == itemsize == dst_stride): + */ + goto __pyx_L3; + } + + /* "View.MemoryView":1159 + * dst_data += dst_stride + * else: + * for i in range(dst_extent): # <<<<<<<<<<<<<< + * _copy_strided_to_strided(src_data, src_strides + 1, + * dst_data, dst_strides + 1, + */ + /*else*/ { + __pyx_t_3 = __pyx_v_dst_extent; + __pyx_t_4 = __pyx_t_3; + for (__pyx_t_5 = 0; __pyx_t_5 < __pyx_t_4; __pyx_t_5+=1) { + __pyx_v_i = __pyx_t_5; + + /* "View.MemoryView":1160 + * else: + * for i in range(dst_extent): + * _copy_strided_to_strided(src_data, src_strides + 1, # <<<<<<<<<<<<<< + * dst_data, dst_strides + 1, + * src_shape + 1, dst_shape + 1, + */ + _copy_strided_to_strided(__pyx_v_src_data, (__pyx_v_src_strides + 1), __pyx_v_dst_data, (__pyx_v_dst_strides + 1), (__pyx_v_src_shape + 1), (__pyx_v_dst_shape + 1), (__pyx_v_ndim - 1), __pyx_v_itemsize); + + /* "View.MemoryView":1164 + * src_shape + 1, dst_shape + 1, + * ndim - 1, itemsize) + * src_data += src_stride # <<<<<<<<<<<<<< + * dst_data += dst_stride + * + */ + __pyx_v_src_data = (__pyx_v_src_data + __pyx_v_src_stride); + + /* "View.MemoryView":1165 + * ndim - 1, itemsize) + * src_data += src_stride + * dst_data += dst_stride # <<<<<<<<<<<<<< + * + * cdef void copy_strided_to_strided(__Pyx_memviewslice *src, + */ + __pyx_v_dst_data = (__pyx_v_dst_data + __pyx_v_dst_stride); + } + } + __pyx_L3:; + + /* "View.MemoryView":1137 + * + * @cython.cdivision(True) + * cdef void _copy_strided_to_strided(char *src_data, Py_ssize_t *src_strides, # <<<<<<<<<<<<<< + * char *dst_data, Py_ssize_t *dst_strides, + * Py_ssize_t *src_shape, Py_ssize_t *dst_shape, + */ + + /* function exit code */ +} + +/* "View.MemoryView":1167 + * dst_data += dst_stride + * + * cdef void copy_strided_to_strided(__Pyx_memviewslice *src, # <<<<<<<<<<<<<< + * __Pyx_memviewslice *dst, + * int ndim, size_t itemsize) noexcept nogil: + */ + +static void copy_strided_to_strided(__Pyx_memviewslice *__pyx_v_src, __Pyx_memviewslice *__pyx_v_dst, int __pyx_v_ndim, size_t __pyx_v_itemsize) { + + /* "View.MemoryView":1170 + * __Pyx_memviewslice *dst, + * int ndim, size_t itemsize) noexcept nogil: + * _copy_strided_to_strided(src.data, src.strides, dst.data, dst.strides, # <<<<<<<<<<<<<< + * src.shape, dst.shape, ndim, itemsize) + * + */ + _copy_strided_to_strided(__pyx_v_src->data, __pyx_v_src->strides, __pyx_v_dst->data, __pyx_v_dst->strides, __pyx_v_src->shape, __pyx_v_dst->shape, __pyx_v_ndim, __pyx_v_itemsize); + + /* "View.MemoryView":1167 + * dst_data += dst_stride + * + * cdef void copy_strided_to_strided(__Pyx_memviewslice *src, # <<<<<<<<<<<<<< + * __Pyx_memviewslice *dst, + * int ndim, size_t itemsize) noexcept nogil: + */ + + /* function exit code */ +} + +/* "View.MemoryView":1174 + * + * @cname('__pyx_memoryview_slice_get_size') + * cdef Py_ssize_t slice_get_size(__Pyx_memviewslice *src, int ndim) noexcept nogil: # <<<<<<<<<<<<<< + * "Return the size of the memory occupied by the slice in number of bytes" + * cdef Py_ssize_t shape, size = src.memview.view.itemsize + */ + +static Py_ssize_t __pyx_memoryview_slice_get_size(__Pyx_memviewslice *__pyx_v_src, int __pyx_v_ndim) { + Py_ssize_t __pyx_v_shape; + Py_ssize_t __pyx_v_size; + Py_ssize_t __pyx_r; + Py_ssize_t __pyx_t_1; + Py_ssize_t *__pyx_t_2; + Py_ssize_t *__pyx_t_3; + Py_ssize_t *__pyx_t_4; + + /* "View.MemoryView":1176 + * cdef Py_ssize_t slice_get_size(__Pyx_memviewslice *src, int ndim) noexcept nogil: + * "Return the size of the memory occupied by the slice in number of bytes" + * cdef Py_ssize_t shape, size = src.memview.view.itemsize # <<<<<<<<<<<<<< + * + * for shape in src.shape[:ndim]: + */ + __pyx_t_1 = __pyx_v_src->memview->view.itemsize; + __pyx_v_size = __pyx_t_1; + + /* "View.MemoryView":1178 + * cdef Py_ssize_t shape, size = src.memview.view.itemsize + * + * for shape in src.shape[:ndim]: # <<<<<<<<<<<<<< + * size *= shape + * + */ + __pyx_t_3 = (__pyx_v_src->shape + __pyx_v_ndim); + for (__pyx_t_4 = __pyx_v_src->shape; __pyx_t_4 < __pyx_t_3; __pyx_t_4++) { + __pyx_t_2 = __pyx_t_4; + __pyx_v_shape = (__pyx_t_2[0]); + + /* "View.MemoryView":1179 + * + * for shape in src.shape[:ndim]: + * size *= shape # <<<<<<<<<<<<<< + * + * return size + */ + __pyx_v_size = (__pyx_v_size * __pyx_v_shape); + } + + /* "View.MemoryView":1181 + * size *= shape + * + * return size # <<<<<<<<<<<<<< + * + * @cname('__pyx_fill_contig_strides_array') + */ + __pyx_r = __pyx_v_size; + goto __pyx_L0; + + /* "View.MemoryView":1174 + * + * @cname('__pyx_memoryview_slice_get_size') + * cdef Py_ssize_t slice_get_size(__Pyx_memviewslice *src, int ndim) noexcept nogil: # <<<<<<<<<<<<<< + * "Return the size of the memory occupied by the slice in number of bytes" + * cdef Py_ssize_t shape, size = src.memview.view.itemsize + */ + + /* function exit code */ + __pyx_L0:; + return __pyx_r; +} + +/* "View.MemoryView":1184 + * + * @cname('__pyx_fill_contig_strides_array') + * cdef Py_ssize_t fill_contig_strides_array( # <<<<<<<<<<<<<< + * Py_ssize_t *shape, Py_ssize_t *strides, Py_ssize_t stride, + * int ndim, char order) noexcept nogil: + */ + +static Py_ssize_t __pyx_fill_contig_strides_array(Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, Py_ssize_t __pyx_v_stride, int __pyx_v_ndim, char __pyx_v_order) { + int __pyx_v_idx; + Py_ssize_t __pyx_r; + int __pyx_t_1; + int __pyx_t_2; + int __pyx_t_3; + int __pyx_t_4; + + /* "View.MemoryView":1193 + * cdef int idx + * + * if order == 'F': # <<<<<<<<<<<<<< + * for idx in range(ndim): + * strides[idx] = stride + */ + __pyx_t_1 = (__pyx_v_order == 'F'); + if (__pyx_t_1) { + + /* "View.MemoryView":1194 + * + * if order == 'F': + * for idx in range(ndim): # <<<<<<<<<<<<<< + * strides[idx] = stride + * stride *= shape[idx] + */ + __pyx_t_2 = __pyx_v_ndim; + __pyx_t_3 = __pyx_t_2; + for (__pyx_t_4 = 0; __pyx_t_4 < __pyx_t_3; __pyx_t_4+=1) { + __pyx_v_idx = __pyx_t_4; + + /* "View.MemoryView":1195 + * if order == 'F': + * for idx in range(ndim): + * strides[idx] = stride # <<<<<<<<<<<<<< + * stride *= shape[idx] + * else: + */ + (__pyx_v_strides[__pyx_v_idx]) = __pyx_v_stride; + + /* "View.MemoryView":1196 + * for idx in range(ndim): + * strides[idx] = stride + * stride *= shape[idx] # <<<<<<<<<<<<<< + * else: + * for idx in range(ndim - 1, -1, -1): + */ + __pyx_v_stride = (__pyx_v_stride * (__pyx_v_shape[__pyx_v_idx])); + } + + /* "View.MemoryView":1193 + * cdef int idx + * + * if order == 'F': # <<<<<<<<<<<<<< + * for idx in range(ndim): + * strides[idx] = stride + */ + goto __pyx_L3; + } + + /* "View.MemoryView":1198 + * stride *= shape[idx] + * else: + * for idx in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< + * strides[idx] = stride + * stride *= shape[idx] + */ + /*else*/ { + for (__pyx_t_2 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<<<<<<<<<<<<<< + * __Pyx_memviewslice dst, + * int src_ndim, int dst_ndim, + */ + +static int __pyx_memoryview_copy_contents(__Pyx_memviewslice __pyx_v_src, __Pyx_memviewslice __pyx_v_dst, int __pyx_v_src_ndim, int __pyx_v_dst_ndim, int __pyx_v_dtype_is_object) { + void *__pyx_v_tmpdata; + size_t __pyx_v_itemsize; + int __pyx_v_i; + char __pyx_v_order; + int __pyx_v_broadcasting; + int __pyx_v_direct_copy; + __Pyx_memviewslice __pyx_v_tmp; + int __pyx_v_ndim; + int __pyx_r; + Py_ssize_t __pyx_t_1; + int __pyx_t_2; + int __pyx_t_3; + int __pyx_t_4; + int __pyx_t_5; + int __pyx_t_6; + void *__pyx_t_7; + int __pyx_lineno = 0; + const char *__pyx_filename = NULL; + int __pyx_clineno = 0; + #ifdef WITH_THREAD + PyGILState_STATE __pyx_gilstate_save; + #endif + + /* "View.MemoryView":1273 + * Check for overlapping memory and verify the shapes. + * """ + * cdef void *tmpdata = NULL # <<<<<<<<<<<<<< + * cdef size_t itemsize = src.memview.view.itemsize + * cdef int i + */ + __pyx_v_tmpdata = NULL; + + /* "View.MemoryView":1274 + * """ + * cdef void *tmpdata = NULL + * cdef size_t itemsize = src.memview.view.itemsize # <<<<<<<<<<<<<< + * cdef int i + * cdef char order = get_best_order(&src, src_ndim) + */ + __pyx_t_1 = __pyx_v_src.memview->view.itemsize; + __pyx_v_itemsize = __pyx_t_1; + + /* "View.MemoryView":1276 + * cdef size_t itemsize = src.memview.view.itemsize + * cdef int i + * cdef char order = get_best_order(&src, src_ndim) # <<<<<<<<<<<<<< + * cdef bint broadcasting = False + * cdef bint direct_copy = False + */ + __pyx_v_order = __pyx_get_best_slice_order((&__pyx_v_src), __pyx_v_src_ndim); + + /* "View.MemoryView":1277 + * cdef int i + * cdef char order = get_best_order(&src, src_ndim) + * cdef bint broadcasting = False # <<<<<<<<<<<<<< + * cdef bint direct_copy = False + * cdef __Pyx_memviewslice tmp + */ + __pyx_v_broadcasting = 0; + + /* "View.MemoryView":1278 + * cdef char order = get_best_order(&src, src_ndim) + * cdef bint broadcasting = False + * cdef bint direct_copy = False # <<<<<<<<<<<<<< + * cdef __Pyx_memviewslice tmp + * + */ + __pyx_v_direct_copy = 0; + + /* "View.MemoryView":1281 + * cdef __Pyx_memviewslice tmp + * + * if src_ndim < dst_ndim: # <<<<<<<<<<<<<< + * broadcast_leading(&src, src_ndim, dst_ndim) + * elif dst_ndim < src_ndim: + */ + __pyx_t_2 = (__pyx_v_src_ndim < __pyx_v_dst_ndim); + if (__pyx_t_2) { + + /* "View.MemoryView":1282 + * + * if src_ndim < dst_ndim: + * broadcast_leading(&src, src_ndim, dst_ndim) # <<<<<<<<<<<<<< + * elif dst_ndim < src_ndim: + * broadcast_leading(&dst, dst_ndim, src_ndim) + */ + __pyx_memoryview_broadcast_leading((&__pyx_v_src), __pyx_v_src_ndim, __pyx_v_dst_ndim); + + /* "View.MemoryView":1281 + * cdef __Pyx_memviewslice tmp + * + * if src_ndim < dst_ndim: # <<<<<<<<<<<<<< + * broadcast_leading(&src, src_ndim, dst_ndim) + * elif dst_ndim < src_ndim: + */ + goto __pyx_L3; + } + + /* "View.MemoryView":1283 + * if src_ndim < dst_ndim: + * broadcast_leading(&src, src_ndim, dst_ndim) + * elif dst_ndim < src_ndim: # <<<<<<<<<<<<<< + * broadcast_leading(&dst, dst_ndim, src_ndim) + * + */ + __pyx_t_2 = (__pyx_v_dst_ndim < __pyx_v_src_ndim); + if (__pyx_t_2) { + + /* "View.MemoryView":1284 + * broadcast_leading(&src, src_ndim, dst_ndim) + * elif dst_ndim < src_ndim: + * broadcast_leading(&dst, dst_ndim, src_ndim) # <<<<<<<<<<<<<< + * + * cdef int ndim = max(src_ndim, dst_ndim) + */ + __pyx_memoryview_broadcast_leading((&__pyx_v_dst), __pyx_v_dst_ndim, __pyx_v_src_ndim); + + /* "View.MemoryView":1283 + * if src_ndim < dst_ndim: + * broadcast_leading(&src, src_ndim, dst_ndim) + * elif dst_ndim < src_ndim: # <<<<<<<<<<<<<< + * broadcast_leading(&dst, dst_ndim, src_ndim) + * + */ + } + __pyx_L3:; + + /* "View.MemoryView":1286 + * broadcast_leading(&dst, dst_ndim, src_ndim) + * + * cdef int ndim = max(src_ndim, dst_ndim) # <<<<<<<<<<<<<< + * + * for i in range(ndim): + */ + __pyx_t_3 = __pyx_v_dst_ndim; + __pyx_t_4 = __pyx_v_src_ndim; + __pyx_t_2 = (__pyx_t_3 > __pyx_t_4); + if (__pyx_t_2) { + __pyx_t_5 = __pyx_t_3; + } else { + __pyx_t_5 = __pyx_t_4; + } + __pyx_v_ndim = __pyx_t_5; + + /* "View.MemoryView":1288 + * cdef int ndim = max(src_ndim, dst_ndim) + * + * for i in range(ndim): # <<<<<<<<<<<<<< + * if src.shape[i] != dst.shape[i]: + * if src.shape[i] == 1: + */ + __pyx_t_5 = __pyx_v_ndim; + __pyx_t_3 = __pyx_t_5; + for (__pyx_t_4 = 0; __pyx_t_4 < __pyx_t_3; __pyx_t_4+=1) { + __pyx_v_i = __pyx_t_4; + + /* "View.MemoryView":1289 + * + * for i in range(ndim): + * if src.shape[i] != dst.shape[i]: # <<<<<<<<<<<<<< + * if src.shape[i] == 1: + * broadcasting = True + */ + __pyx_t_2 = ((__pyx_v_src.shape[__pyx_v_i]) != (__pyx_v_dst.shape[__pyx_v_i])); + if (__pyx_t_2) { + + /* "View.MemoryView":1290 + * for i in range(ndim): + * if src.shape[i] != dst.shape[i]: + * if src.shape[i] == 1: # <<<<<<<<<<<<<< + * broadcasting = True + * src.strides[i] = 0 + */ + __pyx_t_2 = ((__pyx_v_src.shape[__pyx_v_i]) == 1); + if (__pyx_t_2) { + + /* "View.MemoryView":1291 + * if src.shape[i] != dst.shape[i]: + * if src.shape[i] == 1: + * broadcasting = True # <<<<<<<<<<<<<< + * src.strides[i] = 0 + * else: + */ + __pyx_v_broadcasting = 1; + + /* "View.MemoryView":1292 + * if src.shape[i] == 1: + * broadcasting = True + * src.strides[i] = 0 # <<<<<<<<<<<<<< + * else: + * _err_extents(i, dst.shape[i], src.shape[i]) + */ + (__pyx_v_src.strides[__pyx_v_i]) = 0; + + /* "View.MemoryView":1290 + * for i in range(ndim): + * if src.shape[i] != dst.shape[i]: + * if src.shape[i] == 1: # <<<<<<<<<<<<<< + * broadcasting = True + * src.strides[i] = 0 + */ + goto __pyx_L7; + } + + /* "View.MemoryView":1294 + * src.strides[i] = 0 + * else: + * _err_extents(i, dst.shape[i], src.shape[i]) # <<<<<<<<<<<<<< + * + * if src.suboffsets[i] >= 0: + */ + /*else*/ { + __pyx_t_6 = __pyx_memoryview_err_extents(__pyx_v_i, (__pyx_v_dst.shape[__pyx_v_i]), (__pyx_v_src.shape[__pyx_v_i])); if (unlikely(__pyx_t_6 == ((int)-1))) __PYX_ERR(1, 1294, __pyx_L1_error) + } + __pyx_L7:; + + /* "View.MemoryView":1289 + * + * for i in range(ndim): + * if src.shape[i] != dst.shape[i]: # <<<<<<<<<<<<<< + * if src.shape[i] == 1: + * broadcasting = True + */ + } + + /* "View.MemoryView":1296 + * _err_extents(i, dst.shape[i], src.shape[i]) + * + * if src.suboffsets[i] >= 0: # <<<<<<<<<<<<<< + * _err_dim(PyExc_ValueError, "Dimension %d is not direct", i) + * + */ + __pyx_t_2 = ((__pyx_v_src.suboffsets[__pyx_v_i]) >= 0); + if (__pyx_t_2) { + + /* "View.MemoryView":1297 + * + * if src.suboffsets[i] >= 0: + * _err_dim(PyExc_ValueError, "Dimension %d is not direct", i) # <<<<<<<<<<<<<< + * + * if slices_overlap(&src, &dst, ndim, itemsize): + */ + __pyx_t_6 = __pyx_memoryview_err_dim(PyExc_ValueError, __pyx_kp_s_Dimension_d_is_not_direct, __pyx_v_i); if (unlikely(__pyx_t_6 == ((int)-1))) __PYX_ERR(1, 1297, __pyx_L1_error) + + /* "View.MemoryView":1296 + * _err_extents(i, dst.shape[i], src.shape[i]) + * + * if src.suboffsets[i] >= 0: # <<<<<<<<<<<<<< + * _err_dim(PyExc_ValueError, "Dimension %d is not direct", i) + * + */ + } + } + + /* "View.MemoryView":1299 + * _err_dim(PyExc_ValueError, "Dimension %d is not direct", i) + * + * if slices_overlap(&src, &dst, ndim, itemsize): # <<<<<<<<<<<<<< + * + * if not slice_is_contig(src, order, ndim): + */ + __pyx_t_2 = __pyx_slices_overlap((&__pyx_v_src), (&__pyx_v_dst), __pyx_v_ndim, __pyx_v_itemsize); + if (__pyx_t_2) { + + /* "View.MemoryView":1301 + * if slices_overlap(&src, &dst, ndim, itemsize): + * + * if not slice_is_contig(src, order, ndim): # <<<<<<<<<<<<<< + * order = get_best_order(&dst, ndim) + * + */ + __pyx_t_2 = (!__pyx_memviewslice_is_contig(__pyx_v_src, __pyx_v_order, __pyx_v_ndim)); + if (__pyx_t_2) { + + /* "View.MemoryView":1302 + * + * if not slice_is_contig(src, order, ndim): + * order = get_best_order(&dst, ndim) # <<<<<<<<<<<<<< + * + * tmpdata = copy_data_to_temp(&src, &tmp, order, ndim) + */ + __pyx_v_order = __pyx_get_best_slice_order((&__pyx_v_dst), __pyx_v_ndim); + + /* "View.MemoryView":1301 + * if slices_overlap(&src, &dst, ndim, itemsize): + * + * if not slice_is_contig(src, order, ndim): # <<<<<<<<<<<<<< + * order = get_best_order(&dst, ndim) + * + */ + } + + /* "View.MemoryView":1304 + * order = get_best_order(&dst, ndim) + * + * tmpdata = copy_data_to_temp(&src, &tmp, order, ndim) # <<<<<<<<<<<<<< + * src = tmp + * + */ + __pyx_t_7 = __pyx_memoryview_copy_data_to_temp((&__pyx_v_src), (&__pyx_v_tmp), __pyx_v_order, __pyx_v_ndim); if (unlikely(__pyx_t_7 == ((void *)NULL))) __PYX_ERR(1, 1304, __pyx_L1_error) + __pyx_v_tmpdata = __pyx_t_7; + + /* "View.MemoryView":1305 + * + * tmpdata = copy_data_to_temp(&src, &tmp, order, ndim) + * src = tmp # <<<<<<<<<<<<<< + * + * if not broadcasting: + */ + __pyx_v_src = __pyx_v_tmp; + + /* "View.MemoryView":1299 + * _err_dim(PyExc_ValueError, "Dimension %d is not direct", i) + * + * if slices_overlap(&src, &dst, ndim, itemsize): # <<<<<<<<<<<<<< + * + * if not slice_is_contig(src, order, ndim): + */ + } + + /* "View.MemoryView":1307 + * src = tmp + * + * if not broadcasting: # <<<<<<<<<<<<<< + * + * + */ + __pyx_t_2 = (!__pyx_v_broadcasting); + if (__pyx_t_2) { + + /* "View.MemoryView":1310 + * + * + * if slice_is_contig(src, 'C', ndim): # <<<<<<<<<<<<<< + * direct_copy = slice_is_contig(dst, 'C', ndim) + * elif slice_is_contig(src, 'F', ndim): + */ + __pyx_t_2 = __pyx_memviewslice_is_contig(__pyx_v_src, 'C', __pyx_v_ndim); + if (__pyx_t_2) { + + /* "View.MemoryView":1311 + * + * if slice_is_contig(src, 'C', ndim): + * direct_copy = slice_is_contig(dst, 'C', ndim) # <<<<<<<<<<<<<< + * elif slice_is_contig(src, 'F', ndim): + * direct_copy = slice_is_contig(dst, 'F', ndim) + */ + __pyx_v_direct_copy = __pyx_memviewslice_is_contig(__pyx_v_dst, 'C', __pyx_v_ndim); + + /* "View.MemoryView":1310 + * + * + * if slice_is_contig(src, 'C', ndim): # <<<<<<<<<<<<<< + * direct_copy = slice_is_contig(dst, 'C', ndim) + * elif slice_is_contig(src, 'F', ndim): + */ + goto __pyx_L12; + } + + /* "View.MemoryView":1312 + * if slice_is_contig(src, 'C', ndim): + * direct_copy = slice_is_contig(dst, 'C', ndim) + * elif slice_is_contig(src, 'F', ndim): # <<<<<<<<<<<<<< + * direct_copy = slice_is_contig(dst, 'F', ndim) + * + */ + __pyx_t_2 = __pyx_memviewslice_is_contig(__pyx_v_src, 'F', __pyx_v_ndim); + if (__pyx_t_2) { + + /* "View.MemoryView":1313 + * direct_copy = slice_is_contig(dst, 'C', ndim) + * elif slice_is_contig(src, 'F', ndim): + * direct_copy = slice_is_contig(dst, 'F', ndim) # <<<<<<<<<<<<<< + * + * if direct_copy: + */ + __pyx_v_direct_copy = __pyx_memviewslice_is_contig(__pyx_v_dst, 'F', __pyx_v_ndim); + + /* "View.MemoryView":1312 + * if slice_is_contig(src, 'C', ndim): + * direct_copy = slice_is_contig(dst, 'C', ndim) + * elif slice_is_contig(src, 'F', ndim): # <<<<<<<<<<<<<< + * direct_copy = slice_is_contig(dst, 'F', ndim) + * + */ + } + __pyx_L12:; + + /* "View.MemoryView":1315 + * direct_copy = slice_is_contig(dst, 'F', ndim) + * + * if direct_copy: # <<<<<<<<<<<<<< + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + */ + if (__pyx_v_direct_copy) { + + /* "View.MemoryView":1317 + * if direct_copy: + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) # <<<<<<<<<<<<<< + * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + */ + __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 0); + + /* "View.MemoryView":1318 + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) # <<<<<<<<<<<<<< + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + * free(tmpdata) + */ + (void)(memcpy(__pyx_v_dst.data, __pyx_v_src.data, __pyx_memoryview_slice_get_size((&__pyx_v_src), __pyx_v_ndim))); + + /* "View.MemoryView":1319 + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) # <<<<<<<<<<<<<< + * free(tmpdata) + * return 0 + */ + __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 1); + + /* "View.MemoryView":1320 + * memcpy(dst.data, src.data, slice_get_size(&src, ndim)) + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + * free(tmpdata) # <<<<<<<<<<<<<< + * return 0 + * + */ + free(__pyx_v_tmpdata); + + /* "View.MemoryView":1321 + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + * free(tmpdata) + * return 0 # <<<<<<<<<<<<<< + * + * if order == 'F' == get_best_order(&dst, ndim): + */ + __pyx_r = 0; + goto __pyx_L0; + + /* "View.MemoryView":1315 + * direct_copy = slice_is_contig(dst, 'F', ndim) + * + * if direct_copy: # <<<<<<<<<<<<<< + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + */ + } + + /* "View.MemoryView":1307 + * src = tmp + * + * if not broadcasting: # <<<<<<<<<<<<<< + * + * + */ + } + + /* "View.MemoryView":1323 + * return 0 + * + * if order == 'F' == get_best_order(&dst, ndim): # <<<<<<<<<<<<<< + * + * + */ + __pyx_t_2 = (__pyx_v_order == 'F'); + if (__pyx_t_2) { + __pyx_t_2 = ('F' == __pyx_get_best_slice_order((&__pyx_v_dst), __pyx_v_ndim)); + } + if (__pyx_t_2) { + + /* "View.MemoryView":1326 + * + * + * transpose_memslice(&src) # <<<<<<<<<<<<<< + * transpose_memslice(&dst) + * + */ + __pyx_t_5 = __pyx_memslice_transpose((&__pyx_v_src)); if (unlikely(__pyx_t_5 == ((int)-1))) __PYX_ERR(1, 1326, __pyx_L1_error) + + /* "View.MemoryView":1327 + * + * transpose_memslice(&src) + * transpose_memslice(&dst) # <<<<<<<<<<<<<< + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + */ + __pyx_t_5 = __pyx_memslice_transpose((&__pyx_v_dst)); if (unlikely(__pyx_t_5 == ((int)-1))) __PYX_ERR(1, 1327, __pyx_L1_error) + + /* "View.MemoryView":1323 + * return 0 + * + * if order == 'F' == get_best_order(&dst, ndim): # <<<<<<<<<<<<<< + * + * + */ + } + + /* "View.MemoryView":1329 + * transpose_memslice(&dst) + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) # <<<<<<<<<<<<<< + * copy_strided_to_strided(&src, &dst, ndim, itemsize) + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + */ + __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 0); + + /* "View.MemoryView":1330 + * + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + * copy_strided_to_strided(&src, &dst, ndim, itemsize) # <<<<<<<<<<<<<< + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + * + */ + copy_strided_to_strided((&__pyx_v_src), (&__pyx_v_dst), __pyx_v_ndim, __pyx_v_itemsize); + + /* "View.MemoryView":1331 + * refcount_copying(&dst, dtype_is_object, ndim, inc=False) + * copy_strided_to_strided(&src, &dst, ndim, itemsize) + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) # <<<<<<<<<<<<<< + * + * free(tmpdata) + */ + __pyx_memoryview_refcount_copying((&__pyx_v_dst), __pyx_v_dtype_is_object, __pyx_v_ndim, 1); + + /* "View.MemoryView":1333 + * refcount_copying(&dst, dtype_is_object, ndim, inc=True) + * + * free(tmpdata) # <<<<<<<<<<<<<< + * return 0 + * + */ + free(__pyx_v_tmpdata); + + /* "View.MemoryView":1334 + * + * free(tmpdata) + * return 0 # <<<<<<<<<<<<<< + * + * @cname('__pyx_memoryview_broadcast_leading') + */ + __pyx_r = 0; + goto __pyx_L0; + + /* "View.MemoryView":1265 + * + * @cname('__pyx_memoryview_copy_contents') + * cdef int memoryview_copy_contents(__Pyx_memviewslice src, # <<<<<<<<<<<<<< + * __Pyx_memviewslice dst, + * int src_ndim, int dst_ndim, + */ + + /* function exit code */ + __pyx_L1_error:; + #ifdef WITH_THREAD + __pyx_gilstate_save = __Pyx_PyGILState_Ensure(); + #endif + __Pyx_AddTraceback("View.MemoryView.memoryview_copy_contents", __pyx_clineno, __pyx_lineno, __pyx_filename); + __pyx_r = -1; + #ifdef WITH_THREAD + __Pyx_PyGILState_Release(__pyx_gilstate_save); + #endif + __pyx_L0:; + return __pyx_r; +} + +/* "View.MemoryView":1337 + * + * @cname('__pyx_memoryview_broadcast_leading') + * cdef void broadcast_leading(__Pyx_memviewslice *mslice, # <<<<<<<<<<<<<< + * int ndim, + * int ndim_other) noexcept nogil: + */ + +static void __pyx_memoryview_broadcast_leading(__Pyx_memviewslice *__pyx_v_mslice, int __pyx_v_ndim, int __pyx_v_ndim_other) { + int __pyx_v_i; + int __pyx_v_offset; + int __pyx_t_1; + int __pyx_t_2; + int __pyx_t_3; + + /* "View.MemoryView":1341 + * int ndim_other) noexcept nogil: + * cdef int i + * cdef int offset = ndim_other - ndim # <<<<<<<<<<<<<< + * + * for i in range(ndim - 1, -1, -1): + */ + __pyx_v_offset = (__pyx_v_ndim_other - __pyx_v_ndim); + + /* "View.MemoryView":1343 + * cdef int offset = ndim_other - ndim + * + * for i in range(ndim - 1, -1, -1): # <<<<<<<<<<<<<< + * mslice.shape[i + offset] = mslice.shape[i] + * mslice.strides[i + offset] = mslice.strides[i] + */ + for (__pyx_t_1 = (__pyx_v_ndim - 1); __pyx_t_1 > -1; __pyx_t_1-=1) { + __pyx_v_i = __pyx_t_1; + + /* "View.MemoryView":1344 + * + * for i in range(ndim - 1, -1, -1): + * mslice.shape[i + offset] = mslice.shape[i] # <<<<<<<<<<<<<< + * mslice.strides[i + offset] = mslice.strides[i] + * mslice.suboffsets[i + offset] = mslice.suboffsets[i] + */ + (__pyx_v_mslice->shape[(__pyx_v_i + __pyx_v_offset)]) = (__pyx_v_mslice->shape[__pyx_v_i]); + + /* "View.MemoryView":1345 + * for i in range(ndim - 1, -1, -1): + * mslice.shape[i + offset] = mslice.shape[i] + * mslice.strides[i + offset] = mslice.strides[i] # <<<<<<<<<<<<<< + * mslice.suboffsets[i + offset] = mslice.suboffsets[i] + * + */ + (__pyx_v_mslice->strides[(__pyx_v_i + __pyx_v_offset)]) = (__pyx_v_mslice->strides[__pyx_v_i]); + + /* "View.MemoryView":1346 + * mslice.shape[i + offset] = mslice.shape[i] + * mslice.strides[i + offset] = mslice.strides[i] + * mslice.suboffsets[i + offset] = mslice.suboffsets[i] # <<<<<<<<<<<<<< + * + * for i in range(offset): + */ + (__pyx_v_mslice->suboffsets[(__pyx_v_i + __pyx_v_offset)]) = (__pyx_v_mslice->suboffsets[__pyx_v_i]); + } + + /* "View.MemoryView":1348 + * mslice.suboffsets[i + offset] = mslice.suboffsets[i] + * + * for i in range(offset): # <<<<<<<<<<<<<< + * mslice.shape[i] = 1 + * mslice.strides[i] = mslice.strides[0] + */ + __pyx_t_1 = __pyx_v_offset; + __pyx_t_2 = __pyx_t_1; + for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { + __pyx_v_i = __pyx_t_3; + + /* "View.MemoryView":1349 + * + * for i in range(offset): + * mslice.shape[i] = 1 # <<<<<<<<<<<<<< + * mslice.strides[i] = mslice.strides[0] + * mslice.suboffsets[i] = -1 + */ + (__pyx_v_mslice->shape[__pyx_v_i]) = 1; + + /* "View.MemoryView":1350 + * for i in range(offset): + * mslice.shape[i] = 1 + * mslice.strides[i] = mslice.strides[0] # <<<<<<<<<<<<<< + * mslice.suboffsets[i] = -1 + * + */ + (__pyx_v_mslice->strides[__pyx_v_i]) = (__pyx_v_mslice->strides[0]); + + /* "View.MemoryView":1351 + * mslice.shape[i] = 1 + * mslice.strides[i] = mslice.strides[0] + * mslice.suboffsets[i] = -1 # <<<<<<<<<<<<<< + * + * + */ + (__pyx_v_mslice->suboffsets[__pyx_v_i]) = -1L; + } + + /* "View.MemoryView":1337 + * + * @cname('__pyx_memoryview_broadcast_leading') + * cdef void broadcast_leading(__Pyx_memviewslice *mslice, # <<<<<<<<<<<<<< + * int ndim, + * int ndim_other) noexcept nogil: + */ + + /* function exit code */ +} + +/* "View.MemoryView":1359 + * + * @cname('__pyx_memoryview_refcount_copying') + * cdef void refcount_copying(__Pyx_memviewslice *dst, bint dtype_is_object, int ndim, bint inc) noexcept nogil: # <<<<<<<<<<<<<< + * + * if dtype_is_object: + */ + +static void __pyx_memoryview_refcount_copying(__Pyx_memviewslice *__pyx_v_dst, int __pyx_v_dtype_is_object, int __pyx_v_ndim, int __pyx_v_inc) { + + /* "View.MemoryView":1361 + * cdef void refcount_copying(__Pyx_memviewslice *dst, bint dtype_is_object, int ndim, bint inc) noexcept nogil: + * + * if dtype_is_object: # <<<<<<<<<<<<<< + * refcount_objects_in_slice_with_gil(dst.data, dst.shape, dst.strides, ndim, inc) + * + */ + if (__pyx_v_dtype_is_object) { + + /* "View.MemoryView":1362 + * + * if dtype_is_object: + * refcount_objects_in_slice_with_gil(dst.data, dst.shape, dst.strides, ndim, inc) # <<<<<<<<<<<<<< + * + * @cname('__pyx_memoryview_refcount_objects_in_slice_with_gil') + */ + __pyx_memoryview_refcount_objects_in_slice_with_gil(__pyx_v_dst->data, __pyx_v_dst->shape, __pyx_v_dst->strides, __pyx_v_ndim, __pyx_v_inc); + + /* "View.MemoryView":1361 + * cdef void refcount_copying(__Pyx_memviewslice *dst, bint dtype_is_object, int ndim, bint inc) noexcept nogil: + * + * if dtype_is_object: # <<<<<<<<<<<<<< + * refcount_objects_in_slice_with_gil(dst.data, dst.shape, dst.strides, ndim, inc) + * + */ + } + + /* "View.MemoryView":1359 + * + * @cname('__pyx_memoryview_refcount_copying') + * cdef void refcount_copying(__Pyx_memviewslice *dst, bint dtype_is_object, int ndim, bint inc) noexcept nogil: # <<<<<<<<<<<<<< + * + * if dtype_is_object: + */ + + /* function exit code */ +} + +/* "View.MemoryView":1365 + * + * @cname('__pyx_memoryview_refcount_objects_in_slice_with_gil') + * cdef void refcount_objects_in_slice_with_gil(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< + * Py_ssize_t *strides, int ndim, + * bint inc) noexcept with gil: + */ + +static void __pyx_memoryview_refcount_objects_in_slice_with_gil(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { + #ifdef WITH_THREAD + PyGILState_STATE __pyx_gilstate_save = __Pyx_PyGILState_Ensure(); + #endif + + /* "View.MemoryView":1368 + * Py_ssize_t *strides, int ndim, + * bint inc) noexcept with gil: + * refcount_objects_in_slice(data, shape, strides, ndim, inc) # <<<<<<<<<<<<<< + * + * @cname('__pyx_memoryview_refcount_objects_in_slice') + */ + __pyx_memoryview_refcount_objects_in_slice(__pyx_v_data, __pyx_v_shape, __pyx_v_strides, __pyx_v_ndim, __pyx_v_inc); + + /* "View.MemoryView":1365 + * + * @cname('__pyx_memoryview_refcount_objects_in_slice_with_gil') + * cdef void refcount_objects_in_slice_with_gil(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< + * Py_ssize_t *strides, int ndim, + * bint inc) noexcept with gil: + */ + + /* function exit code */ + #ifdef WITH_THREAD + __Pyx_PyGILState_Release(__pyx_gilstate_save); + #endif +} + +/* "View.MemoryView":1371 + * + * @cname('__pyx_memoryview_refcount_objects_in_slice') + * cdef void refcount_objects_in_slice(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< + * Py_ssize_t *strides, int ndim, bint inc) noexcept: + * cdef Py_ssize_t i + */ + +static void __pyx_memoryview_refcount_objects_in_slice(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, int __pyx_v_inc) { + CYTHON_UNUSED Py_ssize_t __pyx_v_i; + Py_ssize_t __pyx_v_stride; + Py_ssize_t __pyx_t_1; + Py_ssize_t __pyx_t_2; + Py_ssize_t __pyx_t_3; + int __pyx_t_4; + + /* "View.MemoryView":1374 + * Py_ssize_t *strides, int ndim, bint inc) noexcept: + * cdef Py_ssize_t i + * cdef Py_ssize_t stride = strides[0] # <<<<<<<<<<<<<< + * + * for i in range(shape[0]): + */ + __pyx_v_stride = (__pyx_v_strides[0]); + + /* "View.MemoryView":1376 + * cdef Py_ssize_t stride = strides[0] + * + * for i in range(shape[0]): # <<<<<<<<<<<<<< + * if ndim == 1: + * if inc: + */ + __pyx_t_1 = (__pyx_v_shape[0]); + __pyx_t_2 = __pyx_t_1; + for (__pyx_t_3 = 0; __pyx_t_3 < __pyx_t_2; __pyx_t_3+=1) { + __pyx_v_i = __pyx_t_3; + + /* "View.MemoryView":1377 + * + * for i in range(shape[0]): + * if ndim == 1: # <<<<<<<<<<<<<< + * if inc: + * Py_INCREF(( data)[0]) + */ + __pyx_t_4 = (__pyx_v_ndim == 1); + if (__pyx_t_4) { + + /* "View.MemoryView":1378 + * for i in range(shape[0]): + * if ndim == 1: + * if inc: # <<<<<<<<<<<<<< + * Py_INCREF(( data)[0]) + * else: + */ + if (__pyx_v_inc) { + + /* "View.MemoryView":1379 + * if ndim == 1: + * if inc: + * Py_INCREF(( data)[0]) # <<<<<<<<<<<<<< + * else: + * Py_DECREF(( data)[0]) + */ + Py_INCREF((((PyObject **)__pyx_v_data)[0])); + + /* "View.MemoryView":1378 + * for i in range(shape[0]): + * if ndim == 1: + * if inc: # <<<<<<<<<<<<<< + * Py_INCREF(( data)[0]) + * else: + */ + goto __pyx_L6; + } + + /* "View.MemoryView":1381 + * Py_INCREF(( data)[0]) + * else: + * Py_DECREF(( data)[0]) # <<<<<<<<<<<<<< + * else: + * refcount_objects_in_slice(data, shape + 1, strides + 1, ndim - 1, inc) + */ + /*else*/ { + Py_DECREF((((PyObject **)__pyx_v_data)[0])); + } + __pyx_L6:; + + /* "View.MemoryView":1377 + * + * for i in range(shape[0]): + * if ndim == 1: # <<<<<<<<<<<<<< + * if inc: + * Py_INCREF(( data)[0]) + */ + goto __pyx_L5; + } + + /* "View.MemoryView":1383 + * Py_DECREF(( data)[0]) + * else: + * refcount_objects_in_slice(data, shape + 1, strides + 1, ndim - 1, inc) # <<<<<<<<<<<<<< + * + * data += stride + */ + /*else*/ { + __pyx_memoryview_refcount_objects_in_slice(__pyx_v_data, (__pyx_v_shape + 1), (__pyx_v_strides + 1), (__pyx_v_ndim - 1), __pyx_v_inc); + } + __pyx_L5:; + + /* "View.MemoryView":1385 + * refcount_objects_in_slice(data, shape + 1, strides + 1, ndim - 1, inc) + * + * data += stride # <<<<<<<<<<<<<< + * + * + */ + __pyx_v_data = (__pyx_v_data + __pyx_v_stride); + } + + /* "View.MemoryView":1371 + * + * @cname('__pyx_memoryview_refcount_objects_in_slice') + * cdef void refcount_objects_in_slice(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< + * Py_ssize_t *strides, int ndim, bint inc) noexcept: + * cdef Py_ssize_t i + */ + + /* function exit code */ +} + +/* "View.MemoryView":1391 + * + * @cname('__pyx_memoryview_slice_assign_scalar') + * cdef void slice_assign_scalar(__Pyx_memviewslice *dst, int ndim, # <<<<<<<<<<<<<< + * size_t itemsize, void *item, + * bint dtype_is_object) noexcept nogil: + */ + +static void __pyx_memoryview_slice_assign_scalar(__Pyx_memviewslice *__pyx_v_dst, int __pyx_v_ndim, size_t __pyx_v_itemsize, void *__pyx_v_item, int __pyx_v_dtype_is_object) { + + /* "View.MemoryView":1394 + * size_t itemsize, void *item, + * bint dtype_is_object) noexcept nogil: + * refcount_copying(dst, dtype_is_object, ndim, inc=False) # <<<<<<<<<<<<<< + * _slice_assign_scalar(dst.data, dst.shape, dst.strides, ndim, itemsize, item) + * refcount_copying(dst, dtype_is_object, ndim, inc=True) + */ + __pyx_memoryview_refcount_copying(__pyx_v_dst, __pyx_v_dtype_is_object, __pyx_v_ndim, 0); + + /* "View.MemoryView":1395 + * bint dtype_is_object) noexcept nogil: + * refcount_copying(dst, dtype_is_object, ndim, inc=False) + * _slice_assign_scalar(dst.data, dst.shape, dst.strides, ndim, itemsize, item) # <<<<<<<<<<<<<< + * refcount_copying(dst, dtype_is_object, ndim, inc=True) + * + */ + __pyx_memoryview__slice_assign_scalar(__pyx_v_dst->data, __pyx_v_dst->shape, __pyx_v_dst->strides, __pyx_v_ndim, __pyx_v_itemsize, __pyx_v_item); + + /* "View.MemoryView":1396 + * refcount_copying(dst, dtype_is_object, ndim, inc=False) + * _slice_assign_scalar(dst.data, dst.shape, dst.strides, ndim, itemsize, item) + * refcount_copying(dst, dtype_is_object, ndim, inc=True) # <<<<<<<<<<<<<< + * + * + */ + __pyx_memoryview_refcount_copying(__pyx_v_dst, __pyx_v_dtype_is_object, __pyx_v_ndim, 1); + + /* "View.MemoryView":1391 + * + * @cname('__pyx_memoryview_slice_assign_scalar') + * cdef void slice_assign_scalar(__Pyx_memviewslice *dst, int ndim, # <<<<<<<<<<<<<< + * size_t itemsize, void *item, + * bint dtype_is_object) noexcept nogil: + */ + + /* function exit code */ +} + +/* "View.MemoryView":1400 + * + * @cname('__pyx_memoryview__slice_assign_scalar') + * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< + * Py_ssize_t *strides, int ndim, + * size_t itemsize, void *item) noexcept nogil: + */ + +static void __pyx_memoryview__slice_assign_scalar(char *__pyx_v_data, Py_ssize_t *__pyx_v_shape, Py_ssize_t *__pyx_v_strides, int __pyx_v_ndim, size_t __pyx_v_itemsize, void *__pyx_v_item) { + CYTHON_UNUSED Py_ssize_t __pyx_v_i; + Py_ssize_t __pyx_v_stride; + Py_ssize_t __pyx_v_extent; + int __pyx_t_1; + Py_ssize_t __pyx_t_2; + Py_ssize_t __pyx_t_3; + Py_ssize_t __pyx_t_4; + + /* "View.MemoryView":1404 + * size_t itemsize, void *item) noexcept nogil: + * cdef Py_ssize_t i + * cdef Py_ssize_t stride = strides[0] # <<<<<<<<<<<<<< + * cdef Py_ssize_t extent = shape[0] + * + */ + __pyx_v_stride = (__pyx_v_strides[0]); + + /* "View.MemoryView":1405 + * cdef Py_ssize_t i + * cdef Py_ssize_t stride = strides[0] + * cdef Py_ssize_t extent = shape[0] # <<<<<<<<<<<<<< + * + * if ndim == 1: + */ + __pyx_v_extent = (__pyx_v_shape[0]); + + /* "View.MemoryView":1407 + * cdef Py_ssize_t extent = shape[0] + * + * if ndim == 1: # <<<<<<<<<<<<<< + * for i in range(extent): + * memcpy(data, item, itemsize) + */ + __pyx_t_1 = (__pyx_v_ndim == 1); + if (__pyx_t_1) { + + /* "View.MemoryView":1408 + * + * if ndim == 1: + * for i in range(extent): # <<<<<<<<<<<<<< + * memcpy(data, item, itemsize) + * data += stride + */ + __pyx_t_2 = __pyx_v_extent; + __pyx_t_3 = __pyx_t_2; + for (__pyx_t_4 = 0; __pyx_t_4 < __pyx_t_3; __pyx_t_4+=1) { + __pyx_v_i = __pyx_t_4; + + /* "View.MemoryView":1409 + * if ndim == 1: + * for i in range(extent): + * memcpy(data, item, itemsize) # <<<<<<<<<<<<<< + * data += stride + * else: + */ + (void)(memcpy(__pyx_v_data, __pyx_v_item, __pyx_v_itemsize)); + + /* "View.MemoryView":1410 + * for i in range(extent): + * memcpy(data, item, itemsize) + * data += stride # <<<<<<<<<<<<<< + * else: + * for i in range(extent): + */ + __pyx_v_data = (__pyx_v_data + __pyx_v_stride); + } + + /* "View.MemoryView":1407 + * cdef Py_ssize_t extent = shape[0] + * + * if ndim == 1: # <<<<<<<<<<<<<< + * for i in range(extent): + * memcpy(data, item, itemsize) + */ + goto __pyx_L3; + } + + /* "View.MemoryView":1412 + * data += stride + * else: + * for i in range(extent): # <<<<<<<<<<<<<< + * _slice_assign_scalar(data, shape + 1, strides + 1, ndim - 1, itemsize, item) + * data += stride + */ + /*else*/ { + __pyx_t_2 = __pyx_v_extent; + __pyx_t_3 = __pyx_t_2; + for (__pyx_t_4 = 0; __pyx_t_4 < __pyx_t_3; __pyx_t_4+=1) { + __pyx_v_i = __pyx_t_4; + + /* "View.MemoryView":1413 + * else: + * for i in range(extent): + * _slice_assign_scalar(data, shape + 1, strides + 1, ndim - 1, itemsize, item) # <<<<<<<<<<<<<< + * data += stride + * + */ + __pyx_memoryview__slice_assign_scalar(__pyx_v_data, (__pyx_v_shape + 1), (__pyx_v_strides + 1), (__pyx_v_ndim - 1), __pyx_v_itemsize, __pyx_v_item); + + /* "View.MemoryView":1414 + * for i in range(extent): + * _slice_assign_scalar(data, shape + 1, strides + 1, ndim - 1, itemsize, item) + * data += stride # <<<<<<<<<<<<<< + * + * + */ + __pyx_v_data = (__pyx_v_data + __pyx_v_stride); + } + } + __pyx_L3:; + + /* "View.MemoryView":1400 + * + * @cname('__pyx_memoryview__slice_assign_scalar') + * cdef void _slice_assign_scalar(char *data, Py_ssize_t *shape, # <<<<<<<<<<<<<< + * Py_ssize_t *strides, int ndim, + * size_t itemsize, void *item) noexcept nogil: + */ + + /* function exit code */ +} + +/* "(tree fragment)":1 + * def __pyx_unpickle_Enum(__pyx_type, long __pyx_checksum, __pyx_state): # <<<<<<<<<<<<<< + * cdef object __pyx_PickleError + * cdef object __pyx_result + */ + +/* Python wrapper */ +static PyObject *__pyx_pw_15View_dot_MemoryView_1__pyx_unpickle_Enum(PyObject *__pyx_self, +#if CYTHON_METH_FASTCALL +PyObject *const *__pyx_args, Py_ssize_t __pyx_nargs, PyObject *__pyx_kwds +#else +PyObject *__pyx_args, PyObject *__pyx_kwds +#endif +); /*proto*/ +static PyMethodDef __pyx_mdef_15View_dot_MemoryView_1__pyx_unpickle_Enum = {"__pyx_unpickle_Enum", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw_15View_dot_MemoryView_1__pyx_unpickle_Enum, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}; +static PyObject *__pyx_pw_15View_dot_MemoryView_1__pyx_unpickle_Enum(PyObject *__pyx_self, +#if CYTHON_METH_FASTCALL +PyObject *const *__pyx_args, Py_ssize_t __pyx_nargs, PyObject *__pyx_kwds +#else +PyObject *__pyx_args, PyObject *__pyx_kwds +#endif +) { + PyObject *__pyx_v___pyx_type = 0; + long __pyx_v___pyx_checksum; + PyObject *__pyx_v___pyx_state = 0; + #if 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#if PY_MAJOR_VERSION < 3 + 0, /*bf_getcharbuffer*/ + #endif + __pyx_array_getbuffer, /*bf_getbuffer*/ + 0, /*bf_releasebuffer*/ +}; +#endif +static PyType_Slot __pyx_type___pyx_array_slots[] = { + {Py_tp_dealloc, (void *)__pyx_tp_dealloc_array}, + {Py_sq_length, (void *)__pyx_array___len__}, + {Py_sq_item, (void *)__pyx_sq_item_array}, + {Py_mp_length, (void *)__pyx_array___len__}, + {Py_mp_subscript, (void *)__pyx_array___getitem__}, + {Py_mp_ass_subscript, (void *)__pyx_mp_ass_subscript_array}, + {Py_tp_getattro, (void *)__pyx_tp_getattro_array}, + #if defined(Py_bf_getbuffer) + {Py_bf_getbuffer, (void *)__pyx_array_getbuffer}, + #endif + {Py_tp_methods, (void *)__pyx_methods_array}, + {Py_tp_getset, (void *)__pyx_getsets_array}, + {Py_tp_new, (void *)__pyx_tp_new_array}, + {0, 0}, +}; +static PyType_Spec __pyx_type___pyx_array_spec = { + "DockQ.operations.array", + sizeof(struct __pyx_array_obj), + 0, + 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Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_SEQUENCE, /*tp_flags*/ + 0, /*tp_doc*/ + 0, /*tp_traverse*/ + 0, /*tp_clear*/ + 0, /*tp_richcompare*/ + 0, /*tp_weaklistoffset*/ + 0, /*tp_iter*/ + 0, /*tp_iternext*/ + __pyx_methods_array, /*tp_methods*/ + 0, /*tp_members*/ + __pyx_getsets_array, /*tp_getset*/ + 0, /*tp_base*/ + 0, /*tp_dict*/ + 0, /*tp_descr_get*/ + 0, /*tp_descr_set*/ + #if !CYTHON_USE_TYPE_SPECS + 0, /*tp_dictoffset*/ + #endif + 0, /*tp_init*/ + 0, /*tp_alloc*/ + __pyx_tp_new_array, /*tp_new*/ + 0, /*tp_free*/ + 0, /*tp_is_gc*/ + 0, /*tp_bases*/ + 0, /*tp_mro*/ + 0, /*tp_cache*/ + 0, /*tp_subclasses*/ + 0, /*tp_weaklist*/ + 0, /*tp_del*/ + 0, /*tp_version_tag*/ + #if PY_VERSION_HEX >= 0x030400a1 + #if CYTHON_USE_TP_FINALIZE + 0, /*tp_finalize*/ + #else + NULL, /*tp_finalize*/ + #endif + #endif + #if PY_VERSION_HEX >= 0x030800b1 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM >= 0x07030800) + 0, /*tp_vectorcall*/ + #endif + #if __PYX_NEED_TP_PRINT_SLOT == 1 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030C0000 + 0, /*tp_watched*/ + #endif + #if PY_VERSION_HEX >= 0x030d00A4 + 0, /*tp_versions_used*/ + #endif + #if CYTHON_COMPILING_IN_PYPY && PY_VERSION_HEX >= 0x03090000 && PY_VERSION_HEX < 0x030a0000 + 0, /*tp_pypy_flags*/ + #endif +}; +#endif + +static PyObject *__pyx_tp_new_Enum(PyTypeObject *t, CYTHON_UNUSED PyObject *a, CYTHON_UNUSED PyObject *k) { + struct __pyx_MemviewEnum_obj *p; + PyObject *o; + #if CYTHON_COMPILING_IN_LIMITED_API + allocfunc alloc_func = (allocfunc)PyType_GetSlot(t, Py_tp_alloc); + o = alloc_func(t, 0); + #else + if (likely(!__Pyx_PyType_HasFeature(t, Py_TPFLAGS_IS_ABSTRACT))) { + o = (*t->tp_alloc)(t, 0); + } else { + o = (PyObject *) PyBaseObject_Type.tp_new(t, __pyx_empty_tuple, 0); + } + if (unlikely(!o)) return 0; + #endif + p = ((struct __pyx_MemviewEnum_obj *)o); + p->name = Py_None; Py_INCREF(Py_None); + return o; +} + +static void __pyx_tp_dealloc_Enum(PyObject *o) { + struct __pyx_MemviewEnum_obj *p = (struct __pyx_MemviewEnum_obj *)o; + #if CYTHON_USE_TP_FINALIZE + if (unlikely((PY_VERSION_HEX >= 0x03080000 || __Pyx_PyType_HasFeature(Py_TYPE(o), Py_TPFLAGS_HAVE_FINALIZE)) && __Pyx_PyObject_GetSlot(o, tp_finalize, destructor)) && !__Pyx_PyObject_GC_IsFinalized(o)) { + if (__Pyx_PyObject_GetSlot(o, tp_dealloc, destructor) == __pyx_tp_dealloc_Enum) { + if (PyObject_CallFinalizerFromDealloc(o)) return; + } + } + #endif + PyObject_GC_UnTrack(o); + Py_CLEAR(p->name); + #if CYTHON_USE_TYPE_SLOTS || CYTHON_COMPILING_IN_PYPY + (*Py_TYPE(o)->tp_free)(o); + #else + { + freefunc tp_free = (freefunc)PyType_GetSlot(Py_TYPE(o), Py_tp_free); + if (tp_free) tp_free(o); + } + #endif +} + +static int __pyx_tp_traverse_Enum(PyObject *o, visitproc v, void *a) { + int e; + struct __pyx_MemviewEnum_obj *p = (struct __pyx_MemviewEnum_obj *)o; + if (p->name) { + e = (*v)(p->name, a); if (e) return e; + } + return 0; +} + +static int __pyx_tp_clear_Enum(PyObject *o) { + PyObject* tmp; + struct __pyx_MemviewEnum_obj *p = (struct __pyx_MemviewEnum_obj *)o; + tmp = ((PyObject*)p->name); + p->name = Py_None; Py_INCREF(Py_None); + Py_XDECREF(tmp); + return 0; +} + +static PyObject *__pyx_specialmethod___pyx_MemviewEnum___repr__(PyObject *self, CYTHON_UNUSED PyObject *arg) { + return __pyx_MemviewEnum___repr__(self); +} + +static PyMethodDef __pyx_methods_Enum[] = { + {"__repr__", (PyCFunction)__pyx_specialmethod___pyx_MemviewEnum___repr__, METH_NOARGS|METH_COEXIST, 0}, + {"__reduce_cython__", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw___pyx_MemviewEnum_1__reduce_cython__, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"__setstate_cython__", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw___pyx_MemviewEnum_3__setstate_cython__, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {0, 0, 0, 0} +}; +#if CYTHON_USE_TYPE_SPECS +static PyType_Slot __pyx_type___pyx_MemviewEnum_slots[] = { + {Py_tp_dealloc, (void *)__pyx_tp_dealloc_Enum}, + {Py_tp_repr, (void *)__pyx_MemviewEnum___repr__}, + {Py_tp_traverse, (void *)__pyx_tp_traverse_Enum}, + {Py_tp_clear, (void *)__pyx_tp_clear_Enum}, + {Py_tp_methods, (void *)__pyx_methods_Enum}, + {Py_tp_init, (void *)__pyx_MemviewEnum___init__}, + {Py_tp_new, (void *)__pyx_tp_new_Enum}, + {0, 0}, +}; +static PyType_Spec __pyx_type___pyx_MemviewEnum_spec = { + "DockQ.operations.Enum", + sizeof(struct __pyx_MemviewEnum_obj), + 0, + Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, + __pyx_type___pyx_MemviewEnum_slots, +}; +#else + +static PyTypeObject __pyx_type___pyx_MemviewEnum = { + PyVarObject_HEAD_INIT(0, 0) + "DockQ.operations.""Enum", /*tp_name*/ + sizeof(struct __pyx_MemviewEnum_obj), /*tp_basicsize*/ + 0, /*tp_itemsize*/ + __pyx_tp_dealloc_Enum, /*tp_dealloc*/ + #if PY_VERSION_HEX < 0x030800b4 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030800b4 + 0, /*tp_vectorcall_offset*/ + #endif + 0, /*tp_getattr*/ + 0, /*tp_setattr*/ + #if PY_MAJOR_VERSION < 3 + 0, /*tp_compare*/ + #endif + #if PY_MAJOR_VERSION >= 3 + 0, /*tp_as_async*/ + #endif + __pyx_MemviewEnum___repr__, /*tp_repr*/ + 0, /*tp_as_number*/ + 0, /*tp_as_sequence*/ + 0, /*tp_as_mapping*/ + 0, /*tp_hash*/ + 0, /*tp_call*/ + 0, /*tp_str*/ + 0, /*tp_getattro*/ + 0, /*tp_setattro*/ + 0, /*tp_as_buffer*/ + Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, /*tp_flags*/ + 0, /*tp_doc*/ + __pyx_tp_traverse_Enum, /*tp_traverse*/ + __pyx_tp_clear_Enum, /*tp_clear*/ + 0, /*tp_richcompare*/ + 0, /*tp_weaklistoffset*/ + 0, /*tp_iter*/ + 0, /*tp_iternext*/ + __pyx_methods_Enum, /*tp_methods*/ + 0, /*tp_members*/ + 0, /*tp_getset*/ + 0, /*tp_base*/ + 0, /*tp_dict*/ + 0, /*tp_descr_get*/ + 0, /*tp_descr_set*/ + #if !CYTHON_USE_TYPE_SPECS + 0, /*tp_dictoffset*/ + #endif + __pyx_MemviewEnum___init__, /*tp_init*/ + 0, /*tp_alloc*/ + __pyx_tp_new_Enum, /*tp_new*/ + 0, /*tp_free*/ + 0, /*tp_is_gc*/ + 0, /*tp_bases*/ + 0, /*tp_mro*/ + 0, /*tp_cache*/ + 0, /*tp_subclasses*/ + 0, /*tp_weaklist*/ + 0, /*tp_del*/ + 0, /*tp_version_tag*/ + #if PY_VERSION_HEX >= 0x030400a1 + #if CYTHON_USE_TP_FINALIZE + 0, /*tp_finalize*/ + #else + NULL, /*tp_finalize*/ + #endif + #endif + #if PY_VERSION_HEX >= 0x030800b1 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM >= 0x07030800) + 0, /*tp_vectorcall*/ + #endif + #if __PYX_NEED_TP_PRINT_SLOT == 1 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030C0000 + 0, /*tp_watched*/ + #endif + #if PY_VERSION_HEX >= 0x030d00A4 + 0, /*tp_versions_used*/ + #endif + #if CYTHON_COMPILING_IN_PYPY && PY_VERSION_HEX >= 0x03090000 && PY_VERSION_HEX < 0x030a0000 + 0, /*tp_pypy_flags*/ + #endif +}; +#endif +static struct __pyx_vtabstruct_memoryview __pyx_vtable_memoryview; + +static PyObject *__pyx_tp_new_memoryview(PyTypeObject *t, PyObject 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__Pyx_PyType_HasFeature(Py_TYPE(o), Py_TPFLAGS_HAVE_FINALIZE)) && __Pyx_PyObject_GetSlot(o, tp_finalize, destructor)) && !__Pyx_PyObject_GC_IsFinalized(o)) { + if (__Pyx_PyObject_GetSlot(o, tp_dealloc, destructor) == __pyx_tp_dealloc_memoryview) { + if (PyObject_CallFinalizerFromDealloc(o)) return; + } + } + #endif + PyObject_GC_UnTrack(o); + { + PyObject *etype, *eval, *etb; + PyErr_Fetch(&etype, &eval, &etb); + __Pyx_SET_REFCNT(o, Py_REFCNT(o) + 1); + __pyx_memoryview___dealloc__(o); + __Pyx_SET_REFCNT(o, Py_REFCNT(o) - 1); + PyErr_Restore(etype, eval, etb); + } + Py_CLEAR(p->obj); + Py_CLEAR(p->_size); + Py_CLEAR(p->_array_interface); + #if CYTHON_USE_TYPE_SLOTS || CYTHON_COMPILING_IN_PYPY + (*Py_TYPE(o)->tp_free)(o); + #else + { + freefunc tp_free = (freefunc)PyType_GetSlot(Py_TYPE(o), Py_tp_free); + if (tp_free) tp_free(o); + } + #endif +} + +static int __pyx_tp_traverse_memoryview(PyObject *o, visitproc v, void *a) { + int e; + struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; + if (p->obj) { + e = (*v)(p->obj, a); if (e) return e; + } + if (p->_size) { + e = (*v)(p->_size, a); if (e) return e; + } + if (p->_array_interface) { + e = (*v)(p->_array_interface, a); if (e) return e; + } + if (p->view.obj) { + e = (*v)(p->view.obj, a); if (e) return e; + } + return 0; +} + +static int __pyx_tp_clear_memoryview(PyObject *o) { + PyObject* tmp; + struct __pyx_memoryview_obj *p = (struct __pyx_memoryview_obj *)o; + tmp = ((PyObject*)p->obj); + p->obj = Py_None; Py_INCREF(Py_None); + Py_XDECREF(tmp); + tmp = ((PyObject*)p->_size); + p->_size = Py_None; Py_INCREF(Py_None); + Py_XDECREF(tmp); + tmp = ((PyObject*)p->_array_interface); + p->_array_interface = Py_None; Py_INCREF(Py_None); + Py_XDECREF(tmp); + Py_CLEAR(p->view.obj); + return 0; +} +static PyObject *__pyx_sq_item_memoryview(PyObject *o, Py_ssize_t i) { + PyObject *r; + PyObject *x = PyInt_FromSsize_t(i); if(!x) return 0; + r = Py_TYPE(o)->tp_as_mapping->mp_subscript(o, x); + Py_DECREF(x); + return r; +} + +static int __pyx_mp_ass_subscript_memoryview(PyObject *o, PyObject *i, PyObject *v) { + if (v) { + return __pyx_memoryview___setitem__(o, i, v); + } + else { + __Pyx_TypeName o_type_name; + o_type_name = __Pyx_PyType_GetName(Py_TYPE(o)); + PyErr_Format(PyExc_NotImplementedError, + "Subscript deletion not supported by " __Pyx_FMT_TYPENAME, o_type_name); + __Pyx_DECREF_TypeName(o_type_name); + return -1; + } +} + +static PyObject *__pyx_getprop___pyx_memoryview_T(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_1T_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_base(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_4base_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_shape(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_5shape_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_strides(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_7strides_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_suboffsets(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_10suboffsets_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_ndim(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_4ndim_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_itemsize(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_8itemsize_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_nbytes(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_6nbytes_1__get__(o); +} + +static PyObject *__pyx_getprop___pyx_memoryview_size(PyObject *o, CYTHON_UNUSED void *x) { + return __pyx_pw_15View_dot_MemoryView_10memoryview_4size_1__get__(o); +} + +static PyObject *__pyx_specialmethod___pyx_memoryview___repr__(PyObject *self, CYTHON_UNUSED PyObject *arg) { + return __pyx_memoryview___repr__(self); +} + +static PyMethodDef __pyx_methods_memoryview[] = { + {"__repr__", (PyCFunction)__pyx_specialmethod___pyx_memoryview___repr__, METH_NOARGS|METH_COEXIST, 0}, + {"is_c_contig", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_memoryview_is_c_contig, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"is_f_contig", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_memoryview_is_f_contig, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"copy", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_memoryview_copy, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"copy_fortran", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_memoryview_copy_fortran, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"__reduce_cython__", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw___pyx_memoryview_1__reduce_cython__, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"__setstate_cython__", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw___pyx_memoryview_3__setstate_cython__, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {0, 0, 0, 0} +}; + +static struct PyGetSetDef __pyx_getsets_memoryview[] = { + {(char *)"T", __pyx_getprop___pyx_memoryview_T, 0, (char *)0, 0}, + {(char *)"base", __pyx_getprop___pyx_memoryview_base, 0, (char *)0, 0}, + {(char *)"shape", __pyx_getprop___pyx_memoryview_shape, 0, (char *)0, 0}, + {(char *)"strides", __pyx_getprop___pyx_memoryview_strides, 0, (char *)0, 0}, + {(char *)"suboffsets", __pyx_getprop___pyx_memoryview_suboffsets, 0, (char *)0, 0}, + {(char *)"ndim", __pyx_getprop___pyx_memoryview_ndim, 0, (char *)0, 0}, + {(char *)"itemsize", __pyx_getprop___pyx_memoryview_itemsize, 0, (char *)0, 0}, + {(char *)"nbytes", __pyx_getprop___pyx_memoryview_nbytes, 0, (char *)0, 0}, + {(char *)"size", __pyx_getprop___pyx_memoryview_size, 0, (char *)0, 0}, + {0, 0, 0, 0, 0} +}; +#if CYTHON_USE_TYPE_SPECS +#if !CYTHON_COMPILING_IN_LIMITED_API + +static PyBufferProcs __pyx_tp_as_buffer_memoryview = { + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getreadbuffer*/ + #endif + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getwritebuffer*/ + #endif + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getsegcount*/ + #endif + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getcharbuffer*/ + #endif + __pyx_memoryview_getbuffer, /*bf_getbuffer*/ + 0, /*bf_releasebuffer*/ +}; +#endif +static PyType_Slot __pyx_type___pyx_memoryview_slots[] = { + {Py_tp_dealloc, (void *)__pyx_tp_dealloc_memoryview}, + {Py_tp_repr, (void *)__pyx_memoryview___repr__}, + {Py_sq_length, (void *)__pyx_memoryview___len__}, + {Py_sq_item, (void *)__pyx_sq_item_memoryview}, + {Py_mp_length, (void *)__pyx_memoryview___len__}, + {Py_mp_subscript, (void *)__pyx_memoryview___getitem__}, + {Py_mp_ass_subscript, (void *)__pyx_mp_ass_subscript_memoryview}, + {Py_tp_str, (void *)__pyx_memoryview___str__}, + #if defined(Py_bf_getbuffer) + {Py_bf_getbuffer, (void *)__pyx_memoryview_getbuffer}, + #endif + {Py_tp_traverse, (void *)__pyx_tp_traverse_memoryview}, + {Py_tp_clear, (void *)__pyx_tp_clear_memoryview}, + {Py_tp_methods, (void *)__pyx_methods_memoryview}, + {Py_tp_getset, (void *)__pyx_getsets_memoryview}, + {Py_tp_new, (void *)__pyx_tp_new_memoryview}, + {0, 0}, +}; +static PyType_Spec __pyx_type___pyx_memoryview_spec = { + "DockQ.operations.memoryview", + sizeof(struct __pyx_memoryview_obj), + 0, + Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, + __pyx_type___pyx_memoryview_slots, +}; +#else + +static PySequenceMethods __pyx_tp_as_sequence_memoryview = { + __pyx_memoryview___len__, /*sq_length*/ + 0, /*sq_concat*/ + 0, /*sq_repeat*/ + __pyx_sq_item_memoryview, /*sq_item*/ + 0, /*sq_slice*/ + 0, /*sq_ass_item*/ + 0, /*sq_ass_slice*/ + 0, /*sq_contains*/ + 0, /*sq_inplace_concat*/ + 0, /*sq_inplace_repeat*/ +}; + +static PyMappingMethods __pyx_tp_as_mapping_memoryview = { + __pyx_memoryview___len__, /*mp_length*/ + __pyx_memoryview___getitem__, /*mp_subscript*/ + __pyx_mp_ass_subscript_memoryview, /*mp_ass_subscript*/ +}; + +static PyBufferProcs __pyx_tp_as_buffer_memoryview = { + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getreadbuffer*/ + #endif + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getwritebuffer*/ + #endif + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getsegcount*/ + #endif + #if PY_MAJOR_VERSION < 3 + 0, /*bf_getcharbuffer*/ + #endif + __pyx_memoryview_getbuffer, /*bf_getbuffer*/ + 0, /*bf_releasebuffer*/ +}; + +static PyTypeObject __pyx_type___pyx_memoryview = { + PyVarObject_HEAD_INIT(0, 0) + "DockQ.operations.""memoryview", /*tp_name*/ + sizeof(struct __pyx_memoryview_obj), /*tp_basicsize*/ + 0, /*tp_itemsize*/ + __pyx_tp_dealloc_memoryview, /*tp_dealloc*/ + #if PY_VERSION_HEX < 0x030800b4 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030800b4 + 0, /*tp_vectorcall_offset*/ + #endif + 0, /*tp_getattr*/ + 0, /*tp_setattr*/ + #if PY_MAJOR_VERSION < 3 + 0, /*tp_compare*/ + #endif + #if PY_MAJOR_VERSION >= 3 + 0, /*tp_as_async*/ + #endif + __pyx_memoryview___repr__, /*tp_repr*/ + 0, /*tp_as_number*/ + &__pyx_tp_as_sequence_memoryview, /*tp_as_sequence*/ + &__pyx_tp_as_mapping_memoryview, /*tp_as_mapping*/ + 0, /*tp_hash*/ + 0, /*tp_call*/ + __pyx_memoryview___str__, /*tp_str*/ + 0, /*tp_getattro*/ + 0, /*tp_setattro*/ + &__pyx_tp_as_buffer_memoryview, /*tp_as_buffer*/ + Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC, /*tp_flags*/ + 0, /*tp_doc*/ + __pyx_tp_traverse_memoryview, /*tp_traverse*/ + __pyx_tp_clear_memoryview, /*tp_clear*/ + 0, /*tp_richcompare*/ + 0, /*tp_weaklistoffset*/ + 0, /*tp_iter*/ + 0, /*tp_iternext*/ + __pyx_methods_memoryview, /*tp_methods*/ + 0, /*tp_members*/ + __pyx_getsets_memoryview, /*tp_getset*/ + 0, /*tp_base*/ + 0, /*tp_dict*/ + 0, /*tp_descr_get*/ + 0, /*tp_descr_set*/ + #if !CYTHON_USE_TYPE_SPECS + 0, /*tp_dictoffset*/ + #endif + 0, /*tp_init*/ + 0, /*tp_alloc*/ + __pyx_tp_new_memoryview, /*tp_new*/ + 0, /*tp_free*/ + 0, /*tp_is_gc*/ + 0, /*tp_bases*/ + 0, /*tp_mro*/ + 0, /*tp_cache*/ + 0, /*tp_subclasses*/ + 0, /*tp_weaklist*/ + 0, /*tp_del*/ + 0, /*tp_version_tag*/ + #if PY_VERSION_HEX >= 0x030400a1 + #if CYTHON_USE_TP_FINALIZE + 0, /*tp_finalize*/ + #else + NULL, /*tp_finalize*/ + #endif + #endif + #if PY_VERSION_HEX >= 0x030800b1 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM >= 0x07030800) + 0, /*tp_vectorcall*/ + #endif + #if __PYX_NEED_TP_PRINT_SLOT == 1 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030C0000 + 0, /*tp_watched*/ + #endif + #if PY_VERSION_HEX >= 0x030d00A4 + 0, /*tp_versions_used*/ + #endif + #if CYTHON_COMPILING_IN_PYPY && PY_VERSION_HEX >= 0x03090000 && PY_VERSION_HEX < 0x030a0000 + 0, /*tp_pypy_flags*/ + #endif +}; +#endif +static struct __pyx_vtabstruct__memoryviewslice __pyx_vtable__memoryviewslice; + +static PyObject *__pyx_tp_new__memoryviewslice(PyTypeObject *t, PyObject *a, PyObject *k) { + struct __pyx_memoryviewslice_obj *p; + PyObject *o = __pyx_tp_new_memoryview(t, a, k); + if (unlikely(!o)) return 0; + p = ((struct __pyx_memoryviewslice_obj *)o); + p->__pyx_base.__pyx_vtab = (struct __pyx_vtabstruct_memoryview*)__pyx_vtabptr__memoryviewslice; + p->from_object = Py_None; Py_INCREF(Py_None); + p->from_slice.memview = NULL; + return o; +} + +static void __pyx_tp_dealloc__memoryviewslice(PyObject *o) { + struct __pyx_memoryviewslice_obj *p = (struct __pyx_memoryviewslice_obj *)o; + #if CYTHON_USE_TP_FINALIZE + if (unlikely((PY_VERSION_HEX >= 0x03080000 || __Pyx_PyType_HasFeature(Py_TYPE(o), Py_TPFLAGS_HAVE_FINALIZE)) && __Pyx_PyObject_GetSlot(o, tp_finalize, destructor)) && !__Pyx_PyObject_GC_IsFinalized(o)) { + if (__Pyx_PyObject_GetSlot(o, tp_dealloc, destructor) == __pyx_tp_dealloc__memoryviewslice) { + if (PyObject_CallFinalizerFromDealloc(o)) return; + } + } + #endif + PyObject_GC_UnTrack(o); + { + PyObject *etype, *eval, *etb; + PyErr_Fetch(&etype, &eval, &etb); + __Pyx_SET_REFCNT(o, Py_REFCNT(o) + 1); + __pyx_memoryviewslice___dealloc__(o); + __Pyx_SET_REFCNT(o, Py_REFCNT(o) - 1); + PyErr_Restore(etype, eval, etb); + } + Py_CLEAR(p->from_object); + PyObject_GC_Track(o); + __pyx_tp_dealloc_memoryview(o); +} + +static int __pyx_tp_traverse__memoryviewslice(PyObject *o, visitproc v, void *a) { + int e; + struct __pyx_memoryviewslice_obj *p = (struct __pyx_memoryviewslice_obj *)o; + e = __pyx_tp_traverse_memoryview(o, v, a); if (e) return e; + if (p->from_object) { + e = (*v)(p->from_object, a); if (e) return e; + } + return 0; +} + +static int __pyx_tp_clear__memoryviewslice(PyObject *o) { + PyObject* tmp; + struct __pyx_memoryviewslice_obj *p = (struct __pyx_memoryviewslice_obj *)o; + __pyx_tp_clear_memoryview(o); + tmp = ((PyObject*)p->from_object); + p->from_object = Py_None; Py_INCREF(Py_None); + Py_XDECREF(tmp); + __PYX_XCLEAR_MEMVIEW(&p->from_slice, 1); + return 0; +} + +static PyMethodDef __pyx_methods__memoryviewslice[] = { + {"__reduce_cython__", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw___pyx_memoryviewslice_1__reduce_cython__, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {"__setstate_cython__", (PyCFunction)(void*)(__Pyx_PyCFunction_FastCallWithKeywords)__pyx_pw___pyx_memoryviewslice_3__setstate_cython__, __Pyx_METH_FASTCALL|METH_KEYWORDS, 0}, + {0, 0, 0, 0} +}; +#if CYTHON_USE_TYPE_SPECS +static PyType_Slot __pyx_type___pyx_memoryviewslice_slots[] = { + {Py_tp_dealloc, (void *)__pyx_tp_dealloc__memoryviewslice}, + {Py_tp_doc, (void *)PyDoc_STR("Internal class for passing memoryview slices to Python")}, + {Py_tp_traverse, (void *)__pyx_tp_traverse__memoryviewslice}, + {Py_tp_clear, (void *)__pyx_tp_clear__memoryviewslice}, + {Py_tp_methods, (void *)__pyx_methods__memoryviewslice}, + {Py_tp_new, (void *)__pyx_tp_new__memoryviewslice}, + {0, 0}, +}; +static PyType_Spec __pyx_type___pyx_memoryviewslice_spec = { + "DockQ.operations._memoryviewslice", + sizeof(struct __pyx_memoryviewslice_obj), + 0, + Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC|Py_TPFLAGS_SEQUENCE, + __pyx_type___pyx_memoryviewslice_slots, +}; +#else + +static PyTypeObject __pyx_type___pyx_memoryviewslice = { + PyVarObject_HEAD_INIT(0, 0) + "DockQ.operations.""_memoryviewslice", /*tp_name*/ + sizeof(struct __pyx_memoryviewslice_obj), /*tp_basicsize*/ + 0, /*tp_itemsize*/ + __pyx_tp_dealloc__memoryviewslice, /*tp_dealloc*/ + #if PY_VERSION_HEX < 0x030800b4 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030800b4 + 0, /*tp_vectorcall_offset*/ + #endif + 0, /*tp_getattr*/ + 0, /*tp_setattr*/ + #if PY_MAJOR_VERSION < 3 + 0, /*tp_compare*/ + #endif + #if PY_MAJOR_VERSION >= 3 + 0, /*tp_as_async*/ + #endif + #if CYTHON_COMPILING_IN_PYPY || 0 + __pyx_memoryview___repr__, /*tp_repr*/ + #else + 0, /*tp_repr*/ + #endif + 0, /*tp_as_number*/ + 0, /*tp_as_sequence*/ + 0, /*tp_as_mapping*/ + 0, /*tp_hash*/ + 0, /*tp_call*/ + #if CYTHON_COMPILING_IN_PYPY || 0 + __pyx_memoryview___str__, /*tp_str*/ + #else + 0, /*tp_str*/ + #endif + 0, /*tp_getattro*/ + 0, /*tp_setattro*/ + 0, /*tp_as_buffer*/ + Py_TPFLAGS_DEFAULT|Py_TPFLAGS_HAVE_VERSION_TAG|Py_TPFLAGS_CHECKTYPES|Py_TPFLAGS_HAVE_NEWBUFFER|Py_TPFLAGS_BASETYPE|Py_TPFLAGS_HAVE_GC|Py_TPFLAGS_SEQUENCE, /*tp_flags*/ + PyDoc_STR("Internal class for passing memoryview slices to Python"), /*tp_doc*/ + __pyx_tp_traverse__memoryviewslice, /*tp_traverse*/ + __pyx_tp_clear__memoryviewslice, /*tp_clear*/ + 0, /*tp_richcompare*/ + 0, /*tp_weaklistoffset*/ + 0, /*tp_iter*/ + 0, /*tp_iternext*/ + __pyx_methods__memoryviewslice, /*tp_methods*/ + 0, /*tp_members*/ + 0, /*tp_getset*/ + 0, /*tp_base*/ + 0, /*tp_dict*/ + 0, /*tp_descr_get*/ + 0, /*tp_descr_set*/ + #if !CYTHON_USE_TYPE_SPECS + 0, /*tp_dictoffset*/ + #endif + 0, /*tp_init*/ + 0, /*tp_alloc*/ + __pyx_tp_new__memoryviewslice, /*tp_new*/ + 0, /*tp_free*/ + 0, /*tp_is_gc*/ + 0, /*tp_bases*/ + 0, /*tp_mro*/ + 0, /*tp_cache*/ + 0, /*tp_subclasses*/ + 0, /*tp_weaklist*/ + 0, /*tp_del*/ + 0, /*tp_version_tag*/ + #if PY_VERSION_HEX >= 0x030400a1 + #if CYTHON_USE_TP_FINALIZE + 0, /*tp_finalize*/ + #else + NULL, /*tp_finalize*/ + #endif + #endif + #if PY_VERSION_HEX >= 0x030800b1 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM >= 0x07030800) + 0, /*tp_vectorcall*/ + #endif + #if __PYX_NEED_TP_PRINT_SLOT == 1 + 0, /*tp_print*/ + #endif + #if PY_VERSION_HEX >= 0x030C0000 + 0, /*tp_watched*/ + #endif + #if PY_VERSION_HEX >= 0x030d00A4 + 0, /*tp_versions_used*/ + #endif + #if CYTHON_COMPILING_IN_PYPY && PY_VERSION_HEX >= 0x03090000 && PY_VERSION_HEX < 0x030a0000 + 0, /*tp_pypy_flags*/ + #endif +}; +#endif + +static PyMethodDef __pyx_methods[] = { + {0, 0, 0, 0} +}; +#ifndef CYTHON_SMALL_CODE +#if defined(__clang__) + #define CYTHON_SMALL_CODE +#elif defined(__GNUC__) && (__GNUC__ > 4 || (__GNUC__ == 4 && __GNUC_MINOR__ >= 3)) + #define CYTHON_SMALL_CODE __attribute__((cold)) +#else + #define CYTHON_SMALL_CODE +#endif +#endif +/* #### Code section: pystring_table ### */ + +static int __Pyx_CreateStringTabAndInitStrings(void) { + __Pyx_StringTabEntry __pyx_string_tab[] = { + {&__pyx_kp_u_, __pyx_k_, sizeof(__pyx_k_), 0, 1, 0, 0}, + {&__pyx_n_s_ASCII, __pyx_k_ASCII, sizeof(__pyx_k_ASCII), 0, 0, 1, 1}, + {&__pyx_kp_s_All_dimensions_preceding_dimensi, __pyx_k_All_dimensions_preceding_dimensi, sizeof(__pyx_k_All_dimensions_preceding_dimensi), 0, 0, 1, 0}, + {&__pyx_n_s_AssertionError, __pyx_k_AssertionError, sizeof(__pyx_k_AssertionError), 0, 0, 1, 1}, + {&__pyx_kp_s_Buffer_view_does_not_expose_stri, __pyx_k_Buffer_view_does_not_expose_stri, sizeof(__pyx_k_Buffer_view_does_not_expose_stri), 0, 0, 1, 0}, + {&__pyx_kp_s_Can_only_create_a_buffer_that_is, __pyx_k_Can_only_create_a_buffer_that_is, sizeof(__pyx_k_Can_only_create_a_buffer_that_is), 0, 0, 1, 0}, + {&__pyx_kp_s_Cannot_assign_to_read_only_memor, __pyx_k_Cannot_assign_to_read_only_memor, sizeof(__pyx_k_Cannot_assign_to_read_only_memor), 0, 0, 1, 0}, + {&__pyx_kp_s_Cannot_create_writable_memory_vi, __pyx_k_Cannot_create_writable_memory_vi, sizeof(__pyx_k_Cannot_create_writable_memory_vi), 0, 0, 1, 0}, + {&__pyx_kp_u_Cannot_index_with_type, __pyx_k_Cannot_index_with_type, sizeof(__pyx_k_Cannot_index_with_type), 0, 1, 0, 0}, + {&__pyx_kp_s_Cannot_transpose_memoryview_with, __pyx_k_Cannot_transpose_memoryview_with, sizeof(__pyx_k_Cannot_transpose_memoryview_with), 0, 0, 1, 0}, + {&__pyx_kp_s_Dimension_d_is_not_direct, __pyx_k_Dimension_d_is_not_direct, sizeof(__pyx_k_Dimension_d_is_not_direct), 0, 0, 1, 0}, + {&__pyx_n_s_DockQ_operations, __pyx_k_DockQ_operations, sizeof(__pyx_k_DockQ_operations), 0, 0, 1, 1}, + {&__pyx_n_s_Ellipsis, __pyx_k_Ellipsis, sizeof(__pyx_k_Ellipsis), 0, 0, 1, 1}, + {&__pyx_kp_s_Empty_shape_tuple_for_cython_arr, __pyx_k_Empty_shape_tuple_for_cython_arr, sizeof(__pyx_k_Empty_shape_tuple_for_cython_arr), 0, 0, 1, 0}, + {&__pyx_n_s_ImportError, __pyx_k_ImportError, sizeof(__pyx_k_ImportError), 0, 0, 1, 1}, + {&__pyx_kp_s_Incompatible_checksums_0x_x_vs_0, __pyx_k_Incompatible_checksums_0x_x_vs_0, sizeof(__pyx_k_Incompatible_checksums_0x_x_vs_0), 0, 0, 1, 0}, + {&__pyx_n_s_IndexError, __pyx_k_IndexError, sizeof(__pyx_k_IndexError), 0, 0, 1, 1}, + {&__pyx_kp_s_Index_out_of_bounds_axis_d, __pyx_k_Index_out_of_bounds_axis_d, sizeof(__pyx_k_Index_out_of_bounds_axis_d), 0, 0, 1, 0}, + {&__pyx_kp_s_Indirect_dimensions_not_supporte, __pyx_k_Indirect_dimensions_not_supporte, sizeof(__pyx_k_Indirect_dimensions_not_supporte), 0, 0, 1, 0}, + {&__pyx_kp_u_Invalid_mode_expected_c_or_fortr, __pyx_k_Invalid_mode_expected_c_or_fortr, sizeof(__pyx_k_Invalid_mode_expected_c_or_fortr), 0, 1, 0, 0}, + {&__pyx_kp_u_Invalid_shape_in_axis, __pyx_k_Invalid_shape_in_axis, sizeof(__pyx_k_Invalid_shape_in_axis), 0, 1, 0, 0}, + {&__pyx_n_s_MemoryError, __pyx_k_MemoryError, sizeof(__pyx_k_MemoryError), 0, 0, 1, 1}, + {&__pyx_kp_s_MemoryView_of_r_at_0x_x, __pyx_k_MemoryView_of_r_at_0x_x, sizeof(__pyx_k_MemoryView_of_r_at_0x_x), 0, 0, 1, 0}, + {&__pyx_kp_s_MemoryView_of_r_object, __pyx_k_MemoryView_of_r_object, sizeof(__pyx_k_MemoryView_of_r_object), 0, 0, 1, 0}, + {&__pyx_n_b_O, __pyx_k_O, sizeof(__pyx_k_O), 0, 0, 0, 1}, + {&__pyx_kp_u_Out_of_bounds_on_buffer_access_a, __pyx_k_Out_of_bounds_on_buffer_access_a, sizeof(__pyx_k_Out_of_bounds_on_buffer_access_a), 0, 1, 0, 0}, + {&__pyx_n_s_PickleError, __pyx_k_PickleError, sizeof(__pyx_k_PickleError), 0, 0, 1, 1}, + {&__pyx_n_s_Sequence, __pyx_k_Sequence, sizeof(__pyx_k_Sequence), 0, 0, 1, 1}, + {&__pyx_kp_s_Step_may_not_be_zero_axis_d, __pyx_k_Step_may_not_be_zero_axis_d, sizeof(__pyx_k_Step_may_not_be_zero_axis_d), 0, 0, 1, 0}, + {&__pyx_n_s_TypeError, __pyx_k_TypeError, sizeof(__pyx_k_TypeError), 0, 0, 1, 1}, + {&__pyx_kp_s_Unable_to_convert_item_to_object, __pyx_k_Unable_to_convert_item_to_object, sizeof(__pyx_k_Unable_to_convert_item_to_object), 0, 0, 1, 0}, + {&__pyx_n_s_ValueError, __pyx_k_ValueError, sizeof(__pyx_k_ValueError), 0, 0, 1, 1}, + {&__pyx_n_s_View_MemoryView, __pyx_k_View_MemoryView, sizeof(__pyx_k_View_MemoryView), 0, 0, 1, 1}, + {&__pyx_kp_u__2, __pyx_k__2, sizeof(__pyx_k__2), 0, 1, 0, 0}, + {&__pyx_n_s__26, __pyx_k__26, sizeof(__pyx_k__26), 0, 0, 1, 1}, + {&__pyx_n_s__3, __pyx_k__3, sizeof(__pyx_k__3), 0, 0, 1, 1}, + {&__pyx_kp_u__6, __pyx_k__6, sizeof(__pyx_k__6), 0, 1, 0, 0}, + {&__pyx_kp_u__7, __pyx_k__7, sizeof(__pyx_k__7), 0, 1, 0, 0}, + {&__pyx_n_s_abc, __pyx_k_abc, sizeof(__pyx_k_abc), 0, 0, 1, 1}, + {&__pyx_n_s_allocate_buffer, __pyx_k_allocate_buffer, sizeof(__pyx_k_allocate_buffer), 0, 0, 1, 1}, + {&__pyx_kp_u_and, __pyx_k_and, sizeof(__pyx_k_and), 0, 1, 0, 0}, + {&__pyx_n_s_asyncio_coroutines, __pyx_k_asyncio_coroutines, sizeof(__pyx_k_asyncio_coroutines), 0, 0, 1, 1}, + {&__pyx_n_s_atom_coordinates1, __pyx_k_atom_coordinates1, sizeof(__pyx_k_atom_coordinates1), 0, 0, 1, 1}, + {&__pyx_n_s_atom_coordinates2, __pyx_k_atom_coordinates2, sizeof(__pyx_k_atom_coordinates2), 0, 0, 1, 1}, + {&__pyx_n_s_atoms_per_res1, __pyx_k_atoms_per_res1, sizeof(__pyx_k_atoms_per_res1), 0, 0, 1, 1}, + {&__pyx_n_s_atoms_per_res2, __pyx_k_atoms_per_res2, sizeof(__pyx_k_atoms_per_res2), 0, 0, 1, 1}, + {&__pyx_n_s_base, __pyx_k_base, sizeof(__pyx_k_base), 0, 0, 1, 1}, + {&__pyx_n_s_c, __pyx_k_c, sizeof(__pyx_k_c), 0, 0, 1, 1}, + {&__pyx_n_u_c, __pyx_k_c, sizeof(__pyx_k_c), 0, 1, 0, 1}, + {&__pyx_n_s_class, __pyx_k_class, sizeof(__pyx_k_class), 0, 0, 1, 1}, + {&__pyx_n_s_class_getitem, __pyx_k_class_getitem, sizeof(__pyx_k_class_getitem), 0, 0, 1, 1}, + {&__pyx_n_s_cline_in_traceback, __pyx_k_cline_in_traceback, sizeof(__pyx_k_cline_in_traceback), 0, 0, 1, 1}, + {&__pyx_n_s_collections, __pyx_k_collections, sizeof(__pyx_k_collections), 0, 0, 1, 1}, + {&__pyx_kp_s_collections_abc, __pyx_k_collections_abc, sizeof(__pyx_k_collections_abc), 0, 0, 1, 0}, + {&__pyx_kp_s_contiguous_and_direct, __pyx_k_contiguous_and_direct, sizeof(__pyx_k_contiguous_and_direct), 0, 0, 1, 0}, + {&__pyx_kp_s_contiguous_and_indirect, __pyx_k_contiguous_and_indirect, sizeof(__pyx_k_contiguous_and_indirect), 0, 0, 1, 0}, + {&__pyx_n_s_count, __pyx_k_count, sizeof(__pyx_k_count), 0, 0, 1, 1}, + {&__pyx_n_s_cum_i_atoms, __pyx_k_cum_i_atoms, sizeof(__pyx_k_cum_i_atoms), 0, 0, 1, 1}, + {&__pyx_n_s_cum_i_atoms_end, __pyx_k_cum_i_atoms_end, sizeof(__pyx_k_cum_i_atoms_end), 0, 0, 1, 1}, + {&__pyx_n_s_cum_j_atoms, __pyx_k_cum_j_atoms, sizeof(__pyx_k_cum_j_atoms), 0, 0, 1, 1}, + {&__pyx_n_s_cum_j_atoms_end, __pyx_k_cum_j_atoms_end, sizeof(__pyx_k_cum_j_atoms_end), 0, 0, 1, 1}, + {&__pyx_n_s_dict, __pyx_k_dict, sizeof(__pyx_k_dict), 0, 0, 1, 1}, + {&__pyx_kp_u_disable, __pyx_k_disable, sizeof(__pyx_k_disable), 0, 1, 0, 0}, + {&__pyx_n_s_dtype, __pyx_k_dtype, sizeof(__pyx_k_dtype), 0, 0, 1, 1}, + {&__pyx_n_s_dtype_is_object, __pyx_k_dtype_is_object, sizeof(__pyx_k_dtype_is_object), 0, 0, 1, 1}, + {&__pyx_kp_u_enable, __pyx_k_enable, sizeof(__pyx_k_enable), 0, 1, 0, 0}, + {&__pyx_n_s_encode, __pyx_k_encode, sizeof(__pyx_k_encode), 0, 0, 1, 1}, + {&__pyx_n_s_enumerate, __pyx_k_enumerate, sizeof(__pyx_k_enumerate), 0, 0, 1, 1}, + {&__pyx_n_s_error, __pyx_k_error, sizeof(__pyx_k_error), 0, 0, 1, 1}, + {&__pyx_n_s_flags, __pyx_k_flags, sizeof(__pyx_k_flags), 0, 0, 1, 1}, + {&__pyx_n_s_float32, __pyx_k_float32, sizeof(__pyx_k_float32), 0, 0, 1, 1}, + {&__pyx_n_s_format, __pyx_k_format, sizeof(__pyx_k_format), 0, 0, 1, 1}, + {&__pyx_n_s_fortran, __pyx_k_fortran, sizeof(__pyx_k_fortran), 0, 0, 1, 1}, + {&__pyx_n_u_fortran, __pyx_k_fortran, sizeof(__pyx_k_fortran), 0, 1, 0, 1}, + {&__pyx_kp_u_gc, __pyx_k_gc, sizeof(__pyx_k_gc), 0, 1, 0, 0}, + {&__pyx_n_s_get_fnat_stats, __pyx_k_get_fnat_stats, sizeof(__pyx_k_get_fnat_stats), 0, 0, 1, 1}, + {&__pyx_n_s_getstate, __pyx_k_getstate, sizeof(__pyx_k_getstate), 0, 0, 1, 1}, + {&__pyx_kp_u_got, __pyx_k_got, sizeof(__pyx_k_got), 0, 1, 0, 0}, + {&__pyx_kp_u_got_differing_extents_in_dimensi, __pyx_k_got_differing_extents_in_dimensi, sizeof(__pyx_k_got_differing_extents_in_dimensi), 0, 1, 0, 0}, + {&__pyx_n_s_i, __pyx_k_i, sizeof(__pyx_k_i), 0, 0, 1, 1}, + {&__pyx_n_s_i_atoms, __pyx_k_i_atoms, sizeof(__pyx_k_i_atoms), 0, 0, 1, 1}, + {&__pyx_n_s_id, __pyx_k_id, sizeof(__pyx_k_id), 0, 0, 1, 1}, + {&__pyx_n_s_import, __pyx_k_import, sizeof(__pyx_k_import), 0, 0, 1, 1}, + {&__pyx_n_s_index, __pyx_k_index, sizeof(__pyx_k_index), 0, 0, 1, 1}, + {&__pyx_n_s_initializing, __pyx_k_initializing, sizeof(__pyx_k_initializing), 0, 0, 1, 1}, + {&__pyx_n_s_is_coroutine, __pyx_k_is_coroutine, sizeof(__pyx_k_is_coroutine), 0, 0, 1, 1}, + {&__pyx_kp_u_isenabled, __pyx_k_isenabled, sizeof(__pyx_k_isenabled), 0, 1, 0, 0}, + {&__pyx_n_s_itemsize, __pyx_k_itemsize, sizeof(__pyx_k_itemsize), 0, 0, 1, 1}, + {&__pyx_kp_s_itemsize_0_for_cython_array, __pyx_k_itemsize_0_for_cython_array, sizeof(__pyx_k_itemsize_0_for_cython_array), 0, 0, 1, 0}, + {&__pyx_n_s_j, __pyx_k_j, sizeof(__pyx_k_j), 0, 0, 1, 1}, + {&__pyx_n_s_j_atoms, __pyx_k_j_atoms, sizeof(__pyx_k_j_atoms), 0, 0, 1, 1}, + {&__pyx_n_s_main, __pyx_k_main, sizeof(__pyx_k_main), 0, 0, 1, 1}, + {&__pyx_n_s_memview, __pyx_k_memview, sizeof(__pyx_k_memview), 0, 0, 1, 1}, + {&__pyx_n_s_min_d, __pyx_k_min_d, sizeof(__pyx_k_min_d), 0, 0, 1, 1}, + {&__pyx_n_s_mode, __pyx_k_mode, sizeof(__pyx_k_mode), 0, 0, 1, 1}, + {&__pyx_n_s_model_res_distances, __pyx_k_model_res_distances, sizeof(__pyx_k_model_res_distances), 0, 0, 1, 1}, + {&__pyx_n_s_n_model_contacts, __pyx_k_n_model_contacts, sizeof(__pyx_k_n_model_contacts), 0, 0, 1, 1}, + {&__pyx_n_s_n_native_contacts, __pyx_k_n_native_contacts, sizeof(__pyx_k_n_native_contacts), 0, 0, 1, 1}, + {&__pyx_n_s_n_non_native_contacts, __pyx_k_n_non_native_contacts, sizeof(__pyx_k_n_non_native_contacts), 0, 0, 1, 1}, + {&__pyx_n_s_n_res_i, __pyx_k_n_res_i, sizeof(__pyx_k_n_res_i), 0, 0, 1, 1}, + {&__pyx_n_s_n_res_j, __pyx_k_n_res_j, sizeof(__pyx_k_n_res_j), 0, 0, 1, 1}, + {&__pyx_n_s_n_shared_contacts, __pyx_k_n_shared_contacts, sizeof(__pyx_k_n_shared_contacts), 0, 0, 1, 1}, + {&__pyx_n_s_name, __pyx_k_name, sizeof(__pyx_k_name), 0, 0, 1, 1}, + {&__pyx_n_s_name_2, __pyx_k_name_2, sizeof(__pyx_k_name_2), 0, 0, 1, 1}, + {&__pyx_n_s_native_res_distances, __pyx_k_native_res_distances, sizeof(__pyx_k_native_res_distances), 0, 0, 1, 1}, + {&__pyx_n_s_native_shape_0, __pyx_k_native_shape_0, sizeof(__pyx_k_native_shape_0), 0, 0, 1, 1}, + {&__pyx_n_s_native_shape_1, __pyx_k_native_shape_1, sizeof(__pyx_k_native_shape_1), 0, 0, 1, 1}, + {&__pyx_n_s_ndim, __pyx_k_ndim, sizeof(__pyx_k_ndim), 0, 0, 1, 1}, + {&__pyx_n_s_new, __pyx_k_new, sizeof(__pyx_k_new), 0, 0, 1, 1}, + {&__pyx_kp_s_no_default___reduce___due_to_non, __pyx_k_no_default___reduce___due_to_non, sizeof(__pyx_k_no_default___reduce___due_to_non), 0, 0, 1, 0}, + {&__pyx_n_s_np, __pyx_k_np, sizeof(__pyx_k_np), 0, 0, 1, 1}, + {&__pyx_n_s_numpy, __pyx_k_numpy, sizeof(__pyx_k_numpy), 0, 0, 1, 1}, + {&__pyx_kp_u_numpy_core_multiarray_failed_to, __pyx_k_numpy_core_multiarray_failed_to, sizeof(__pyx_k_numpy_core_multiarray_failed_to), 0, 1, 0, 0}, + {&__pyx_kp_u_numpy_core_umath_failed_to_impor, __pyx_k_numpy_core_umath_failed_to_impor, sizeof(__pyx_k_numpy_core_umath_failed_to_impor), 0, 1, 0, 0}, + {&__pyx_n_s_obj, __pyx_k_obj, sizeof(__pyx_k_obj), 0, 0, 1, 1}, + {&__pyx_n_s_pack, __pyx_k_pack, sizeof(__pyx_k_pack), 0, 0, 1, 1}, + {&__pyx_n_s_pickle, __pyx_k_pickle, sizeof(__pyx_k_pickle), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_PickleError, __pyx_k_pyx_PickleError, sizeof(__pyx_k_pyx_PickleError), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_checksum, __pyx_k_pyx_checksum, sizeof(__pyx_k_pyx_checksum), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_result, __pyx_k_pyx_result, sizeof(__pyx_k_pyx_result), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_state, __pyx_k_pyx_state, sizeof(__pyx_k_pyx_state), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_type, __pyx_k_pyx_type, sizeof(__pyx_k_pyx_type), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_unpickle_Enum, __pyx_k_pyx_unpickle_Enum, sizeof(__pyx_k_pyx_unpickle_Enum), 0, 0, 1, 1}, + {&__pyx_n_s_pyx_vtable, __pyx_k_pyx_vtable, sizeof(__pyx_k_pyx_vtable), 0, 0, 1, 1}, + {&__pyx_n_s_range, __pyx_k_range, sizeof(__pyx_k_range), 0, 0, 1, 1}, + {&__pyx_n_s_reduce, __pyx_k_reduce, sizeof(__pyx_k_reduce), 0, 0, 1, 1}, + {&__pyx_n_s_reduce_cython, __pyx_k_reduce_cython, sizeof(__pyx_k_reduce_cython), 0, 0, 1, 1}, + {&__pyx_n_s_reduce_ex, __pyx_k_reduce_ex, sizeof(__pyx_k_reduce_ex), 0, 0, 1, 1}, + {&__pyx_n_s_register, __pyx_k_register, sizeof(__pyx_k_register), 0, 0, 1, 1}, + {&__pyx_n_s_res_distances, __pyx_k_res_distances, sizeof(__pyx_k_res_distances), 0, 0, 1, 1}, + {&__pyx_n_s_residue_distances, __pyx_k_residue_distances, sizeof(__pyx_k_residue_distances), 0, 0, 1, 1}, + {&__pyx_n_s_setstate, __pyx_k_setstate, sizeof(__pyx_k_setstate), 0, 0, 1, 1}, + {&__pyx_n_s_setstate_cython, __pyx_k_setstate_cython, sizeof(__pyx_k_setstate_cython), 0, 0, 1, 1}, + {&__pyx_n_s_shape, __pyx_k_shape, sizeof(__pyx_k_shape), 0, 0, 1, 1}, + {&__pyx_n_s_size, __pyx_k_size, sizeof(__pyx_k_size), 0, 0, 1, 1}, + {&__pyx_n_s_spec, __pyx_k_spec, sizeof(__pyx_k_spec), 0, 0, 1, 1}, + {&__pyx_kp_s_src_DockQ_operations_pyx, __pyx_k_src_DockQ_operations_pyx, sizeof(__pyx_k_src_DockQ_operations_pyx), 0, 0, 1, 0}, + {&__pyx_n_s_start, __pyx_k_start, sizeof(__pyx_k_start), 0, 0, 1, 1}, + {&__pyx_n_s_step, __pyx_k_step, sizeof(__pyx_k_step), 0, 0, 1, 1}, + {&__pyx_n_s_stop, __pyx_k_stop, sizeof(__pyx_k_stop), 0, 0, 1, 1}, + {&__pyx_kp_s_strided_and_direct, __pyx_k_strided_and_direct, sizeof(__pyx_k_strided_and_direct), 0, 0, 1, 0}, + {&__pyx_kp_s_strided_and_direct_or_indirect, __pyx_k_strided_and_direct_or_indirect, sizeof(__pyx_k_strided_and_direct_or_indirect), 0, 0, 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+ exc_value = tstate->current_exception; + tstate->current_exception = 0; + *value = exc_value; + *type = NULL; + *tb = NULL; + if (exc_value) { + *type = (PyObject*) Py_TYPE(exc_value); + Py_INCREF(*type); + #if CYTHON_COMPILING_IN_CPYTHON + *tb = ((PyBaseExceptionObject*) exc_value)->traceback; + Py_XINCREF(*tb); + #else + *tb = PyException_GetTraceback(exc_value); + #endif + } +#else + *type = tstate->curexc_type; + *value = tstate->curexc_value; + *tb = tstate->curexc_traceback; + tstate->curexc_type = 0; + tstate->curexc_value = 0; + tstate->curexc_traceback = 0; +#endif +} +#endif + +/* PyObjectGetAttrStr */ +#if CYTHON_USE_TYPE_SLOTS +static CYTHON_INLINE PyObject* __Pyx_PyObject_GetAttrStr(PyObject* obj, PyObject* attr_name) { + PyTypeObject* tp = Py_TYPE(obj); + if (likely(tp->tp_getattro)) + return tp->tp_getattro(obj, attr_name); +#if PY_MAJOR_VERSION < 3 + if (likely(tp->tp_getattr)) + return tp->tp_getattr(obj, PyString_AS_STRING(attr_name)); +#endif + return PyObject_GetAttr(obj, attr_name); +} +#endif + +/* PyObjectGetAttrStrNoError */ +#if __PYX_LIMITED_VERSION_HEX < 0x030d00A1 +static void __Pyx_PyObject_GetAttrStr_ClearAttributeError(void) { + __Pyx_PyThreadState_declare + __Pyx_PyThreadState_assign + if (likely(__Pyx_PyErr_ExceptionMatches(PyExc_AttributeError))) + __Pyx_PyErr_Clear(); +} +#endif +static CYTHON_INLINE PyObject* __Pyx_PyObject_GetAttrStrNoError(PyObject* obj, PyObject* attr_name) { + PyObject *result; +#if __PYX_LIMITED_VERSION_HEX >= 0x030d00A1 + (void) PyObject_GetOptionalAttr(obj, attr_name, &result); + return result; +#else +#if CYTHON_COMPILING_IN_CPYTHON && CYTHON_USE_TYPE_SLOTS && PY_VERSION_HEX >= 0x030700B1 + PyTypeObject* tp = Py_TYPE(obj); + if (likely(tp->tp_getattro == PyObject_GenericGetAttr)) { + return _PyObject_GenericGetAttrWithDict(obj, attr_name, NULL, 1); + } +#endif + result = __Pyx_PyObject_GetAttrStr(obj, attr_name); + if (unlikely(!result)) { + __Pyx_PyObject_GetAttrStr_ClearAttributeError(); + } + return result; +#endif +} + +/* GetBuiltinName */ +static PyObject *__Pyx_GetBuiltinName(PyObject *name) { + PyObject* result = __Pyx_PyObject_GetAttrStrNoError(__pyx_b, name); + if (unlikely(!result) && !PyErr_Occurred()) { + PyErr_Format(PyExc_NameError, +#if PY_MAJOR_VERSION >= 3 + "name '%U' is not defined", name); +#else + "name '%.200s' is not defined", PyString_AS_STRING(name)); +#endif + } + return result; +} + +/* TupleAndListFromArray */ +#if CYTHON_COMPILING_IN_CPYTHON +static CYTHON_INLINE void __Pyx_copy_object_array(PyObject *const *CYTHON_RESTRICT src, PyObject** CYTHON_RESTRICT dest, Py_ssize_t length) { + PyObject *v; + Py_ssize_t i; + for (i = 0; i < length; i++) { + v = dest[i] = src[i]; + Py_INCREF(v); + } +} +static CYTHON_INLINE PyObject * +__Pyx_PyTuple_FromArray(PyObject *const *src, Py_ssize_t n) +{ + PyObject *res; + if (n <= 0) { + Py_INCREF(__pyx_empty_tuple); + return __pyx_empty_tuple; + } + res = PyTuple_New(n); + if (unlikely(res == NULL)) return NULL; + __Pyx_copy_object_array(src, ((PyTupleObject*)res)->ob_item, n); + return res; +} +static CYTHON_INLINE PyObject * +__Pyx_PyList_FromArray(PyObject *const *src, Py_ssize_t n) +{ + PyObject *res; + if (n <= 0) { + return PyList_New(0); + } + res = PyList_New(n); + if (unlikely(res == NULL)) return NULL; + __Pyx_copy_object_array(src, ((PyListObject*)res)->ob_item, n); + return res; +} +#endif + +/* BytesEquals */ +static CYTHON_INLINE int __Pyx_PyBytes_Equals(PyObject* s1, PyObject* s2, int equals) { +#if CYTHON_COMPILING_IN_PYPY || CYTHON_COMPILING_IN_LIMITED_API + return PyObject_RichCompareBool(s1, s2, equals); +#else + if (s1 == s2) { + return (equals == Py_EQ); + } else if (PyBytes_CheckExact(s1) & PyBytes_CheckExact(s2)) { + const char *ps1, *ps2; + Py_ssize_t length = PyBytes_GET_SIZE(s1); + if (length != PyBytes_GET_SIZE(s2)) + return (equals == Py_NE); + ps1 = PyBytes_AS_STRING(s1); + ps2 = PyBytes_AS_STRING(s2); + if (ps1[0] != ps2[0]) { + return (equals == Py_NE); + } else if (length == 1) { + return (equals == Py_EQ); + } else { + int result; +#if CYTHON_USE_UNICODE_INTERNALS && (PY_VERSION_HEX < 0x030B0000) + Py_hash_t hash1, hash2; + hash1 = ((PyBytesObject*)s1)->ob_shash; + hash2 = ((PyBytesObject*)s2)->ob_shash; + if (hash1 != hash2 && hash1 != -1 && hash2 != -1) { + return (equals == Py_NE); + } +#endif + result = memcmp(ps1, ps2, (size_t)length); + return (equals == Py_EQ) ? (result == 0) : (result != 0); + } + } else if ((s1 == Py_None) & PyBytes_CheckExact(s2)) { + return (equals == Py_NE); + } else if ((s2 == Py_None) & PyBytes_CheckExact(s1)) { + return (equals == Py_NE); + } else { + int result; + PyObject* py_result = PyObject_RichCompare(s1, s2, equals); + if (!py_result) + return -1; + result = __Pyx_PyObject_IsTrue(py_result); + Py_DECREF(py_result); + return result; + } +#endif +} + +/* UnicodeEquals */ +static CYTHON_INLINE int __Pyx_PyUnicode_Equals(PyObject* s1, PyObject* s2, int equals) { +#if CYTHON_COMPILING_IN_PYPY || CYTHON_COMPILING_IN_LIMITED_API + return PyObject_RichCompareBool(s1, s2, equals); +#else +#if PY_MAJOR_VERSION < 3 + PyObject* owned_ref = NULL; +#endif + int s1_is_unicode, s2_is_unicode; + if (s1 == s2) { + goto return_eq; + } + s1_is_unicode = PyUnicode_CheckExact(s1); + s2_is_unicode = PyUnicode_CheckExact(s2); +#if PY_MAJOR_VERSION < 3 + if ((s1_is_unicode & (!s2_is_unicode)) && PyString_CheckExact(s2)) { + owned_ref = PyUnicode_FromObject(s2); + if (unlikely(!owned_ref)) + return -1; + s2 = owned_ref; + s2_is_unicode = 1; + } else if ((s2_is_unicode & (!s1_is_unicode)) && PyString_CheckExact(s1)) { + owned_ref = PyUnicode_FromObject(s1); + if (unlikely(!owned_ref)) + return -1; + s1 = owned_ref; + s1_is_unicode = 1; + } else if (((!s2_is_unicode) & (!s1_is_unicode))) { + return __Pyx_PyBytes_Equals(s1, s2, equals); + } +#endif + if (s1_is_unicode & s2_is_unicode) { + Py_ssize_t length; + int kind; + void *data1, *data2; + if (unlikely(__Pyx_PyUnicode_READY(s1) < 0) || unlikely(__Pyx_PyUnicode_READY(s2) < 0)) + return -1; + length = __Pyx_PyUnicode_GET_LENGTH(s1); + if (length != __Pyx_PyUnicode_GET_LENGTH(s2)) { + goto return_ne; + } +#if CYTHON_USE_UNICODE_INTERNALS + { + Py_hash_t hash1, hash2; + #if CYTHON_PEP393_ENABLED + hash1 = ((PyASCIIObject*)s1)->hash; + hash2 = ((PyASCIIObject*)s2)->hash; + #else + hash1 = ((PyUnicodeObject*)s1)->hash; + hash2 = ((PyUnicodeObject*)s2)->hash; + #endif + if (hash1 != hash2 && hash1 != -1 && hash2 != -1) { + goto return_ne; + } + } +#endif + kind = __Pyx_PyUnicode_KIND(s1); + if (kind != __Pyx_PyUnicode_KIND(s2)) { + goto return_ne; + } + data1 = __Pyx_PyUnicode_DATA(s1); + data2 = __Pyx_PyUnicode_DATA(s2); + if (__Pyx_PyUnicode_READ(kind, data1, 0) != __Pyx_PyUnicode_READ(kind, data2, 0)) { + goto return_ne; + } else if (length == 1) { + goto return_eq; + } else { + int result = memcmp(data1, data2, (size_t)(length * kind)); + #if PY_MAJOR_VERSION < 3 + Py_XDECREF(owned_ref); + #endif + return (equals == Py_EQ) ? (result == 0) : (result != 0); + } + } else if ((s1 == Py_None) & s2_is_unicode) { + goto return_ne; + } else if ((s2 == Py_None) & s1_is_unicode) { + goto return_ne; + } else { + int result; + PyObject* py_result = PyObject_RichCompare(s1, s2, equals); + #if PY_MAJOR_VERSION < 3 + Py_XDECREF(owned_ref); + #endif + if (!py_result) + return -1; + result = __Pyx_PyObject_IsTrue(py_result); + Py_DECREF(py_result); + return result; + } +return_eq: + #if PY_MAJOR_VERSION < 3 + Py_XDECREF(owned_ref); + #endif + return (equals == Py_EQ); +return_ne: + #if PY_MAJOR_VERSION < 3 + Py_XDECREF(owned_ref); + #endif + return (equals == Py_NE); +#endif +} + +/* fastcall */ +#if CYTHON_METH_FASTCALL +static CYTHON_INLINE PyObject * __Pyx_GetKwValue_FASTCALL(PyObject *kwnames, PyObject *const *kwvalues, PyObject *s) +{ + Py_ssize_t i, n = PyTuple_GET_SIZE(kwnames); + for (i = 0; i < n; i++) + { + if (s == PyTuple_GET_ITEM(kwnames, i)) return kwvalues[i]; + } + for (i = 0; i < n; i++) + { + int eq = __Pyx_PyUnicode_Equals(s, PyTuple_GET_ITEM(kwnames, i), Py_EQ); + if (unlikely(eq != 0)) { + if (unlikely(eq < 0)) return NULL; + return kwvalues[i]; + } + } + return NULL; +} +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030d0000 +CYTHON_UNUSED static PyObject *__Pyx_KwargsAsDict_FASTCALL(PyObject *kwnames, PyObject *const *kwvalues) { + Py_ssize_t i, nkwargs = PyTuple_GET_SIZE(kwnames); + PyObject *dict; + dict = PyDict_New(); + if (unlikely(!dict)) + return NULL; + for (i=0; i= 3 + "%s() got multiple values for keyword argument '%U'", func_name, kw_name); + #else + "%s() got multiple values for keyword argument '%s'", func_name, + PyString_AsString(kw_name)); + #endif +} + +/* ParseKeywords */ +static int __Pyx_ParseOptionalKeywords( + PyObject *kwds, + PyObject *const *kwvalues, + PyObject **argnames[], + PyObject *kwds2, + PyObject *values[], + Py_ssize_t num_pos_args, + const char* function_name) +{ + PyObject *key = 0, *value = 0; + Py_ssize_t pos = 0; + PyObject*** name; + PyObject*** first_kw_arg = argnames + num_pos_args; + int kwds_is_tuple = CYTHON_METH_FASTCALL && likely(PyTuple_Check(kwds)); + while (1) { + Py_XDECREF(key); key = NULL; + Py_XDECREF(value); value = NULL; + if (kwds_is_tuple) { + Py_ssize_t size; +#if CYTHON_ASSUME_SAFE_MACROS + size = PyTuple_GET_SIZE(kwds); +#else + size = PyTuple_Size(kwds); + if (size < 0) goto bad; +#endif + if (pos >= size) break; +#if CYTHON_AVOID_BORROWED_REFS + key = __Pyx_PySequence_ITEM(kwds, pos); + if (!key) goto bad; +#elif CYTHON_ASSUME_SAFE_MACROS + key = PyTuple_GET_ITEM(kwds, pos); +#else + key = PyTuple_GetItem(kwds, pos); + if (!key) goto bad; +#endif + value = kwvalues[pos]; + pos++; + } + else + { + if (!PyDict_Next(kwds, &pos, &key, &value)) break; +#if CYTHON_AVOID_BORROWED_REFS + Py_INCREF(key); +#endif + } + name = first_kw_arg; + while (*name && (**name != key)) name++; + if (*name) { + values[name-argnames] = value; +#if CYTHON_AVOID_BORROWED_REFS + Py_INCREF(value); + Py_DECREF(key); +#endif + key = NULL; + value = NULL; + continue; + } +#if !CYTHON_AVOID_BORROWED_REFS + Py_INCREF(key); +#endif + Py_INCREF(value); + name = first_kw_arg; + #if PY_MAJOR_VERSION < 3 + if (likely(PyString_Check(key))) { + while (*name) { + if ((CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**name) == PyString_GET_SIZE(key)) + && _PyString_Eq(**name, key)) { + values[name-argnames] = value; +#if CYTHON_AVOID_BORROWED_REFS + value = NULL; +#endif + break; + } + name++; + } + if (*name) continue; + else { + PyObject*** argname = argnames; + while (argname != first_kw_arg) { + if ((**argname == key) || ( + (CYTHON_COMPILING_IN_PYPY || PyString_GET_SIZE(**argname) == PyString_GET_SIZE(key)) + && _PyString_Eq(**argname, key))) { + goto arg_passed_twice; + } + argname++; + } + } + } else + #endif + if (likely(PyUnicode_Check(key))) { + while (*name) { + int cmp = ( + #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 + (__Pyx_PyUnicode_GET_LENGTH(**name) != __Pyx_PyUnicode_GET_LENGTH(key)) ? 1 : + #endif + PyUnicode_Compare(**name, key) + ); + if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; + if (cmp == 0) { + values[name-argnames] = value; +#if CYTHON_AVOID_BORROWED_REFS + value = NULL; +#endif + break; + } + name++; + } + if (*name) continue; + else { + PyObject*** argname = argnames; + while (argname != first_kw_arg) { + int cmp = (**argname == key) ? 0 : + #if !CYTHON_COMPILING_IN_PYPY && PY_MAJOR_VERSION >= 3 + (__Pyx_PyUnicode_GET_LENGTH(**argname) != __Pyx_PyUnicode_GET_LENGTH(key)) ? 1 : + #endif + PyUnicode_Compare(**argname, key); + if (cmp < 0 && unlikely(PyErr_Occurred())) goto bad; + if (cmp == 0) goto arg_passed_twice; + argname++; + } + } + } else + goto invalid_keyword_type; + if (kwds2) { + if (unlikely(PyDict_SetItem(kwds2, key, value))) goto bad; + } else { + goto invalid_keyword; + } + } + Py_XDECREF(key); + Py_XDECREF(value); + return 0; +arg_passed_twice: + __Pyx_RaiseDoubleKeywordsError(function_name, key); + goto bad; +invalid_keyword_type: + PyErr_Format(PyExc_TypeError, + "%.200s() keywords must be strings", function_name); + goto bad; +invalid_keyword: + #if PY_MAJOR_VERSION < 3 + PyErr_Format(PyExc_TypeError, + "%.200s() got an unexpected keyword argument '%.200s'", + function_name, PyString_AsString(key)); + #else + PyErr_Format(PyExc_TypeError, + "%s() got an unexpected keyword argument '%U'", + function_name, key); + #endif +bad: + Py_XDECREF(key); + Py_XDECREF(value); + return -1; +} + +/* ArgTypeTest */ +static int __Pyx__ArgTypeTest(PyObject *obj, PyTypeObject *type, const char *name, int exact) +{ + __Pyx_TypeName type_name; + __Pyx_TypeName obj_type_name; + if (unlikely(!type)) { + PyErr_SetString(PyExc_SystemError, "Missing type object"); + return 0; + } + else if (exact) { + #if PY_MAJOR_VERSION == 2 + if ((type == &PyBaseString_Type) && likely(__Pyx_PyBaseString_CheckExact(obj))) return 1; + #endif + } + else { + if (likely(__Pyx_TypeCheck(obj, type))) return 1; + } + type_name = __Pyx_PyType_GetName(type); + obj_type_name = __Pyx_PyType_GetName(Py_TYPE(obj)); + PyErr_Format(PyExc_TypeError, + "Argument '%.200s' has incorrect type (expected " __Pyx_FMT_TYPENAME + ", got " __Pyx_FMT_TYPENAME ")", name, type_name, obj_type_name); + __Pyx_DECREF_TypeName(type_name); + __Pyx_DECREF_TypeName(obj_type_name); + return 0; +} + +/* RaiseException */ +#if PY_MAJOR_VERSION < 3 +static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause) { + __Pyx_PyThreadState_declare + CYTHON_UNUSED_VAR(cause); + Py_XINCREF(type); + if (!value || value == Py_None) + value = NULL; + else + Py_INCREF(value); + if (!tb || tb == Py_None) + tb = NULL; + else { + Py_INCREF(tb); + if (!PyTraceBack_Check(tb)) { + PyErr_SetString(PyExc_TypeError, + "raise: arg 3 must be a traceback or None"); + goto raise_error; + } + } + if (PyType_Check(type)) { +#if CYTHON_COMPILING_IN_PYPY + if (!value) { + Py_INCREF(Py_None); + value = Py_None; + } +#endif + PyErr_NormalizeException(&type, &value, &tb); + } else { + if (value) { + PyErr_SetString(PyExc_TypeError, + "instance exception may not have a separate value"); + goto raise_error; + } + value = type; + type = (PyObject*) Py_TYPE(type); + Py_INCREF(type); + if (!PyType_IsSubtype((PyTypeObject *)type, (PyTypeObject *)PyExc_BaseException)) { + PyErr_SetString(PyExc_TypeError, + "raise: exception class must be a subclass of BaseException"); + goto raise_error; + } + } + __Pyx_PyThreadState_assign + __Pyx_ErrRestore(type, value, tb); + return; +raise_error: + Py_XDECREF(value); + Py_XDECREF(type); + Py_XDECREF(tb); + return; +} +#else +static void __Pyx_Raise(PyObject *type, PyObject *value, PyObject *tb, PyObject *cause) { + PyObject* owned_instance = NULL; + if (tb == Py_None) { + tb = 0; + } else if (tb && !PyTraceBack_Check(tb)) { + PyErr_SetString(PyExc_TypeError, + "raise: arg 3 must be a traceback or None"); + goto bad; + } + if (value == Py_None) + value = 0; + if (PyExceptionInstance_Check(type)) { + if (value) { + PyErr_SetString(PyExc_TypeError, + "instance exception may not have a separate value"); + goto bad; + } + value = type; + type = (PyObject*) Py_TYPE(value); + } else if (PyExceptionClass_Check(type)) { + PyObject *instance_class = NULL; + if (value && PyExceptionInstance_Check(value)) { + instance_class = (PyObject*) Py_TYPE(value); + if (instance_class != type) { + int is_subclass = PyObject_IsSubclass(instance_class, type); + if (!is_subclass) { + instance_class = NULL; + } else if (unlikely(is_subclass == -1)) { + goto bad; + } else { + type = instance_class; + } + } + } + if (!instance_class) { + PyObject *args; + if (!value) + args = PyTuple_New(0); + else if (PyTuple_Check(value)) { + Py_INCREF(value); + args = value; + } else + args = PyTuple_Pack(1, value); + if (!args) + goto bad; + owned_instance = PyObject_Call(type, args, NULL); + Py_DECREF(args); + if (!owned_instance) + goto bad; + value = owned_instance; + if (!PyExceptionInstance_Check(value)) { + PyErr_Format(PyExc_TypeError, + "calling %R should have returned an instance of " + "BaseException, not %R", + type, Py_TYPE(value)); + goto bad; + } + } + } else { + PyErr_SetString(PyExc_TypeError, + "raise: exception class must be a subclass of BaseException"); + goto bad; + } + if (cause) { + PyObject *fixed_cause; + if (cause == Py_None) { + fixed_cause = NULL; + } else if (PyExceptionClass_Check(cause)) { + fixed_cause = PyObject_CallObject(cause, NULL); + if (fixed_cause == NULL) + goto bad; + } else if (PyExceptionInstance_Check(cause)) { + fixed_cause = cause; + Py_INCREF(fixed_cause); + } else { + PyErr_SetString(PyExc_TypeError, + "exception causes must derive from " + "BaseException"); + goto bad; + } + PyException_SetCause(value, fixed_cause); + } + PyErr_SetObject(type, value); + if (tb) { + #if PY_VERSION_HEX >= 0x030C00A6 + PyException_SetTraceback(value, tb); + #elif CYTHON_FAST_THREAD_STATE + PyThreadState *tstate = __Pyx_PyThreadState_Current; + PyObject* tmp_tb = tstate->curexc_traceback; + if (tb != tmp_tb) { + Py_INCREF(tb); + tstate->curexc_traceback = tb; + Py_XDECREF(tmp_tb); + } +#else + PyObject *tmp_type, *tmp_value, *tmp_tb; + PyErr_Fetch(&tmp_type, &tmp_value, &tmp_tb); + Py_INCREF(tb); + PyErr_Restore(tmp_type, tmp_value, tb); + Py_XDECREF(tmp_tb); +#endif + } +bad: + Py_XDECREF(owned_instance); + return; +} +#endif + +/* PyFunctionFastCall */ +#if CYTHON_FAST_PYCALL && !CYTHON_VECTORCALL +static PyObject* __Pyx_PyFunction_FastCallNoKw(PyCodeObject *co, PyObject **args, Py_ssize_t na, + PyObject *globals) { + PyFrameObject *f; + PyThreadState *tstate = __Pyx_PyThreadState_Current; + PyObject **fastlocals; + Py_ssize_t i; + PyObject *result; + assert(globals != NULL); + /* XXX Perhaps we should create a specialized + PyFrame_New() that doesn't take locals, but does + take builtins without sanity checking them. + */ + assert(tstate != NULL); + f = PyFrame_New(tstate, co, globals, NULL); + if (f == NULL) { + return NULL; + } + fastlocals = __Pyx_PyFrame_GetLocalsplus(f); + for (i = 0; i < na; i++) { + Py_INCREF(*args); + fastlocals[i] = *args++; + } + result = PyEval_EvalFrameEx(f,0); + ++tstate->recursion_depth; + Py_DECREF(f); + --tstate->recursion_depth; + return result; +} +static PyObject *__Pyx_PyFunction_FastCallDict(PyObject *func, PyObject **args, Py_ssize_t nargs, PyObject *kwargs) { + PyCodeObject *co = (PyCodeObject *)PyFunction_GET_CODE(func); + PyObject *globals = PyFunction_GET_GLOBALS(func); + PyObject *argdefs = PyFunction_GET_DEFAULTS(func); + PyObject *closure; +#if PY_MAJOR_VERSION >= 3 + PyObject *kwdefs; +#endif + PyObject *kwtuple, **k; + PyObject **d; + Py_ssize_t nd; + Py_ssize_t nk; + PyObject *result; + assert(kwargs == NULL || PyDict_Check(kwargs)); + nk = kwargs ? PyDict_Size(kwargs) : 0; + #if PY_MAJOR_VERSION < 3 + if (unlikely(Py_EnterRecursiveCall((char*)" while calling a Python object"))) { + return NULL; + } + #else + if (unlikely(Py_EnterRecursiveCall(" while calling a Python object"))) { + return NULL; + } + #endif + if ( +#if PY_MAJOR_VERSION >= 3 + co->co_kwonlyargcount == 0 && +#endif + likely(kwargs == NULL || nk == 0) && + co->co_flags == (CO_OPTIMIZED | CO_NEWLOCALS | CO_NOFREE)) { + if (argdefs == NULL && co->co_argcount == nargs) { + result = __Pyx_PyFunction_FastCallNoKw(co, args, nargs, globals); + goto done; + } + else if (nargs == 0 && argdefs != NULL + && co->co_argcount == Py_SIZE(argdefs)) { + /* function called with no arguments, but all parameters have + a default value: use default values as arguments .*/ + args = &PyTuple_GET_ITEM(argdefs, 0); + result =__Pyx_PyFunction_FastCallNoKw(co, args, Py_SIZE(argdefs), globals); + goto done; + } + } + if (kwargs != NULL) { + Py_ssize_t pos, i; + kwtuple = PyTuple_New(2 * nk); + if (kwtuple == NULL) { + result = NULL; + goto done; + } + k = &PyTuple_GET_ITEM(kwtuple, 0); + pos = i = 0; + while (PyDict_Next(kwargs, &pos, &k[i], &k[i+1])) { + Py_INCREF(k[i]); + Py_INCREF(k[i+1]); + i += 2; + } + nk = i / 2; + } + else { + kwtuple = NULL; + k = NULL; + } + closure = PyFunction_GET_CLOSURE(func); +#if PY_MAJOR_VERSION >= 3 + kwdefs = PyFunction_GET_KW_DEFAULTS(func); +#endif + if (argdefs != NULL) { + d = &PyTuple_GET_ITEM(argdefs, 0); + nd = Py_SIZE(argdefs); + } + else { + d = NULL; + nd = 0; + } +#if PY_MAJOR_VERSION >= 3 + result = PyEval_EvalCodeEx((PyObject*)co, globals, (PyObject *)NULL, + args, (int)nargs, + k, (int)nk, + d, (int)nd, kwdefs, closure); +#else + result = PyEval_EvalCodeEx(co, globals, (PyObject *)NULL, + args, (int)nargs, + k, (int)nk, + d, (int)nd, closure); +#endif + Py_XDECREF(kwtuple); +done: + Py_LeaveRecursiveCall(); + return result; +} +#endif + +/* PyObjectCall */ +#if CYTHON_COMPILING_IN_CPYTHON +static CYTHON_INLINE PyObject* __Pyx_PyObject_Call(PyObject *func, PyObject *arg, PyObject *kw) { + PyObject *result; + ternaryfunc call = Py_TYPE(func)->tp_call; + if (unlikely(!call)) + return PyObject_Call(func, arg, kw); + #if PY_MAJOR_VERSION < 3 + if (unlikely(Py_EnterRecursiveCall((char*)" while calling a Python object"))) + return NULL; + #else + if (unlikely(Py_EnterRecursiveCall(" while calling a Python object"))) + return NULL; + #endif + result = (*call)(func, arg, kw); + Py_LeaveRecursiveCall(); + if (unlikely(!result) && unlikely(!PyErr_Occurred())) { + PyErr_SetString( + PyExc_SystemError, + "NULL result without error in PyObject_Call"); + } + return result; +} +#endif + +/* PyObjectCallMethO */ +#if CYTHON_COMPILING_IN_CPYTHON +static CYTHON_INLINE PyObject* __Pyx_PyObject_CallMethO(PyObject *func, PyObject *arg) { + PyObject *self, *result; + PyCFunction cfunc; + cfunc = __Pyx_CyOrPyCFunction_GET_FUNCTION(func); + self = __Pyx_CyOrPyCFunction_GET_SELF(func); + #if PY_MAJOR_VERSION < 3 + if (unlikely(Py_EnterRecursiveCall((char*)" while calling a Python object"))) + return NULL; + #else + if (unlikely(Py_EnterRecursiveCall(" while calling a Python object"))) + return NULL; + #endif + result = cfunc(self, arg); + Py_LeaveRecursiveCall(); + if (unlikely(!result) && unlikely(!PyErr_Occurred())) { + PyErr_SetString( + PyExc_SystemError, + "NULL result without error in PyObject_Call"); + } + return result; +} +#endif + +/* PyObjectFastCall */ +#if PY_VERSION_HEX < 0x03090000 || CYTHON_COMPILING_IN_LIMITED_API +static PyObject* __Pyx_PyObject_FastCall_fallback(PyObject *func, PyObject **args, size_t nargs, PyObject *kwargs) { + PyObject *argstuple; + PyObject *result = 0; + size_t i; + argstuple = PyTuple_New((Py_ssize_t)nargs); + if (unlikely(!argstuple)) return NULL; + for (i = 0; i < nargs; i++) { + Py_INCREF(args[i]); + if (__Pyx_PyTuple_SET_ITEM(argstuple, (Py_ssize_t)i, args[i]) < 0) goto bad; + } + result = __Pyx_PyObject_Call(func, argstuple, kwargs); + bad: + Py_DECREF(argstuple); + return result; +} +#endif +static CYTHON_INLINE PyObject* __Pyx_PyObject_FastCallDict(PyObject *func, PyObject **args, size_t _nargs, PyObject *kwargs) { + Py_ssize_t nargs = __Pyx_PyVectorcall_NARGS(_nargs); +#if CYTHON_COMPILING_IN_CPYTHON + if (nargs == 0 && kwargs == NULL) { + if (__Pyx_CyOrPyCFunction_Check(func) && likely( __Pyx_CyOrPyCFunction_GET_FLAGS(func) & METH_NOARGS)) + return __Pyx_PyObject_CallMethO(func, NULL); + } + else if (nargs == 1 && kwargs == NULL) { + if (__Pyx_CyOrPyCFunction_Check(func) && likely( __Pyx_CyOrPyCFunction_GET_FLAGS(func) & METH_O)) + return __Pyx_PyObject_CallMethO(func, args[0]); + } +#endif + #if PY_VERSION_HEX < 0x030800B1 + #if CYTHON_FAST_PYCCALL + if (PyCFunction_Check(func)) { + if (kwargs) { + return _PyCFunction_FastCallDict(func, args, nargs, kwargs); + } else { + return _PyCFunction_FastCallKeywords(func, args, nargs, NULL); + } + } + #if PY_VERSION_HEX >= 0x030700A1 + if (!kwargs && __Pyx_IS_TYPE(func, &PyMethodDescr_Type)) { + return _PyMethodDescr_FastCallKeywords(func, args, nargs, NULL); + } + #endif + #endif + #if CYTHON_FAST_PYCALL + if (PyFunction_Check(func)) { + return __Pyx_PyFunction_FastCallDict(func, args, nargs, kwargs); + } + #endif + #endif + if (kwargs == NULL) { + #if CYTHON_VECTORCALL + #if PY_VERSION_HEX < 0x03090000 + vectorcallfunc f = _PyVectorcall_Function(func); + #else + vectorcallfunc f = PyVectorcall_Function(func); + #endif + if (f) { + return f(func, args, (size_t)nargs, NULL); + } + #elif defined(__Pyx_CyFunction_USED) && CYTHON_BACKPORT_VECTORCALL + if (__Pyx_CyFunction_CheckExact(func)) { + __pyx_vectorcallfunc f = __Pyx_CyFunction_func_vectorcall(func); + if (f) return f(func, args, (size_t)nargs, NULL); + } + #endif + } + if (nargs == 0) { + return __Pyx_PyObject_Call(func, __pyx_empty_tuple, kwargs); + } + #if PY_VERSION_HEX >= 0x03090000 && !CYTHON_COMPILING_IN_LIMITED_API + return PyObject_VectorcallDict(func, args, (size_t)nargs, kwargs); + #else + return __Pyx_PyObject_FastCall_fallback(func, args, (size_t)nargs, kwargs); + #endif +} + +/* RaiseUnexpectedTypeError */ +static int +__Pyx_RaiseUnexpectedTypeError(const char *expected, PyObject *obj) +{ + __Pyx_TypeName obj_type_name = __Pyx_PyType_GetName(Py_TYPE(obj)); + PyErr_Format(PyExc_TypeError, "Expected %s, got " __Pyx_FMT_TYPENAME, + expected, obj_type_name); + __Pyx_DECREF_TypeName(obj_type_name); + return 0; +} + +/* CIntToDigits */ +static const char DIGIT_PAIRS_10[2*10*10+1] = { + "00010203040506070809" + "10111213141516171819" + "20212223242526272829" + "30313233343536373839" + "40414243444546474849" + "50515253545556575859" + "60616263646566676869" + "70717273747576777879" + "80818283848586878889" + "90919293949596979899" +}; +static const char DIGIT_PAIRS_8[2*8*8+1] = { + "0001020304050607" + "1011121314151617" + "2021222324252627" + "3031323334353637" + "4041424344454647" + "5051525354555657" + "6061626364656667" + "7071727374757677" +}; +static const char DIGITS_HEX[2*16+1] = { + "0123456789abcdef" + "0123456789ABCDEF" +}; + +/* BuildPyUnicode */ +static PyObject* __Pyx_PyUnicode_BuildFromAscii(Py_ssize_t ulength, char* chars, int clength, + int prepend_sign, char padding_char) { + PyObject *uval; + Py_ssize_t uoffset = ulength - clength; +#if CYTHON_USE_UNICODE_INTERNALS + Py_ssize_t i; +#if CYTHON_PEP393_ENABLED + void *udata; + uval = PyUnicode_New(ulength, 127); + if (unlikely(!uval)) return NULL; + udata = PyUnicode_DATA(uval); +#else + Py_UNICODE *udata; + uval = PyUnicode_FromUnicode(NULL, ulength); + if (unlikely(!uval)) return NULL; + udata = PyUnicode_AS_UNICODE(uval); +#endif + if (uoffset > 0) { + i = 0; + if (prepend_sign) { + __Pyx_PyUnicode_WRITE(PyUnicode_1BYTE_KIND, udata, 0, '-'); + i++; + } + for (; i < uoffset; i++) { + __Pyx_PyUnicode_WRITE(PyUnicode_1BYTE_KIND, udata, i, padding_char); + } + } + for (i=0; i < clength; i++) { + __Pyx_PyUnicode_WRITE(PyUnicode_1BYTE_KIND, udata, uoffset+i, chars[i]); + } +#else + { + PyObject *sign = NULL, *padding = NULL; + uval = NULL; + if (uoffset > 0) { + prepend_sign = !!prepend_sign; + if (uoffset > prepend_sign) { + padding = PyUnicode_FromOrdinal(padding_char); + if (likely(padding) && uoffset > prepend_sign + 1) { + PyObject *tmp; + PyObject *repeat = PyInt_FromSsize_t(uoffset - prepend_sign); + if (unlikely(!repeat)) goto done_or_error; + tmp = PyNumber_Multiply(padding, repeat); + Py_DECREF(repeat); + Py_DECREF(padding); + padding = tmp; + } + if (unlikely(!padding)) goto done_or_error; + } + if (prepend_sign) { + sign = PyUnicode_FromOrdinal('-'); + if (unlikely(!sign)) goto done_or_error; + } + } + uval = PyUnicode_DecodeASCII(chars, clength, NULL); + if (likely(uval) && padding) { + PyObject *tmp = PyNumber_Add(padding, uval); + Py_DECREF(uval); + uval = tmp; + } + if (likely(uval) && sign) { + PyObject *tmp = PyNumber_Add(sign, uval); + Py_DECREF(uval); + uval = tmp; + } +done_or_error: + Py_XDECREF(padding); + Py_XDECREF(sign); + } +#endif + return uval; +} + +/* CIntToPyUnicode */ +static CYTHON_INLINE PyObject* __Pyx_PyUnicode_From_int(int value, Py_ssize_t width, char padding_char, char format_char) { + char digits[sizeof(int)*3+2]; + char *dpos, *end = digits + sizeof(int)*3+2; + const char *hex_digits = DIGITS_HEX; + Py_ssize_t length, ulength; + int prepend_sign, last_one_off; + int remaining; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const int neg_one = (int) -1, const_zero = (int) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; + if (format_char == 'X') { + hex_digits += 16; + format_char = 'x'; + } + remaining = value; + last_one_off = 0; + dpos = end; + do { + int digit_pos; + switch (format_char) { + case 'o': + digit_pos = abs((int)(remaining % (8*8))); + remaining = (int) (remaining / (8*8)); + dpos -= 2; + memcpy(dpos, DIGIT_PAIRS_8 + digit_pos * 2, 2); + last_one_off = (digit_pos < 8); + break; + case 'd': + digit_pos = abs((int)(remaining % (10*10))); + remaining = (int) (remaining / (10*10)); + dpos -= 2; + memcpy(dpos, DIGIT_PAIRS_10 + digit_pos * 2, 2); + last_one_off = (digit_pos < 10); + break; + case 'x': + *(--dpos) = hex_digits[abs((int)(remaining % 16))]; + remaining = (int) (remaining / 16); + break; + default: + assert(0); + break; + } + } while (unlikely(remaining != 0)); + assert(!last_one_off || *dpos == '0'); + dpos += last_one_off; + length = end - dpos; + ulength = length; + prepend_sign = 0; + if (!is_unsigned && value <= neg_one) { + if (padding_char == ' ' || width <= length + 1) { + *(--dpos) = '-'; + ++length; + } else { + prepend_sign = 1; + } + ++ulength; + } + if (width > ulength) { + ulength = width; + } + if (ulength == 1) { + return PyUnicode_FromOrdinal(*dpos); + } + return __Pyx_PyUnicode_BuildFromAscii(ulength, dpos, (int) length, prepend_sign, padding_char); +} + +/* CIntToPyUnicode */ +static CYTHON_INLINE PyObject* __Pyx_PyUnicode_From_Py_ssize_t(Py_ssize_t value, Py_ssize_t width, char padding_char, char format_char) { + char digits[sizeof(Py_ssize_t)*3+2]; + char *dpos, *end = digits + sizeof(Py_ssize_t)*3+2; + const char *hex_digits = DIGITS_HEX; + Py_ssize_t length, ulength; + int prepend_sign, last_one_off; + Py_ssize_t remaining; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const Py_ssize_t neg_one = (Py_ssize_t) -1, const_zero = (Py_ssize_t) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; + if (format_char == 'X') { + hex_digits += 16; + format_char = 'x'; + } + remaining = value; + last_one_off = 0; + dpos = end; + do { + int digit_pos; + switch (format_char) { + case 'o': + digit_pos = abs((int)(remaining % (8*8))); + remaining = (Py_ssize_t) (remaining / (8*8)); + dpos -= 2; + memcpy(dpos, DIGIT_PAIRS_8 + digit_pos * 2, 2); + last_one_off = (digit_pos < 8); + break; + case 'd': + digit_pos = abs((int)(remaining % (10*10))); + remaining = (Py_ssize_t) (remaining / (10*10)); + dpos -= 2; + memcpy(dpos, DIGIT_PAIRS_10 + digit_pos * 2, 2); + last_one_off = (digit_pos < 10); + break; + case 'x': + *(--dpos) = hex_digits[abs((int)(remaining % 16))]; + remaining = (Py_ssize_t) (remaining / 16); + break; + default: + assert(0); + break; + } + } while (unlikely(remaining != 0)); + assert(!last_one_off || *dpos == '0'); + dpos += last_one_off; + length = end - dpos; + ulength = length; + prepend_sign = 0; + if (!is_unsigned && value <= neg_one) { + if (padding_char == ' ' || width <= length + 1) { + *(--dpos) = '-'; + ++length; + } else { + prepend_sign = 1; + } + ++ulength; + } + if (width > ulength) { + ulength = width; + } + if (ulength == 1) { + return PyUnicode_FromOrdinal(*dpos); + } + return __Pyx_PyUnicode_BuildFromAscii(ulength, dpos, (int) length, prepend_sign, padding_char); +} + +/* JoinPyUnicode */ +static PyObject* __Pyx_PyUnicode_Join(PyObject* value_tuple, Py_ssize_t value_count, Py_ssize_t result_ulength, + Py_UCS4 max_char) { +#if CYTHON_USE_UNICODE_INTERNALS && CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS + PyObject *result_uval; + int result_ukind, kind_shift; + Py_ssize_t i, char_pos; + void *result_udata; + CYTHON_MAYBE_UNUSED_VAR(max_char); +#if CYTHON_PEP393_ENABLED + result_uval = PyUnicode_New(result_ulength, max_char); + if (unlikely(!result_uval)) return NULL; + result_ukind = (max_char <= 255) ? PyUnicode_1BYTE_KIND : (max_char <= 65535) ? PyUnicode_2BYTE_KIND : PyUnicode_4BYTE_KIND; + kind_shift = (result_ukind == PyUnicode_4BYTE_KIND) ? 2 : result_ukind - 1; + result_udata = PyUnicode_DATA(result_uval); +#else + result_uval = PyUnicode_FromUnicode(NULL, result_ulength); + if (unlikely(!result_uval)) return NULL; + result_ukind = sizeof(Py_UNICODE); + kind_shift = (result_ukind == 4) ? 2 : result_ukind - 1; + result_udata = PyUnicode_AS_UNICODE(result_uval); +#endif + assert(kind_shift == 2 || kind_shift == 1 || kind_shift == 0); + char_pos = 0; + for (i=0; i < value_count; i++) { + int ukind; + Py_ssize_t ulength; + void *udata; + PyObject *uval = PyTuple_GET_ITEM(value_tuple, i); + if (unlikely(__Pyx_PyUnicode_READY(uval))) + goto bad; + ulength = __Pyx_PyUnicode_GET_LENGTH(uval); + if (unlikely(!ulength)) + continue; + if (unlikely((PY_SSIZE_T_MAX >> kind_shift) - ulength < char_pos)) + goto overflow; + ukind = __Pyx_PyUnicode_KIND(uval); + udata = __Pyx_PyUnicode_DATA(uval); + if (!CYTHON_PEP393_ENABLED || ukind == result_ukind) { + memcpy((char *)result_udata + (char_pos << kind_shift), udata, (size_t) (ulength << kind_shift)); + } else { + #if PY_VERSION_HEX >= 0x030d0000 + if (unlikely(PyUnicode_CopyCharacters(result_uval, char_pos, uval, 0, ulength) < 0)) goto bad; + #elif CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030300F0 || defined(_PyUnicode_FastCopyCharacters) + _PyUnicode_FastCopyCharacters(result_uval, char_pos, uval, 0, ulength); + #else + Py_ssize_t j; + for (j=0; j < ulength; j++) { + Py_UCS4 uchar = __Pyx_PyUnicode_READ(ukind, udata, j); + __Pyx_PyUnicode_WRITE(result_ukind, result_udata, char_pos+j, uchar); + } + #endif + } + char_pos += ulength; + } + return result_uval; +overflow: + PyErr_SetString(PyExc_OverflowError, "join() result is too long for a Python string"); +bad: + Py_DECREF(result_uval); + return NULL; +#else + CYTHON_UNUSED_VAR(max_char); + CYTHON_UNUSED_VAR(result_ulength); + CYTHON_UNUSED_VAR(value_count); + return PyUnicode_Join(__pyx_empty_unicode, value_tuple); +#endif +} + +/* GetAttr */ +static CYTHON_INLINE PyObject *__Pyx_GetAttr(PyObject *o, PyObject *n) { +#if CYTHON_USE_TYPE_SLOTS +#if PY_MAJOR_VERSION >= 3 + if (likely(PyUnicode_Check(n))) +#else + if (likely(PyString_Check(n))) +#endif + return __Pyx_PyObject_GetAttrStr(o, n); +#endif + return PyObject_GetAttr(o, n); +} + +/* GetItemInt */ +static PyObject *__Pyx_GetItemInt_Generic(PyObject *o, PyObject* j) { + PyObject *r; + if (unlikely(!j)) return NULL; + r = PyObject_GetItem(o, j); + Py_DECREF(j); + return r; +} +static CYTHON_INLINE PyObject *__Pyx_GetItemInt_List_Fast(PyObject *o, Py_ssize_t i, + CYTHON_NCP_UNUSED int wraparound, + CYTHON_NCP_UNUSED int boundscheck) { +#if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS + Py_ssize_t wrapped_i = i; + if (wraparound & unlikely(i < 0)) { + wrapped_i += PyList_GET_SIZE(o); + } + if ((!boundscheck) || likely(__Pyx_is_valid_index(wrapped_i, PyList_GET_SIZE(o)))) { + PyObject *r = PyList_GET_ITEM(o, wrapped_i); + Py_INCREF(r); + return r; + } + return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); +#else + return PySequence_GetItem(o, i); +#endif +} +static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Tuple_Fast(PyObject *o, Py_ssize_t i, + CYTHON_NCP_UNUSED int wraparound, + CYTHON_NCP_UNUSED int boundscheck) { +#if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS + Py_ssize_t wrapped_i = i; + if (wraparound & unlikely(i < 0)) { + wrapped_i += PyTuple_GET_SIZE(o); + } + if ((!boundscheck) || likely(__Pyx_is_valid_index(wrapped_i, PyTuple_GET_SIZE(o)))) { + PyObject *r = PyTuple_GET_ITEM(o, wrapped_i); + Py_INCREF(r); + return r; + } + return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); +#else + return PySequence_GetItem(o, i); +#endif +} +static CYTHON_INLINE PyObject *__Pyx_GetItemInt_Fast(PyObject *o, Py_ssize_t i, int is_list, + CYTHON_NCP_UNUSED int wraparound, + CYTHON_NCP_UNUSED int boundscheck) { +#if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS && CYTHON_USE_TYPE_SLOTS + if (is_list || PyList_CheckExact(o)) { + Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyList_GET_SIZE(o); + if ((!boundscheck) || (likely(__Pyx_is_valid_index(n, PyList_GET_SIZE(o))))) { + PyObject *r = PyList_GET_ITEM(o, n); + Py_INCREF(r); + return r; + } + } + else if (PyTuple_CheckExact(o)) { + Py_ssize_t n = ((!wraparound) | likely(i >= 0)) ? i : i + PyTuple_GET_SIZE(o); + if ((!boundscheck) || likely(__Pyx_is_valid_index(n, PyTuple_GET_SIZE(o)))) { + PyObject *r = PyTuple_GET_ITEM(o, n); + Py_INCREF(r); + return r; + } + } else { + PyMappingMethods *mm = Py_TYPE(o)->tp_as_mapping; + PySequenceMethods *sm = Py_TYPE(o)->tp_as_sequence; + if (mm && mm->mp_subscript) { + PyObject *r, *key = PyInt_FromSsize_t(i); + if (unlikely(!key)) return NULL; + r = mm->mp_subscript(o, key); + Py_DECREF(key); + return r; + } + if (likely(sm && sm->sq_item)) { + if (wraparound && unlikely(i < 0) && likely(sm->sq_length)) { + Py_ssize_t l = sm->sq_length(o); + if (likely(l >= 0)) { + i += l; + } else { + if (!PyErr_ExceptionMatches(PyExc_OverflowError)) + return NULL; + PyErr_Clear(); + } + } + return sm->sq_item(o, i); + } + } +#else + if (is_list || !PyMapping_Check(o)) { + return PySequence_GetItem(o, i); + } +#endif + return __Pyx_GetItemInt_Generic(o, PyInt_FromSsize_t(i)); +} + +/* PyObjectCallOneArg */ +static CYTHON_INLINE PyObject* __Pyx_PyObject_CallOneArg(PyObject *func, PyObject *arg) { + PyObject *args[2] = {NULL, arg}; + return __Pyx_PyObject_FastCall(func, args+1, 1 | __Pyx_PY_VECTORCALL_ARGUMENTS_OFFSET); +} + +/* ObjectGetItem */ +#if CYTHON_USE_TYPE_SLOTS +static PyObject *__Pyx_PyObject_GetIndex(PyObject *obj, PyObject *index) { + PyObject *runerr = NULL; + Py_ssize_t key_value; + key_value = __Pyx_PyIndex_AsSsize_t(index); + if (likely(key_value != -1 || !(runerr = PyErr_Occurred()))) { + return __Pyx_GetItemInt_Fast(obj, key_value, 0, 1, 1); + } + if (PyErr_GivenExceptionMatches(runerr, PyExc_OverflowError)) { + __Pyx_TypeName index_type_name = __Pyx_PyType_GetName(Py_TYPE(index)); + PyErr_Clear(); + PyErr_Format(PyExc_IndexError, + "cannot fit '" __Pyx_FMT_TYPENAME "' into an index-sized integer", index_type_name); + __Pyx_DECREF_TypeName(index_type_name); + } + return NULL; +} +static PyObject *__Pyx_PyObject_GetItem_Slow(PyObject *obj, PyObject *key) { + __Pyx_TypeName obj_type_name; + if (likely(PyType_Check(obj))) { + PyObject *meth = __Pyx_PyObject_GetAttrStrNoError(obj, __pyx_n_s_class_getitem); + if (!meth) { + PyErr_Clear(); + } else { + PyObject *result = __Pyx_PyObject_CallOneArg(meth, key); + Py_DECREF(meth); + return result; + } + } + obj_type_name = __Pyx_PyType_GetName(Py_TYPE(obj)); + PyErr_Format(PyExc_TypeError, + "'" __Pyx_FMT_TYPENAME "' object is not subscriptable", obj_type_name); + __Pyx_DECREF_TypeName(obj_type_name); + return NULL; +} +static PyObject *__Pyx_PyObject_GetItem(PyObject *obj, PyObject *key) { + PyTypeObject *tp = Py_TYPE(obj); + PyMappingMethods *mm = tp->tp_as_mapping; + PySequenceMethods *sm = tp->tp_as_sequence; + if (likely(mm && mm->mp_subscript)) { + return mm->mp_subscript(obj, key); + } + if (likely(sm && sm->sq_item)) { + return __Pyx_PyObject_GetIndex(obj, key); + } + return __Pyx_PyObject_GetItem_Slow(obj, key); +} +#endif + +/* KeywordStringCheck */ +static int __Pyx_CheckKeywordStrings( + PyObject *kw, + const char* function_name, + int kw_allowed) +{ + PyObject* key = 0; + Py_ssize_t pos = 0; +#if CYTHON_COMPILING_IN_PYPY + if (!kw_allowed && PyDict_Next(kw, &pos, &key, 0)) + goto invalid_keyword; + return 1; +#else + if (CYTHON_METH_FASTCALL && likely(PyTuple_Check(kw))) { + Py_ssize_t kwsize; +#if CYTHON_ASSUME_SAFE_MACROS + kwsize = PyTuple_GET_SIZE(kw); +#else + kwsize = PyTuple_Size(kw); + if (kwsize < 0) return 0; +#endif + if (unlikely(kwsize == 0)) + return 1; + if (!kw_allowed) { +#if CYTHON_ASSUME_SAFE_MACROS + key = PyTuple_GET_ITEM(kw, 0); +#else + key = PyTuple_GetItem(kw, pos); + if (!key) return 0; +#endif + goto invalid_keyword; + } +#if PY_VERSION_HEX < 0x03090000 + for (pos = 0; pos < kwsize; pos++) { +#if CYTHON_ASSUME_SAFE_MACROS + key = PyTuple_GET_ITEM(kw, pos); +#else + key = PyTuple_GetItem(kw, pos); + if (!key) return 0; +#endif + if (unlikely(!PyUnicode_Check(key))) + goto invalid_keyword_type; + } +#endif + return 1; + } + while (PyDict_Next(kw, &pos, &key, 0)) { + #if PY_MAJOR_VERSION < 3 + if (unlikely(!PyString_Check(key))) + #endif + if (unlikely(!PyUnicode_Check(key))) + goto invalid_keyword_type; + } + if (!kw_allowed && unlikely(key)) + goto invalid_keyword; + return 1; +invalid_keyword_type: + PyErr_Format(PyExc_TypeError, + "%.200s() keywords must be strings", function_name); + return 0; +#endif +invalid_keyword: + #if PY_MAJOR_VERSION < 3 + PyErr_Format(PyExc_TypeError, + "%.200s() got an unexpected keyword argument '%.200s'", + function_name, PyString_AsString(key)); + #else + PyErr_Format(PyExc_TypeError, + "%s() got an unexpected keyword argument '%U'", + function_name, key); + #endif + return 0; +} + +/* DivInt[Py_ssize_t] */ +static CYTHON_INLINE Py_ssize_t __Pyx_div_Py_ssize_t(Py_ssize_t a, Py_ssize_t b) { + Py_ssize_t q = a / b; + Py_ssize_t r = a - q*b; + q -= ((r != 0) & ((r ^ b) < 0)); + return q; +} + +/* GetAttr3 */ +#if __PYX_LIMITED_VERSION_HEX < 0x030d00A1 +static PyObject *__Pyx_GetAttr3Default(PyObject *d) { + __Pyx_PyThreadState_declare + __Pyx_PyThreadState_assign + if (unlikely(!__Pyx_PyErr_ExceptionMatches(PyExc_AttributeError))) + return NULL; + __Pyx_PyErr_Clear(); + Py_INCREF(d); + return d; +} +#endif +static CYTHON_INLINE PyObject *__Pyx_GetAttr3(PyObject *o, PyObject *n, PyObject *d) { + PyObject *r; +#if __PYX_LIMITED_VERSION_HEX >= 0x030d00A1 + int res = PyObject_GetOptionalAttr(o, n, &r); + return (res != 0) ? r : __Pyx_NewRef(d); +#else + #if CYTHON_USE_TYPE_SLOTS + if (likely(PyString_Check(n))) { + r = __Pyx_PyObject_GetAttrStrNoError(o, n); + if (unlikely(!r) && likely(!PyErr_Occurred())) { + r = __Pyx_NewRef(d); + } + return r; + } + #endif + r = PyObject_GetAttr(o, n); + return (likely(r)) ? r : __Pyx_GetAttr3Default(d); +#endif +} + +/* PyDictVersioning */ +#if CYTHON_USE_DICT_VERSIONS && CYTHON_USE_TYPE_SLOTS +static CYTHON_INLINE PY_UINT64_T __Pyx_get_tp_dict_version(PyObject *obj) { + PyObject *dict = Py_TYPE(obj)->tp_dict; + return likely(dict) ? __PYX_GET_DICT_VERSION(dict) : 0; +} +static CYTHON_INLINE PY_UINT64_T __Pyx_get_object_dict_version(PyObject *obj) { + PyObject **dictptr = NULL; + Py_ssize_t offset = Py_TYPE(obj)->tp_dictoffset; + if (offset) { +#if CYTHON_COMPILING_IN_CPYTHON + dictptr = (likely(offset > 0)) ? (PyObject **) ((char *)obj + offset) : _PyObject_GetDictPtr(obj); +#else + dictptr = _PyObject_GetDictPtr(obj); +#endif + } + return (dictptr && *dictptr) ? __PYX_GET_DICT_VERSION(*dictptr) : 0; +} +static CYTHON_INLINE int __Pyx_object_dict_version_matches(PyObject* obj, PY_UINT64_T tp_dict_version, PY_UINT64_T obj_dict_version) { + PyObject *dict = Py_TYPE(obj)->tp_dict; + if (unlikely(!dict) || unlikely(tp_dict_version != __PYX_GET_DICT_VERSION(dict))) + return 0; + return obj_dict_version == __Pyx_get_object_dict_version(obj); +} +#endif + +/* GetModuleGlobalName */ +#if CYTHON_USE_DICT_VERSIONS +static PyObject *__Pyx__GetModuleGlobalName(PyObject *name, PY_UINT64_T *dict_version, PyObject **dict_cached_value) +#else +static CYTHON_INLINE PyObject *__Pyx__GetModuleGlobalName(PyObject *name) +#endif +{ + PyObject *result; +#if !CYTHON_AVOID_BORROWED_REFS +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030500A1 && PY_VERSION_HEX < 0x030d0000 + result = _PyDict_GetItem_KnownHash(__pyx_d, name, ((PyASCIIObject *) name)->hash); + __PYX_UPDATE_DICT_CACHE(__pyx_d, result, *dict_cached_value, *dict_version) + if (likely(result)) { + return __Pyx_NewRef(result); + } else if (unlikely(PyErr_Occurred())) { + return NULL; + } +#elif CYTHON_COMPILING_IN_LIMITED_API + if (unlikely(!__pyx_m)) { + return NULL; + } + result = PyObject_GetAttr(__pyx_m, name); + if (likely(result)) { + return result; + } +#else + result = PyDict_GetItem(__pyx_d, name); + __PYX_UPDATE_DICT_CACHE(__pyx_d, result, *dict_cached_value, *dict_version) + if (likely(result)) { + return __Pyx_NewRef(result); + } +#endif +#else + result = PyObject_GetItem(__pyx_d, name); + __PYX_UPDATE_DICT_CACHE(__pyx_d, result, *dict_cached_value, *dict_version) + if (likely(result)) { + return __Pyx_NewRef(result); + } + PyErr_Clear(); +#endif + return __Pyx_GetBuiltinName(name); +} + +/* RaiseTooManyValuesToUnpack */ +static CYTHON_INLINE void __Pyx_RaiseTooManyValuesError(Py_ssize_t expected) { + PyErr_Format(PyExc_ValueError, + "too many values to unpack (expected %" CYTHON_FORMAT_SSIZE_T "d)", expected); +} + +/* RaiseNeedMoreValuesToUnpack */ +static CYTHON_INLINE void __Pyx_RaiseNeedMoreValuesError(Py_ssize_t index) { + PyErr_Format(PyExc_ValueError, + "need more than %" CYTHON_FORMAT_SSIZE_T "d value%.1s to unpack", + index, (index == 1) ? "" : "s"); +} + +/* RaiseNoneIterError */ +static CYTHON_INLINE void __Pyx_RaiseNoneNotIterableError(void) { + PyErr_SetString(PyExc_TypeError, "'NoneType' object is not iterable"); +} + +/* ExtTypeTest */ +static CYTHON_INLINE int __Pyx_TypeTest(PyObject *obj, PyTypeObject *type) { + __Pyx_TypeName obj_type_name; + __Pyx_TypeName type_name; + if (unlikely(!type)) { + PyErr_SetString(PyExc_SystemError, "Missing type object"); + return 0; + } + if (likely(__Pyx_TypeCheck(obj, type))) + return 1; + obj_type_name = __Pyx_PyType_GetName(Py_TYPE(obj)); + type_name = __Pyx_PyType_GetName(type); + PyErr_Format(PyExc_TypeError, + "Cannot convert " __Pyx_FMT_TYPENAME " to " __Pyx_FMT_TYPENAME, + obj_type_name, type_name); + __Pyx_DECREF_TypeName(obj_type_name); + __Pyx_DECREF_TypeName(type_name); + return 0; +} + +/* GetTopmostException */ +#if CYTHON_USE_EXC_INFO_STACK && CYTHON_FAST_THREAD_STATE +static _PyErr_StackItem * +__Pyx_PyErr_GetTopmostException(PyThreadState *tstate) +{ + _PyErr_StackItem *exc_info = tstate->exc_info; + while ((exc_info->exc_value == NULL || exc_info->exc_value == Py_None) && + exc_info->previous_item != NULL) + { + exc_info = exc_info->previous_item; + } + return exc_info; +} +#endif + +/* SaveResetException */ +#if CYTHON_FAST_THREAD_STATE +static CYTHON_INLINE void __Pyx__ExceptionSave(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb) { + #if CYTHON_USE_EXC_INFO_STACK && PY_VERSION_HEX >= 0x030B00a4 + _PyErr_StackItem *exc_info = __Pyx_PyErr_GetTopmostException(tstate); + PyObject *exc_value = exc_info->exc_value; + if (exc_value == NULL || exc_value == Py_None) { + *value = NULL; + *type = NULL; + *tb = NULL; + } else { + *value = exc_value; + Py_INCREF(*value); + *type = (PyObject*) Py_TYPE(exc_value); + Py_INCREF(*type); + *tb = PyException_GetTraceback(exc_value); + } + #elif CYTHON_USE_EXC_INFO_STACK + _PyErr_StackItem *exc_info = __Pyx_PyErr_GetTopmostException(tstate); + *type = exc_info->exc_type; + *value = exc_info->exc_value; + *tb = exc_info->exc_traceback; + Py_XINCREF(*type); + Py_XINCREF(*value); + Py_XINCREF(*tb); + #else + *type = tstate->exc_type; + *value = tstate->exc_value; + *tb = tstate->exc_traceback; + Py_XINCREF(*type); + Py_XINCREF(*value); + Py_XINCREF(*tb); + #endif +} +static CYTHON_INLINE void __Pyx__ExceptionReset(PyThreadState *tstate, PyObject *type, PyObject *value, PyObject *tb) { + #if CYTHON_USE_EXC_INFO_STACK && PY_VERSION_HEX >= 0x030B00a4 + _PyErr_StackItem *exc_info = tstate->exc_info; + PyObject *tmp_value = exc_info->exc_value; + exc_info->exc_value = value; + Py_XDECREF(tmp_value); + Py_XDECREF(type); + Py_XDECREF(tb); + #else + PyObject *tmp_type, *tmp_value, *tmp_tb; + #if CYTHON_USE_EXC_INFO_STACK + _PyErr_StackItem *exc_info = tstate->exc_info; + tmp_type = exc_info->exc_type; + tmp_value = exc_info->exc_value; + tmp_tb = exc_info->exc_traceback; + exc_info->exc_type = type; + exc_info->exc_value = value; + exc_info->exc_traceback = tb; + #else + tmp_type = tstate->exc_type; + tmp_value = tstate->exc_value; + tmp_tb = tstate->exc_traceback; + tstate->exc_type = type; + tstate->exc_value = value; + tstate->exc_traceback = tb; + #endif + Py_XDECREF(tmp_type); + Py_XDECREF(tmp_value); + Py_XDECREF(tmp_tb); + #endif +} +#endif + +/* GetException */ +#if CYTHON_FAST_THREAD_STATE +static int __Pyx__GetException(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb) +#else +static int __Pyx_GetException(PyObject **type, PyObject **value, PyObject **tb) +#endif +{ + PyObject *local_type = NULL, *local_value, *local_tb = NULL; +#if CYTHON_FAST_THREAD_STATE + PyObject *tmp_type, *tmp_value, *tmp_tb; + #if PY_VERSION_HEX >= 0x030C00A6 + local_value = tstate->current_exception; + tstate->current_exception = 0; + if (likely(local_value)) { + local_type = (PyObject*) Py_TYPE(local_value); + Py_INCREF(local_type); + local_tb = PyException_GetTraceback(local_value); + } + #else + local_type = tstate->curexc_type; + local_value = tstate->curexc_value; + local_tb = tstate->curexc_traceback; + tstate->curexc_type = 0; + tstate->curexc_value = 0; + tstate->curexc_traceback = 0; + #endif +#else + PyErr_Fetch(&local_type, &local_value, &local_tb); +#endif + PyErr_NormalizeException(&local_type, &local_value, &local_tb); +#if CYTHON_FAST_THREAD_STATE && PY_VERSION_HEX >= 0x030C00A6 + if (unlikely(tstate->current_exception)) +#elif CYTHON_FAST_THREAD_STATE + if (unlikely(tstate->curexc_type)) +#else + if (unlikely(PyErr_Occurred())) +#endif + goto bad; + #if PY_MAJOR_VERSION >= 3 + if (local_tb) { + if (unlikely(PyException_SetTraceback(local_value, local_tb) < 0)) + goto bad; + } + #endif + Py_XINCREF(local_tb); + Py_XINCREF(local_type); + Py_XINCREF(local_value); + *type = local_type; + *value = local_value; + *tb = local_tb; +#if CYTHON_FAST_THREAD_STATE + #if CYTHON_USE_EXC_INFO_STACK + { + _PyErr_StackItem *exc_info = tstate->exc_info; + #if PY_VERSION_HEX >= 0x030B00a4 + tmp_value = exc_info->exc_value; + exc_info->exc_value = local_value; + tmp_type = NULL; + tmp_tb = NULL; + Py_XDECREF(local_type); + Py_XDECREF(local_tb); + #else + tmp_type = exc_info->exc_type; + tmp_value = exc_info->exc_value; + tmp_tb = exc_info->exc_traceback; + exc_info->exc_type = local_type; + exc_info->exc_value = local_value; + exc_info->exc_traceback = local_tb; + #endif + } + #else + tmp_type = tstate->exc_type; + tmp_value = tstate->exc_value; + tmp_tb = tstate->exc_traceback; + tstate->exc_type = local_type; + tstate->exc_value = local_value; + tstate->exc_traceback = local_tb; + #endif + Py_XDECREF(tmp_type); + Py_XDECREF(tmp_value); + Py_XDECREF(tmp_tb); +#else + PyErr_SetExcInfo(local_type, local_value, local_tb); +#endif + return 0; +bad: + *type = 0; + *value = 0; + *tb = 0; + Py_XDECREF(local_type); + Py_XDECREF(local_value); + Py_XDECREF(local_tb); + return -1; +} + +/* SwapException */ +#if CYTHON_FAST_THREAD_STATE +static CYTHON_INLINE void __Pyx__ExceptionSwap(PyThreadState *tstate, PyObject **type, PyObject **value, PyObject **tb) { + PyObject *tmp_type, *tmp_value, *tmp_tb; + #if CYTHON_USE_EXC_INFO_STACK && PY_VERSION_HEX >= 0x030B00a4 + _PyErr_StackItem *exc_info = tstate->exc_info; + tmp_value = exc_info->exc_value; + exc_info->exc_value = *value; + if (tmp_value == NULL || tmp_value == Py_None) { + Py_XDECREF(tmp_value); + tmp_value = NULL; + tmp_type = NULL; + tmp_tb = NULL; + } else { + tmp_type = (PyObject*) Py_TYPE(tmp_value); + Py_INCREF(tmp_type); + #if CYTHON_COMPILING_IN_CPYTHON + tmp_tb = ((PyBaseExceptionObject*) tmp_value)->traceback; + Py_XINCREF(tmp_tb); + #else + tmp_tb = PyException_GetTraceback(tmp_value); + #endif + } + #elif CYTHON_USE_EXC_INFO_STACK + _PyErr_StackItem *exc_info = tstate->exc_info; + tmp_type = exc_info->exc_type; + tmp_value = exc_info->exc_value; + tmp_tb = exc_info->exc_traceback; + exc_info->exc_type = *type; + exc_info->exc_value = *value; + exc_info->exc_traceback = *tb; + #else + tmp_type = tstate->exc_type; + tmp_value = tstate->exc_value; + tmp_tb = tstate->exc_traceback; + tstate->exc_type = *type; + tstate->exc_value = *value; + tstate->exc_traceback = *tb; + #endif + *type = tmp_type; + *value = tmp_value; + *tb = tmp_tb; +} +#else +static CYTHON_INLINE void __Pyx_ExceptionSwap(PyObject **type, PyObject **value, PyObject **tb) { + PyObject *tmp_type, *tmp_value, *tmp_tb; + PyErr_GetExcInfo(&tmp_type, &tmp_value, &tmp_tb); + PyErr_SetExcInfo(*type, *value, *tb); + *type = tmp_type; + *value = tmp_value; + *tb = tmp_tb; +} +#endif + +/* Import */ +static PyObject *__Pyx_Import(PyObject *name, PyObject *from_list, int level) { + PyObject *module = 0; + PyObject *empty_dict = 0; + PyObject *empty_list = 0; + #if PY_MAJOR_VERSION < 3 + PyObject *py_import; + py_import = __Pyx_PyObject_GetAttrStr(__pyx_b, __pyx_n_s_import); + if (unlikely(!py_import)) + goto bad; + if (!from_list) { + empty_list = PyList_New(0); + if (unlikely(!empty_list)) + goto bad; + from_list = empty_list; + } + #endif + empty_dict = PyDict_New(); + if (unlikely(!empty_dict)) + goto bad; + { + #if PY_MAJOR_VERSION >= 3 + if (level == -1) { + if (strchr(__Pyx_MODULE_NAME, '.') != NULL) { + module = PyImport_ImportModuleLevelObject( + name, __pyx_d, empty_dict, from_list, 1); + if (unlikely(!module)) { + if (unlikely(!PyErr_ExceptionMatches(PyExc_ImportError))) + goto bad; + PyErr_Clear(); + } + } + level = 0; + } + #endif + if (!module) { + #if PY_MAJOR_VERSION < 3 + PyObject *py_level = PyInt_FromLong(level); + if (unlikely(!py_level)) + goto bad; + module = PyObject_CallFunctionObjArgs(py_import, + name, __pyx_d, empty_dict, from_list, py_level, (PyObject *)NULL); + Py_DECREF(py_level); + #else + module = PyImport_ImportModuleLevelObject( + name, __pyx_d, empty_dict, from_list, level); + #endif + } + } +bad: + Py_XDECREF(empty_dict); + Py_XDECREF(empty_list); + #if PY_MAJOR_VERSION < 3 + Py_XDECREF(py_import); + #endif + return module; +} + +/* ImportDottedModule */ +#if PY_MAJOR_VERSION >= 3 +static PyObject *__Pyx__ImportDottedModule_Error(PyObject *name, PyObject *parts_tuple, Py_ssize_t count) { + PyObject *partial_name = NULL, *slice = NULL, *sep = NULL; + if (unlikely(PyErr_Occurred())) { + PyErr_Clear(); + } + if (likely(PyTuple_GET_SIZE(parts_tuple) == count)) { + partial_name = name; + } else { + slice = PySequence_GetSlice(parts_tuple, 0, count); + if (unlikely(!slice)) + goto bad; + sep = PyUnicode_FromStringAndSize(".", 1); + if (unlikely(!sep)) + goto bad; + partial_name = PyUnicode_Join(sep, slice); + } + PyErr_Format( +#if PY_MAJOR_VERSION < 3 + PyExc_ImportError, + "No module named '%s'", PyString_AS_STRING(partial_name)); +#else +#if PY_VERSION_HEX >= 0x030600B1 + PyExc_ModuleNotFoundError, +#else + PyExc_ImportError, +#endif + "No module named '%U'", partial_name); +#endif +bad: + Py_XDECREF(sep); + Py_XDECREF(slice); + Py_XDECREF(partial_name); + return NULL; +} +#endif +#if PY_MAJOR_VERSION >= 3 +static PyObject *__Pyx__ImportDottedModule_Lookup(PyObject *name) { + PyObject *imported_module; +#if PY_VERSION_HEX < 0x030700A1 || (CYTHON_COMPILING_IN_PYPY && PYPY_VERSION_NUM < 0x07030400) + PyObject *modules = PyImport_GetModuleDict(); + if (unlikely(!modules)) + return NULL; + imported_module = __Pyx_PyDict_GetItemStr(modules, name); + Py_XINCREF(imported_module); +#else + imported_module = PyImport_GetModule(name); +#endif + return imported_module; +} +#endif +#if PY_MAJOR_VERSION >= 3 +static PyObject *__Pyx_ImportDottedModule_WalkParts(PyObject *module, PyObject *name, PyObject *parts_tuple) { + Py_ssize_t i, nparts; + nparts = PyTuple_GET_SIZE(parts_tuple); + for (i=1; i < nparts && module; i++) { + PyObject *part, *submodule; +#if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS + part = PyTuple_GET_ITEM(parts_tuple, i); +#else + part = PySequence_ITEM(parts_tuple, i); +#endif + submodule = __Pyx_PyObject_GetAttrStrNoError(module, part); +#if !(CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS) + Py_DECREF(part); +#endif + Py_DECREF(module); + module = submodule; + } + if (unlikely(!module)) { + return __Pyx__ImportDottedModule_Error(name, parts_tuple, i); + } + return module; +} +#endif +static PyObject *__Pyx__ImportDottedModule(PyObject *name, PyObject *parts_tuple) { +#if PY_MAJOR_VERSION < 3 + PyObject *module, *from_list, *star = __pyx_n_s__3; + CYTHON_UNUSED_VAR(parts_tuple); + from_list = PyList_New(1); + if (unlikely(!from_list)) + return NULL; + Py_INCREF(star); + PyList_SET_ITEM(from_list, 0, star); + module = __Pyx_Import(name, from_list, 0); + Py_DECREF(from_list); + return module; +#else + PyObject *imported_module; + PyObject *module = __Pyx_Import(name, NULL, 0); + if (!parts_tuple || unlikely(!module)) + return module; + imported_module = __Pyx__ImportDottedModule_Lookup(name); + if (likely(imported_module)) { + Py_DECREF(module); + return imported_module; + } + PyErr_Clear(); + return __Pyx_ImportDottedModule_WalkParts(module, name, parts_tuple); +#endif +} +static PyObject *__Pyx_ImportDottedModule(PyObject *name, PyObject *parts_tuple) { +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX >= 0x030400B1 + PyObject *module = __Pyx__ImportDottedModule_Lookup(name); + if (likely(module)) { + PyObject *spec = __Pyx_PyObject_GetAttrStrNoError(module, __pyx_n_s_spec); + if (likely(spec)) { + PyObject *unsafe = __Pyx_PyObject_GetAttrStrNoError(spec, __pyx_n_s_initializing); + if (likely(!unsafe || !__Pyx_PyObject_IsTrue(unsafe))) { + Py_DECREF(spec); + spec = NULL; + } + Py_XDECREF(unsafe); + } + if (likely(!spec)) { + PyErr_Clear(); + return module; + } + Py_DECREF(spec); + Py_DECREF(module); + } else if (PyErr_Occurred()) { + PyErr_Clear(); + } +#endif + return __Pyx__ImportDottedModule(name, parts_tuple); +} + +/* FastTypeChecks */ +#if CYTHON_COMPILING_IN_CPYTHON +static int __Pyx_InBases(PyTypeObject *a, PyTypeObject *b) { + while (a) { + a = __Pyx_PyType_GetSlot(a, tp_base, PyTypeObject*); + if (a == b) + return 1; + } + return b == &PyBaseObject_Type; +} +static CYTHON_INLINE int __Pyx_IsSubtype(PyTypeObject *a, PyTypeObject *b) { + PyObject *mro; + if (a == b) return 1; + mro = a->tp_mro; + if (likely(mro)) { + Py_ssize_t i, n; + n = PyTuple_GET_SIZE(mro); + for (i = 0; i < n; i++) { + if (PyTuple_GET_ITEM(mro, i) == (PyObject *)b) + return 1; + } + return 0; + } + return __Pyx_InBases(a, b); +} +static CYTHON_INLINE int __Pyx_IsAnySubtype2(PyTypeObject *cls, PyTypeObject *a, PyTypeObject *b) { + PyObject *mro; + if (cls == a || cls == b) return 1; + mro = cls->tp_mro; + if (likely(mro)) { + Py_ssize_t i, n; + n = PyTuple_GET_SIZE(mro); + for (i = 0; i < n; i++) { + PyObject *base = PyTuple_GET_ITEM(mro, i); + if (base == (PyObject *)a || base == (PyObject *)b) + return 1; + } + return 0; + } + return __Pyx_InBases(cls, a) || __Pyx_InBases(cls, b); +} +#if PY_MAJOR_VERSION == 2 +static int __Pyx_inner_PyErr_GivenExceptionMatches2(PyObject *err, PyObject* exc_type1, PyObject* exc_type2) { + PyObject *exception, *value, *tb; + int res; + __Pyx_PyThreadState_declare + __Pyx_PyThreadState_assign + __Pyx_ErrFetch(&exception, &value, &tb); + res = exc_type1 ? PyObject_IsSubclass(err, exc_type1) : 0; + if (unlikely(res == -1)) { + PyErr_WriteUnraisable(err); + res = 0; + } + if (!res) { + res = PyObject_IsSubclass(err, exc_type2); + if (unlikely(res == -1)) { + PyErr_WriteUnraisable(err); + res = 0; + } + } + __Pyx_ErrRestore(exception, value, tb); + return res; +} +#else +static CYTHON_INLINE int __Pyx_inner_PyErr_GivenExceptionMatches2(PyObject *err, PyObject* exc_type1, PyObject *exc_type2) { + if (exc_type1) { + return __Pyx_IsAnySubtype2((PyTypeObject*)err, (PyTypeObject*)exc_type1, (PyTypeObject*)exc_type2); + } else { + return __Pyx_IsSubtype((PyTypeObject*)err, (PyTypeObject*)exc_type2); + } +} +#endif +static int __Pyx_PyErr_GivenExceptionMatchesTuple(PyObject *exc_type, PyObject *tuple) { + Py_ssize_t i, n; + assert(PyExceptionClass_Check(exc_type)); + n = PyTuple_GET_SIZE(tuple); +#if PY_MAJOR_VERSION >= 3 + for (i=0; itp_as_sequence && type->tp_as_sequence->sq_repeat)) { + return type->tp_as_sequence->sq_repeat(seq, mul); + } else +#endif + { + return __Pyx_PySequence_Multiply_Generic(seq, mul); + } +} + +/* SetItemInt */ +static int __Pyx_SetItemInt_Generic(PyObject *o, PyObject *j, PyObject *v) { + int r; + if (unlikely(!j)) return -1; + r = PyObject_SetItem(o, j, v); + Py_DECREF(j); + return r; +} +static CYTHON_INLINE int __Pyx_SetItemInt_Fast(PyObject *o, Py_ssize_t i, PyObject *v, int is_list, + CYTHON_NCP_UNUSED int wraparound, CYTHON_NCP_UNUSED int boundscheck) { +#if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS && CYTHON_USE_TYPE_SLOTS + if (is_list || PyList_CheckExact(o)) { + Py_ssize_t n = (!wraparound) ? i : ((likely(i >= 0)) ? i : i + PyList_GET_SIZE(o)); + if ((!boundscheck) || likely(__Pyx_is_valid_index(n, PyList_GET_SIZE(o)))) { + PyObject* old = PyList_GET_ITEM(o, n); + Py_INCREF(v); + PyList_SET_ITEM(o, n, v); + Py_DECREF(old); + return 1; + } + } else { + PyMappingMethods *mm = Py_TYPE(o)->tp_as_mapping; + PySequenceMethods *sm = Py_TYPE(o)->tp_as_sequence; + if (mm && mm->mp_ass_subscript) { + int r; + PyObject *key = PyInt_FromSsize_t(i); + if (unlikely(!key)) return -1; + r = mm->mp_ass_subscript(o, key, v); + Py_DECREF(key); + return r; + } + if (likely(sm && sm->sq_ass_item)) { + if (wraparound && unlikely(i < 0) && likely(sm->sq_length)) { + Py_ssize_t l = sm->sq_length(o); + if (likely(l >= 0)) { + i += l; + } else { + if (!PyErr_ExceptionMatches(PyExc_OverflowError)) + return -1; + PyErr_Clear(); + } + } + return sm->sq_ass_item(o, i, v); + } + } +#else + if (is_list || !PyMapping_Check(o)) + { + return PySequence_SetItem(o, i, v); + } +#endif + return __Pyx_SetItemInt_Generic(o, PyInt_FromSsize_t(i), v); +} + +/* RaiseUnboundLocalError */ +static CYTHON_INLINE void __Pyx_RaiseUnboundLocalError(const char *varname) { + PyErr_Format(PyExc_UnboundLocalError, "local variable '%s' referenced before assignment", varname); +} + +/* DivInt[long] */ +static CYTHON_INLINE long __Pyx_div_long(long a, long b) { + long q = a / b; + long r = a - q*b; + q -= ((r != 0) & ((r ^ b) < 0)); + return q; +} + +/* ImportFrom */ +static PyObject* __Pyx_ImportFrom(PyObject* module, PyObject* name) { + PyObject* value = __Pyx_PyObject_GetAttrStr(module, name); + if (unlikely(!value) && PyErr_ExceptionMatches(PyExc_AttributeError)) { + const char* module_name_str = 0; + PyObject* module_name = 0; + PyObject* module_dot = 0; + PyObject* full_name = 0; + PyErr_Clear(); + module_name_str = PyModule_GetName(module); + if (unlikely(!module_name_str)) { goto modbad; } + module_name = PyUnicode_FromString(module_name_str); + if (unlikely(!module_name)) { goto modbad; } + module_dot = PyUnicode_Concat(module_name, __pyx_kp_u__2); + if (unlikely(!module_dot)) { goto modbad; } + full_name = PyUnicode_Concat(module_dot, name); + if (unlikely(!full_name)) { goto modbad; } + #if PY_VERSION_HEX < 0x030700A1 || (CYTHON_COMPILING_IN_PYPY && PYPY_VERSION_NUM < 0x07030400) + { + PyObject *modules = PyImport_GetModuleDict(); + if (unlikely(!modules)) + goto modbad; + value = PyObject_GetItem(modules, full_name); + } + #else + value = PyImport_GetModule(full_name); + #endif + modbad: + Py_XDECREF(full_name); + Py_XDECREF(module_dot); + Py_XDECREF(module_name); + } + if (unlikely(!value)) { + PyErr_Format(PyExc_ImportError, + #if PY_MAJOR_VERSION < 3 + "cannot import name %.230s", PyString_AS_STRING(name)); + #else + "cannot import name %S", name); + #endif + } + return value; +} + +/* HasAttr */ +static CYTHON_INLINE int __Pyx_HasAttr(PyObject *o, PyObject *n) { + PyObject *r; + if (unlikely(!__Pyx_PyBaseString_Check(n))) { + PyErr_SetString(PyExc_TypeError, + "hasattr(): attribute name must be string"); + return -1; + } + r = __Pyx_GetAttr(o, n); + if (!r) { + PyErr_Clear(); + return 0; + } else { + Py_DECREF(r); + return 1; + } +} + +/* PyObject_GenericGetAttrNoDict */ +#if CYTHON_USE_TYPE_SLOTS && CYTHON_USE_PYTYPE_LOOKUP && PY_VERSION_HEX < 0x03070000 +static PyObject *__Pyx_RaiseGenericGetAttributeError(PyTypeObject *tp, PyObject *attr_name) { + __Pyx_TypeName type_name = __Pyx_PyType_GetName(tp); + PyErr_Format(PyExc_AttributeError, +#if PY_MAJOR_VERSION >= 3 + "'" __Pyx_FMT_TYPENAME "' object has no attribute '%U'", + type_name, attr_name); +#else + "'" __Pyx_FMT_TYPENAME "' object has no attribute '%.400s'", + type_name, PyString_AS_STRING(attr_name)); +#endif + __Pyx_DECREF_TypeName(type_name); + return NULL; +} +static CYTHON_INLINE PyObject* __Pyx_PyObject_GenericGetAttrNoDict(PyObject* obj, PyObject* attr_name) { + PyObject *descr; + PyTypeObject *tp = Py_TYPE(obj); + if (unlikely(!PyString_Check(attr_name))) { + return PyObject_GenericGetAttr(obj, attr_name); + } + assert(!tp->tp_dictoffset); + descr = _PyType_Lookup(tp, attr_name); + if (unlikely(!descr)) { + return __Pyx_RaiseGenericGetAttributeError(tp, attr_name); + } + Py_INCREF(descr); + #if PY_MAJOR_VERSION < 3 + if (likely(PyType_HasFeature(Py_TYPE(descr), Py_TPFLAGS_HAVE_CLASS))) + #endif + { + descrgetfunc f = Py_TYPE(descr)->tp_descr_get; + if (unlikely(f)) { + PyObject *res = f(descr, obj, (PyObject *)tp); + Py_DECREF(descr); + return res; + } + } + return descr; +} +#endif + +/* PyObject_GenericGetAttr */ +#if CYTHON_USE_TYPE_SLOTS && CYTHON_USE_PYTYPE_LOOKUP && PY_VERSION_HEX < 0x03070000 +static PyObject* __Pyx_PyObject_GenericGetAttr(PyObject* obj, PyObject* attr_name) { + if (unlikely(Py_TYPE(obj)->tp_dictoffset)) { + return PyObject_GenericGetAttr(obj, attr_name); + } + return __Pyx_PyObject_GenericGetAttrNoDict(obj, attr_name); +} +#endif + +/* FixUpExtensionType */ +#if CYTHON_USE_TYPE_SPECS +static int __Pyx_fix_up_extension_type_from_spec(PyType_Spec *spec, PyTypeObject *type) { +#if PY_VERSION_HEX > 0x030900B1 || CYTHON_COMPILING_IN_LIMITED_API + CYTHON_UNUSED_VAR(spec); + CYTHON_UNUSED_VAR(type); +#else + const PyType_Slot *slot = spec->slots; + while (slot && slot->slot && slot->slot != Py_tp_members) + slot++; + if (slot && slot->slot == Py_tp_members) { + int changed = 0; +#if !(PY_VERSION_HEX <= 0x030900b1 && CYTHON_COMPILING_IN_CPYTHON) + const +#endif + PyMemberDef *memb = (PyMemberDef*) slot->pfunc; + while (memb && memb->name) { + if (memb->name[0] == '_' && memb->name[1] == '_') { +#if PY_VERSION_HEX < 0x030900b1 + if (strcmp(memb->name, "__weaklistoffset__") == 0) { + assert(memb->type == T_PYSSIZET); + assert(memb->flags == READONLY); + type->tp_weaklistoffset = memb->offset; + changed = 1; + } + else if (strcmp(memb->name, "__dictoffset__") == 0) { + assert(memb->type == T_PYSSIZET); + assert(memb->flags == READONLY); + type->tp_dictoffset = memb->offset; + changed = 1; + } +#if CYTHON_METH_FASTCALL + else if (strcmp(memb->name, "__vectorcalloffset__") == 0) { + assert(memb->type == T_PYSSIZET); + assert(memb->flags == READONLY); +#if PY_VERSION_HEX >= 0x030800b4 + type->tp_vectorcall_offset = memb->offset; +#else + type->tp_print = (printfunc) memb->offset; +#endif + changed = 1; + } +#endif +#else + if ((0)); +#endif +#if PY_VERSION_HEX <= 0x030900b1 && CYTHON_COMPILING_IN_CPYTHON + else if (strcmp(memb->name, "__module__") == 0) { + PyObject *descr; + assert(memb->type == T_OBJECT); + assert(memb->flags == 0 || memb->flags == READONLY); + descr = PyDescr_NewMember(type, memb); + if (unlikely(!descr)) + return -1; + if (unlikely(PyDict_SetItem(type->tp_dict, PyDescr_NAME(descr), descr) < 0)) { + Py_DECREF(descr); + return -1; + } + Py_DECREF(descr); + changed = 1; + } +#endif + } + memb++; + } + if (changed) + PyType_Modified(type); + } +#endif + return 0; +} +#endif + +/* PyObjectCallNoArg */ +static CYTHON_INLINE PyObject* __Pyx_PyObject_CallNoArg(PyObject *func) { + PyObject *arg[2] = {NULL, NULL}; + return __Pyx_PyObject_FastCall(func, arg + 1, 0 | __Pyx_PY_VECTORCALL_ARGUMENTS_OFFSET); +} + +/* PyObjectGetMethod */ +static int __Pyx_PyObject_GetMethod(PyObject *obj, PyObject *name, PyObject **method) { + PyObject *attr; +#if CYTHON_UNPACK_METHODS && CYTHON_COMPILING_IN_CPYTHON && CYTHON_USE_PYTYPE_LOOKUP + __Pyx_TypeName type_name; + PyTypeObject *tp = Py_TYPE(obj); + PyObject *descr; + descrgetfunc f = NULL; + PyObject **dictptr, *dict; + int meth_found = 0; + assert (*method == NULL); + if (unlikely(tp->tp_getattro != PyObject_GenericGetAttr)) { + attr = __Pyx_PyObject_GetAttrStr(obj, name); + goto try_unpack; + } + if (unlikely(tp->tp_dict == NULL) && unlikely(PyType_Ready(tp) < 0)) { + return 0; + } + descr = _PyType_Lookup(tp, name); + if (likely(descr != NULL)) { + Py_INCREF(descr); +#if defined(Py_TPFLAGS_METHOD_DESCRIPTOR) && Py_TPFLAGS_METHOD_DESCRIPTOR + if (__Pyx_PyType_HasFeature(Py_TYPE(descr), Py_TPFLAGS_METHOD_DESCRIPTOR)) +#elif PY_MAJOR_VERSION >= 3 + #ifdef __Pyx_CyFunction_USED + if (likely(PyFunction_Check(descr) || __Pyx_IS_TYPE(descr, &PyMethodDescr_Type) || __Pyx_CyFunction_Check(descr))) + #else + if (likely(PyFunction_Check(descr) || __Pyx_IS_TYPE(descr, &PyMethodDescr_Type))) + #endif +#else + #ifdef __Pyx_CyFunction_USED + if (likely(PyFunction_Check(descr) || __Pyx_CyFunction_Check(descr))) + #else + if (likely(PyFunction_Check(descr))) + #endif +#endif + { + meth_found = 1; + } else { + f = Py_TYPE(descr)->tp_descr_get; + if (f != NULL && PyDescr_IsData(descr)) { + attr = f(descr, obj, (PyObject *)Py_TYPE(obj)); + Py_DECREF(descr); + goto try_unpack; + } + } + } + dictptr = _PyObject_GetDictPtr(obj); + if (dictptr != NULL && (dict = *dictptr) != NULL) { + Py_INCREF(dict); + attr = __Pyx_PyDict_GetItemStr(dict, name); + if (attr != NULL) { + Py_INCREF(attr); + Py_DECREF(dict); + Py_XDECREF(descr); + goto try_unpack; + } + Py_DECREF(dict); + } + if (meth_found) { + *method = descr; + return 1; + } + if (f != NULL) { + attr = f(descr, obj, (PyObject *)Py_TYPE(obj)); + Py_DECREF(descr); + goto try_unpack; + } + if (likely(descr != NULL)) { + *method = descr; + return 0; + } + type_name = __Pyx_PyType_GetName(tp); + PyErr_Format(PyExc_AttributeError, +#if PY_MAJOR_VERSION >= 3 + "'" __Pyx_FMT_TYPENAME "' object has no attribute '%U'", + type_name, name); +#else + "'" __Pyx_FMT_TYPENAME "' object has no attribute '%.400s'", + type_name, PyString_AS_STRING(name)); +#endif + __Pyx_DECREF_TypeName(type_name); + return 0; +#else + attr = __Pyx_PyObject_GetAttrStr(obj, name); + goto try_unpack; +#endif +try_unpack: +#if CYTHON_UNPACK_METHODS + if (likely(attr) && PyMethod_Check(attr) && likely(PyMethod_GET_SELF(attr) == obj)) { + PyObject *function = PyMethod_GET_FUNCTION(attr); + Py_INCREF(function); + Py_DECREF(attr); + *method = function; + return 1; + } +#endif + *method = attr; + return 0; +} + +/* PyObjectCallMethod0 */ +static PyObject* __Pyx_PyObject_CallMethod0(PyObject* obj, PyObject* method_name) { + PyObject *method = NULL, *result = NULL; + int is_method = __Pyx_PyObject_GetMethod(obj, method_name, &method); + if (likely(is_method)) { + result = __Pyx_PyObject_CallOneArg(method, obj); + Py_DECREF(method); + return result; + } + if (unlikely(!method)) goto bad; + result = __Pyx_PyObject_CallNoArg(method); + Py_DECREF(method); +bad: + return result; +} + +/* ValidateBasesTuple */ +#if CYTHON_COMPILING_IN_CPYTHON || CYTHON_COMPILING_IN_LIMITED_API || CYTHON_USE_TYPE_SPECS +static int __Pyx_validate_bases_tuple(const char *type_name, Py_ssize_t dictoffset, PyObject *bases) { + Py_ssize_t i, n; +#if CYTHON_ASSUME_SAFE_MACROS + n = PyTuple_GET_SIZE(bases); +#else + n = PyTuple_Size(bases); + if (n < 0) return -1; +#endif + for (i = 1; i < n; i++) + { +#if CYTHON_AVOID_BORROWED_REFS + PyObject *b0 = PySequence_GetItem(bases, i); + if (!b0) return -1; +#elif CYTHON_ASSUME_SAFE_MACROS + PyObject *b0 = PyTuple_GET_ITEM(bases, i); +#else + PyObject *b0 = PyTuple_GetItem(bases, i); + if (!b0) return -1; +#endif + PyTypeObject *b; +#if PY_MAJOR_VERSION < 3 + if (PyClass_Check(b0)) + { + PyErr_Format(PyExc_TypeError, "base class '%.200s' is an old-style class", + PyString_AS_STRING(((PyClassObject*)b0)->cl_name)); +#if CYTHON_AVOID_BORROWED_REFS + Py_DECREF(b0); +#endif + return -1; + } +#endif + b = (PyTypeObject*) b0; + if (!__Pyx_PyType_HasFeature(b, Py_TPFLAGS_HEAPTYPE)) + { + __Pyx_TypeName b_name = __Pyx_PyType_GetName(b); + PyErr_Format(PyExc_TypeError, + "base class '" __Pyx_FMT_TYPENAME "' is not a heap type", b_name); + __Pyx_DECREF_TypeName(b_name); +#if CYTHON_AVOID_BORROWED_REFS + Py_DECREF(b0); +#endif + return -1; + } + if (dictoffset == 0) + { + Py_ssize_t b_dictoffset = 0; +#if CYTHON_USE_TYPE_SLOTS || CYTHON_COMPILING_IN_PYPY + b_dictoffset = b->tp_dictoffset; +#else + PyObject *py_b_dictoffset = PyObject_GetAttrString((PyObject*)b, "__dictoffset__"); + if (!py_b_dictoffset) goto dictoffset_return; + b_dictoffset = PyLong_AsSsize_t(py_b_dictoffset); + Py_DECREF(py_b_dictoffset); + if (b_dictoffset == -1 && PyErr_Occurred()) goto dictoffset_return; +#endif + if (b_dictoffset) { + { + __Pyx_TypeName b_name = __Pyx_PyType_GetName(b); + PyErr_Format(PyExc_TypeError, + "extension type '%.200s' has no __dict__ slot, " + "but base type '" __Pyx_FMT_TYPENAME "' has: " + "either add 'cdef dict __dict__' to the extension type " + "or add '__slots__ = [...]' to the base type", + type_name, b_name); + __Pyx_DECREF_TypeName(b_name); + } +#if !(CYTHON_USE_TYPE_SLOTS || CYTHON_COMPILING_IN_PYPY) + dictoffset_return: +#endif +#if CYTHON_AVOID_BORROWED_REFS + Py_DECREF(b0); +#endif + return -1; + } + } +#if CYTHON_AVOID_BORROWED_REFS + Py_DECREF(b0); +#endif + } + return 0; +} +#endif + +/* PyType_Ready */ +static int __Pyx_PyType_Ready(PyTypeObject *t) { +#if CYTHON_USE_TYPE_SPECS || !(CYTHON_COMPILING_IN_CPYTHON || CYTHON_COMPILING_IN_LIMITED_API) || defined(PYSTON_MAJOR_VERSION) + (void)__Pyx_PyObject_CallMethod0; +#if CYTHON_USE_TYPE_SPECS + (void)__Pyx_validate_bases_tuple; +#endif + return PyType_Ready(t); +#else + int r; + PyObject *bases = __Pyx_PyType_GetSlot(t, tp_bases, PyObject*); + if (bases && unlikely(__Pyx_validate_bases_tuple(t->tp_name, t->tp_dictoffset, bases) == -1)) + return -1; +#if PY_VERSION_HEX >= 0x03050000 && !defined(PYSTON_MAJOR_VERSION) + { + int gc_was_enabled; + #if PY_VERSION_HEX >= 0x030A00b1 + gc_was_enabled = PyGC_Disable(); + (void)__Pyx_PyObject_CallMethod0; + #else + PyObject *ret, *py_status; + PyObject *gc = NULL; + #if PY_VERSION_HEX >= 0x030700a1 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM+0 >= 0x07030400) + gc = PyImport_GetModule(__pyx_kp_u_gc); + #endif + if (unlikely(!gc)) gc = PyImport_Import(__pyx_kp_u_gc); + if (unlikely(!gc)) return -1; + py_status = __Pyx_PyObject_CallMethod0(gc, __pyx_kp_u_isenabled); + if (unlikely(!py_status)) { + Py_DECREF(gc); + return -1; + } + gc_was_enabled = __Pyx_PyObject_IsTrue(py_status); + Py_DECREF(py_status); + if (gc_was_enabled > 0) { + ret = __Pyx_PyObject_CallMethod0(gc, __pyx_kp_u_disable); + if (unlikely(!ret)) { + Py_DECREF(gc); + return -1; + } + Py_DECREF(ret); + } else if (unlikely(gc_was_enabled == -1)) { + Py_DECREF(gc); + return -1; + } + #endif + t->tp_flags |= Py_TPFLAGS_HEAPTYPE; +#if PY_VERSION_HEX >= 0x030A0000 + t->tp_flags |= Py_TPFLAGS_IMMUTABLETYPE; +#endif +#else + (void)__Pyx_PyObject_CallMethod0; +#endif + r = PyType_Ready(t); +#if PY_VERSION_HEX >= 0x03050000 && !defined(PYSTON_MAJOR_VERSION) + t->tp_flags &= ~Py_TPFLAGS_HEAPTYPE; + #if PY_VERSION_HEX >= 0x030A00b1 + if (gc_was_enabled) + PyGC_Enable(); + #else + if (gc_was_enabled) { + PyObject *tp, *v, *tb; + PyErr_Fetch(&tp, &v, &tb); + ret = __Pyx_PyObject_CallMethod0(gc, __pyx_kp_u_enable); + if (likely(ret || r == -1)) { + Py_XDECREF(ret); + PyErr_Restore(tp, v, tb); + } else { + Py_XDECREF(tp); + Py_XDECREF(v); + Py_XDECREF(tb); + r = -1; + } + } + Py_DECREF(gc); + #endif + } +#endif + return r; +#endif +} + +/* SetVTable */ +static int __Pyx_SetVtable(PyTypeObject *type, void *vtable) { + PyObject *ob = PyCapsule_New(vtable, 0, 0); + if (unlikely(!ob)) + goto bad; +#if CYTHON_COMPILING_IN_LIMITED_API + if (unlikely(PyObject_SetAttr((PyObject *) type, __pyx_n_s_pyx_vtable, ob) < 0)) +#else + if (unlikely(PyDict_SetItem(type->tp_dict, __pyx_n_s_pyx_vtable, ob) < 0)) +#endif + goto bad; + Py_DECREF(ob); + return 0; +bad: + Py_XDECREF(ob); + return -1; +} + +/* GetVTable */ +static void* __Pyx_GetVtable(PyTypeObject *type) { + void* ptr; +#if CYTHON_COMPILING_IN_LIMITED_API + PyObject *ob = PyObject_GetAttr((PyObject *)type, __pyx_n_s_pyx_vtable); +#else + PyObject *ob = PyObject_GetItem(type->tp_dict, __pyx_n_s_pyx_vtable); +#endif + if (!ob) + goto bad; + ptr = PyCapsule_GetPointer(ob, 0); + if (!ptr && !PyErr_Occurred()) + PyErr_SetString(PyExc_RuntimeError, "invalid vtable found for imported type"); + Py_DECREF(ob); + return ptr; +bad: + Py_XDECREF(ob); + return NULL; +} + +/* MergeVTables */ +#if !CYTHON_COMPILING_IN_LIMITED_API +static int __Pyx_MergeVtables(PyTypeObject *type) { + int i; + void** base_vtables; + __Pyx_TypeName tp_base_name; + __Pyx_TypeName base_name; + void* unknown = (void*)-1; + PyObject* bases = type->tp_bases; + int base_depth = 0; + { + PyTypeObject* base = type->tp_base; + while (base) { + base_depth += 1; + base = base->tp_base; + } + } + base_vtables = (void**) malloc(sizeof(void*) * (size_t)(base_depth + 1)); + base_vtables[0] = unknown; + for (i = 1; i < PyTuple_GET_SIZE(bases); i++) { + void* base_vtable = __Pyx_GetVtable(((PyTypeObject*)PyTuple_GET_ITEM(bases, i))); + if (base_vtable != NULL) { + int j; + PyTypeObject* base = type->tp_base; + for (j = 0; j < base_depth; j++) { + if (base_vtables[j] == unknown) { + base_vtables[j] = __Pyx_GetVtable(base); + base_vtables[j + 1] = unknown; + } + if (base_vtables[j] == base_vtable) { + break; + } else if (base_vtables[j] == NULL) { + goto bad; + } + base = base->tp_base; + } + } + } + PyErr_Clear(); + free(base_vtables); + return 0; +bad: + tp_base_name = __Pyx_PyType_GetName(type->tp_base); + base_name = __Pyx_PyType_GetName((PyTypeObject*)PyTuple_GET_ITEM(bases, i)); + PyErr_Format(PyExc_TypeError, + "multiple bases have vtable conflict: '" __Pyx_FMT_TYPENAME "' and '" __Pyx_FMT_TYPENAME "'", tp_base_name, base_name); + __Pyx_DECREF_TypeName(tp_base_name); + __Pyx_DECREF_TypeName(base_name); + free(base_vtables); + return -1; +} +#endif + +/* SetupReduce */ +#if !CYTHON_COMPILING_IN_LIMITED_API +static int __Pyx_setup_reduce_is_named(PyObject* meth, PyObject* name) { + int ret; + PyObject *name_attr; + name_attr = __Pyx_PyObject_GetAttrStrNoError(meth, __pyx_n_s_name_2); + if (likely(name_attr)) { + ret = PyObject_RichCompareBool(name_attr, name, Py_EQ); + } else { + ret = -1; + } + if (unlikely(ret < 0)) { + PyErr_Clear(); + ret = 0; + } + Py_XDECREF(name_attr); + return ret; +} +static int __Pyx_setup_reduce(PyObject* type_obj) { + int ret = 0; + PyObject *object_reduce = NULL; + PyObject *object_getstate = NULL; + PyObject *object_reduce_ex = NULL; + PyObject *reduce = NULL; + PyObject *reduce_ex = NULL; + PyObject *reduce_cython = NULL; + PyObject *setstate = NULL; + PyObject *setstate_cython = NULL; + PyObject *getstate = NULL; +#if CYTHON_USE_PYTYPE_LOOKUP + getstate = _PyType_Lookup((PyTypeObject*)type_obj, __pyx_n_s_getstate); +#else + getstate = __Pyx_PyObject_GetAttrStrNoError(type_obj, __pyx_n_s_getstate); + if (!getstate && PyErr_Occurred()) { + goto __PYX_BAD; + } +#endif + if (getstate) { +#if CYTHON_USE_PYTYPE_LOOKUP + object_getstate = _PyType_Lookup(&PyBaseObject_Type, __pyx_n_s_getstate); +#else + object_getstate = __Pyx_PyObject_GetAttrStrNoError((PyObject*)&PyBaseObject_Type, __pyx_n_s_getstate); + if (!object_getstate && PyErr_Occurred()) { + goto __PYX_BAD; + } +#endif + if (object_getstate != getstate) { + goto __PYX_GOOD; + } + } +#if CYTHON_USE_PYTYPE_LOOKUP + object_reduce_ex = _PyType_Lookup(&PyBaseObject_Type, __pyx_n_s_reduce_ex); if (!object_reduce_ex) goto __PYX_BAD; +#else + object_reduce_ex = __Pyx_PyObject_GetAttrStr((PyObject*)&PyBaseObject_Type, __pyx_n_s_reduce_ex); if (!object_reduce_ex) goto __PYX_BAD; +#endif + reduce_ex = __Pyx_PyObject_GetAttrStr(type_obj, __pyx_n_s_reduce_ex); if (unlikely(!reduce_ex)) goto __PYX_BAD; + if (reduce_ex == object_reduce_ex) { +#if CYTHON_USE_PYTYPE_LOOKUP + object_reduce = _PyType_Lookup(&PyBaseObject_Type, __pyx_n_s_reduce); if (!object_reduce) goto __PYX_BAD; +#else + object_reduce = __Pyx_PyObject_GetAttrStr((PyObject*)&PyBaseObject_Type, __pyx_n_s_reduce); if (!object_reduce) goto __PYX_BAD; +#endif + reduce = __Pyx_PyObject_GetAttrStr(type_obj, __pyx_n_s_reduce); if (unlikely(!reduce)) goto __PYX_BAD; + if (reduce == object_reduce || __Pyx_setup_reduce_is_named(reduce, __pyx_n_s_reduce_cython)) { + reduce_cython = __Pyx_PyObject_GetAttrStrNoError(type_obj, __pyx_n_s_reduce_cython); + if (likely(reduce_cython)) { + ret = PyDict_SetItem(((PyTypeObject*)type_obj)->tp_dict, __pyx_n_s_reduce, reduce_cython); if (unlikely(ret < 0)) goto __PYX_BAD; + ret = PyDict_DelItem(((PyTypeObject*)type_obj)->tp_dict, __pyx_n_s_reduce_cython); if (unlikely(ret < 0)) goto __PYX_BAD; + } else if (reduce == object_reduce || PyErr_Occurred()) { + goto __PYX_BAD; + } + setstate = __Pyx_PyObject_GetAttrStrNoError(type_obj, __pyx_n_s_setstate); + if (!setstate) PyErr_Clear(); + if (!setstate || __Pyx_setup_reduce_is_named(setstate, __pyx_n_s_setstate_cython)) { + setstate_cython = __Pyx_PyObject_GetAttrStrNoError(type_obj, __pyx_n_s_setstate_cython); + if (likely(setstate_cython)) { + ret = PyDict_SetItem(((PyTypeObject*)type_obj)->tp_dict, __pyx_n_s_setstate, setstate_cython); if (unlikely(ret < 0)) goto __PYX_BAD; + ret = PyDict_DelItem(((PyTypeObject*)type_obj)->tp_dict, __pyx_n_s_setstate_cython); if (unlikely(ret < 0)) goto __PYX_BAD; + } else if (!setstate || PyErr_Occurred()) { + goto __PYX_BAD; + } + } + PyType_Modified((PyTypeObject*)type_obj); + } + } + goto __PYX_GOOD; +__PYX_BAD: + if (!PyErr_Occurred()) { + __Pyx_TypeName type_obj_name = + __Pyx_PyType_GetName((PyTypeObject*)type_obj); + PyErr_Format(PyExc_RuntimeError, + "Unable to initialize pickling for " __Pyx_FMT_TYPENAME, type_obj_name); + __Pyx_DECREF_TypeName(type_obj_name); + } + ret = -1; +__PYX_GOOD: +#if !CYTHON_USE_PYTYPE_LOOKUP + Py_XDECREF(object_reduce); + Py_XDECREF(object_reduce_ex); + Py_XDECREF(object_getstate); + Py_XDECREF(getstate); +#endif + Py_XDECREF(reduce); + Py_XDECREF(reduce_ex); + Py_XDECREF(reduce_cython); + Py_XDECREF(setstate); + Py_XDECREF(setstate_cython); + return ret; +} +#endif + +/* TypeImport */ +#ifndef __PYX_HAVE_RT_ImportType_3_0_11 +#define __PYX_HAVE_RT_ImportType_3_0_11 +static PyTypeObject *__Pyx_ImportType_3_0_11(PyObject *module, const char *module_name, const char *class_name, + size_t size, size_t alignment, enum __Pyx_ImportType_CheckSize_3_0_11 check_size) +{ + PyObject *result = 0; + char warning[200]; + Py_ssize_t basicsize; + Py_ssize_t itemsize; +#if CYTHON_COMPILING_IN_LIMITED_API + PyObject *py_basicsize; + PyObject *py_itemsize; +#endif + result = PyObject_GetAttrString(module, class_name); + if (!result) + goto bad; + if (!PyType_Check(result)) { + PyErr_Format(PyExc_TypeError, + "%.200s.%.200s is not a type object", + module_name, class_name); + goto bad; + } +#if !CYTHON_COMPILING_IN_LIMITED_API + basicsize = ((PyTypeObject *)result)->tp_basicsize; + itemsize = ((PyTypeObject *)result)->tp_itemsize; +#else + py_basicsize = PyObject_GetAttrString(result, "__basicsize__"); + if (!py_basicsize) + goto bad; + basicsize = PyLong_AsSsize_t(py_basicsize); + Py_DECREF(py_basicsize); + py_basicsize = 0; + if (basicsize == (Py_ssize_t)-1 && PyErr_Occurred()) + goto bad; + py_itemsize = PyObject_GetAttrString(result, "__itemsize__"); + if (!py_itemsize) + goto bad; + itemsize = PyLong_AsSsize_t(py_itemsize); + Py_DECREF(py_itemsize); + py_itemsize = 0; + if (itemsize == (Py_ssize_t)-1 && PyErr_Occurred()) + goto bad; +#endif + if (itemsize) { + if (size % alignment) { + alignment = size % alignment; + } + if (itemsize < (Py_ssize_t)alignment) + itemsize = (Py_ssize_t)alignment; + } + if ((size_t)(basicsize + itemsize) < size) { + PyErr_Format(PyExc_ValueError, + "%.200s.%.200s size changed, may indicate binary incompatibility. " + "Expected %zd from C header, got %zd from PyObject", + module_name, class_name, size, basicsize+itemsize); + goto bad; + } + if (check_size == __Pyx_ImportType_CheckSize_Error_3_0_11 && + ((size_t)basicsize > size || (size_t)(basicsize + itemsize) < size)) { + PyErr_Format(PyExc_ValueError, + "%.200s.%.200s size changed, may indicate binary incompatibility. " + "Expected %zd from C header, got %zd-%zd from PyObject", + module_name, class_name, size, basicsize, basicsize+itemsize); + goto bad; + } + else if (check_size == __Pyx_ImportType_CheckSize_Warn_3_0_11 && (size_t)basicsize > size) { + PyOS_snprintf(warning, sizeof(warning), + "%s.%s size changed, may indicate binary incompatibility. " + "Expected %zd from C header, got %zd from PyObject", + module_name, class_name, size, basicsize); + if (PyErr_WarnEx(NULL, warning, 0) < 0) goto bad; + } + return (PyTypeObject *)result; +bad: + Py_XDECREF(result); + return NULL; +} +#endif + +/* FetchSharedCythonModule */ +static PyObject *__Pyx_FetchSharedCythonABIModule(void) { + return __Pyx_PyImport_AddModuleRef((char*) __PYX_ABI_MODULE_NAME); +} + +/* FetchCommonType */ +static int __Pyx_VerifyCachedType(PyObject *cached_type, + const char *name, + Py_ssize_t basicsize, + Py_ssize_t expected_basicsize) { + if (!PyType_Check(cached_type)) { + PyErr_Format(PyExc_TypeError, + "Shared Cython type %.200s is not a type object", name); + return -1; + } + if (basicsize != expected_basicsize) { + PyErr_Format(PyExc_TypeError, + "Shared Cython type %.200s has the wrong size, try recompiling", + name); + return -1; + } + return 0; +} +#if !CYTHON_USE_TYPE_SPECS +static PyTypeObject* __Pyx_FetchCommonType(PyTypeObject* type) { + PyObject* abi_module; + const char* object_name; + PyTypeObject *cached_type = NULL; + abi_module = __Pyx_FetchSharedCythonABIModule(); + if (!abi_module) return NULL; + object_name = strrchr(type->tp_name, '.'); + object_name = object_name ? object_name+1 : type->tp_name; + cached_type = (PyTypeObject*) PyObject_GetAttrString(abi_module, object_name); + if (cached_type) { + if (__Pyx_VerifyCachedType( + (PyObject *)cached_type, + object_name, + cached_type->tp_basicsize, + type->tp_basicsize) < 0) { + goto bad; + } + goto done; + } + if (!PyErr_ExceptionMatches(PyExc_AttributeError)) goto bad; + PyErr_Clear(); + if (PyType_Ready(type) < 0) goto bad; + if (PyObject_SetAttrString(abi_module, object_name, (PyObject *)type) < 0) + goto bad; + Py_INCREF(type); + cached_type = type; +done: + Py_DECREF(abi_module); + return cached_type; +bad: + Py_XDECREF(cached_type); + cached_type = NULL; + goto done; +} +#else +static PyTypeObject *__Pyx_FetchCommonTypeFromSpec(PyObject *module, PyType_Spec *spec, PyObject *bases) { + PyObject *abi_module, *cached_type = NULL; + const char* object_name = strrchr(spec->name, '.'); + object_name = object_name ? object_name+1 : spec->name; + abi_module = __Pyx_FetchSharedCythonABIModule(); + if (!abi_module) return NULL; + cached_type = PyObject_GetAttrString(abi_module, object_name); + if (cached_type) { + Py_ssize_t basicsize; +#if CYTHON_COMPILING_IN_LIMITED_API + PyObject *py_basicsize; + py_basicsize = PyObject_GetAttrString(cached_type, "__basicsize__"); + if (unlikely(!py_basicsize)) goto bad; + basicsize = PyLong_AsSsize_t(py_basicsize); + Py_DECREF(py_basicsize); + py_basicsize = 0; + if (unlikely(basicsize == (Py_ssize_t)-1) && PyErr_Occurred()) goto bad; +#else + basicsize = likely(PyType_Check(cached_type)) ? ((PyTypeObject*) cached_type)->tp_basicsize : -1; +#endif + if (__Pyx_VerifyCachedType( + cached_type, + object_name, + basicsize, + spec->basicsize) < 0) { + goto bad; + } + goto done; + } + if (!PyErr_ExceptionMatches(PyExc_AttributeError)) goto bad; + PyErr_Clear(); + CYTHON_UNUSED_VAR(module); + cached_type = __Pyx_PyType_FromModuleAndSpec(abi_module, spec, bases); + if (unlikely(!cached_type)) goto bad; + if (unlikely(__Pyx_fix_up_extension_type_from_spec(spec, (PyTypeObject *) cached_type) < 0)) goto bad; + if (PyObject_SetAttrString(abi_module, object_name, cached_type) < 0) goto bad; +done: + Py_DECREF(abi_module); + assert(cached_type == NULL || PyType_Check(cached_type)); + return (PyTypeObject *) cached_type; +bad: + Py_XDECREF(cached_type); + cached_type = NULL; + goto done; +} +#endif + +/* PyVectorcallFastCallDict */ +#if CYTHON_METH_FASTCALL +static PyObject *__Pyx_PyVectorcall_FastCallDict_kw(PyObject *func, __pyx_vectorcallfunc vc, PyObject *const *args, size_t nargs, PyObject *kw) +{ + PyObject *res = NULL; + PyObject *kwnames; + PyObject **newargs; + PyObject **kwvalues; + Py_ssize_t i, pos; + size_t j; + PyObject *key, *value; + unsigned long keys_are_strings; + Py_ssize_t nkw = PyDict_GET_SIZE(kw); + newargs = (PyObject **)PyMem_Malloc((nargs + (size_t)nkw) * sizeof(args[0])); + if (unlikely(newargs == NULL)) { + PyErr_NoMemory(); + return NULL; + } + for (j = 0; j < nargs; j++) newargs[j] = args[j]; + kwnames = PyTuple_New(nkw); + if (unlikely(kwnames == NULL)) { + PyMem_Free(newargs); + return NULL; + } + kwvalues = newargs + nargs; + pos = i = 0; + keys_are_strings = Py_TPFLAGS_UNICODE_SUBCLASS; + while (PyDict_Next(kw, &pos, &key, &value)) { + keys_are_strings &= Py_TYPE(key)->tp_flags; + Py_INCREF(key); + Py_INCREF(value); + PyTuple_SET_ITEM(kwnames, i, key); + kwvalues[i] = value; + i++; + } + if (unlikely(!keys_are_strings)) { + PyErr_SetString(PyExc_TypeError, "keywords must be strings"); + goto cleanup; + } + res = vc(func, newargs, nargs, kwnames); +cleanup: + Py_DECREF(kwnames); + for (i = 0; i < nkw; i++) + Py_DECREF(kwvalues[i]); + PyMem_Free(newargs); + return res; +} +static CYTHON_INLINE PyObject *__Pyx_PyVectorcall_FastCallDict(PyObject *func, __pyx_vectorcallfunc vc, PyObject *const *args, size_t nargs, PyObject *kw) +{ + if (likely(kw == NULL) || PyDict_GET_SIZE(kw) == 0) { + return vc(func, args, nargs, NULL); + } + return __Pyx_PyVectorcall_FastCallDict_kw(func, vc, args, nargs, kw); +} +#endif + +/* CythonFunctionShared */ +#if CYTHON_COMPILING_IN_LIMITED_API +static CYTHON_INLINE int __Pyx__IsSameCyOrCFunction(PyObject *func, void *cfunc) { + if (__Pyx_CyFunction_Check(func)) { + return PyCFunction_GetFunction(((__pyx_CyFunctionObject*)func)->func) == (PyCFunction) cfunc; + } else if (PyCFunction_Check(func)) { + return PyCFunction_GetFunction(func) == (PyCFunction) cfunc; + } + return 0; +} +#else +static CYTHON_INLINE int __Pyx__IsSameCyOrCFunction(PyObject *func, void *cfunc) { + return __Pyx_CyOrPyCFunction_Check(func) && __Pyx_CyOrPyCFunction_GET_FUNCTION(func) == (PyCFunction) cfunc; +} +#endif +static CYTHON_INLINE void __Pyx__CyFunction_SetClassObj(__pyx_CyFunctionObject* f, PyObject* classobj) { +#if PY_VERSION_HEX < 0x030900B1 || CYTHON_COMPILING_IN_LIMITED_API + __Pyx_Py_XDECREF_SET( + __Pyx_CyFunction_GetClassObj(f), + ((classobj) ? __Pyx_NewRef(classobj) : NULL)); +#else + __Pyx_Py_XDECREF_SET( + ((PyCMethodObject *) (f))->mm_class, + (PyTypeObject*)((classobj) ? __Pyx_NewRef(classobj) : NULL)); +#endif +} +static PyObject * +__Pyx_CyFunction_get_doc(__pyx_CyFunctionObject *op, void *closure) +{ + CYTHON_UNUSED_VAR(closure); + if (unlikely(op->func_doc == NULL)) { +#if CYTHON_COMPILING_IN_LIMITED_API + op->func_doc = PyObject_GetAttrString(op->func, "__doc__"); + if (unlikely(!op->func_doc)) return NULL; +#else + if (((PyCFunctionObject*)op)->m_ml->ml_doc) { +#if PY_MAJOR_VERSION >= 3 + op->func_doc = PyUnicode_FromString(((PyCFunctionObject*)op)->m_ml->ml_doc); +#else + op->func_doc = PyString_FromString(((PyCFunctionObject*)op)->m_ml->ml_doc); +#endif + if (unlikely(op->func_doc == NULL)) + return NULL; + } else { + Py_INCREF(Py_None); + return Py_None; + } +#endif + } + Py_INCREF(op->func_doc); + return op->func_doc; +} +static int +__Pyx_CyFunction_set_doc(__pyx_CyFunctionObject *op, PyObject *value, void *context) +{ + CYTHON_UNUSED_VAR(context); + if (value == NULL) { + value = Py_None; + } + Py_INCREF(value); + __Pyx_Py_XDECREF_SET(op->func_doc, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_name(__pyx_CyFunctionObject *op, void *context) +{ + CYTHON_UNUSED_VAR(context); + if (unlikely(op->func_name == NULL)) { +#if CYTHON_COMPILING_IN_LIMITED_API + op->func_name = PyObject_GetAttrString(op->func, "__name__"); +#elif PY_MAJOR_VERSION >= 3 + op->func_name = PyUnicode_InternFromString(((PyCFunctionObject*)op)->m_ml->ml_name); +#else + op->func_name = PyString_InternFromString(((PyCFunctionObject*)op)->m_ml->ml_name); +#endif + if (unlikely(op->func_name == NULL)) + return NULL; + } + Py_INCREF(op->func_name); + return op->func_name; +} +static int +__Pyx_CyFunction_set_name(__pyx_CyFunctionObject *op, PyObject *value, void *context) +{ + CYTHON_UNUSED_VAR(context); +#if PY_MAJOR_VERSION >= 3 + if (unlikely(value == NULL || !PyUnicode_Check(value))) +#else + if (unlikely(value == NULL || !PyString_Check(value))) +#endif + { + PyErr_SetString(PyExc_TypeError, + "__name__ must be set to a string object"); + return -1; + } + Py_INCREF(value); + __Pyx_Py_XDECREF_SET(op->func_name, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_qualname(__pyx_CyFunctionObject *op, void *context) +{ + CYTHON_UNUSED_VAR(context); + Py_INCREF(op->func_qualname); + return op->func_qualname; +} +static int +__Pyx_CyFunction_set_qualname(__pyx_CyFunctionObject *op, PyObject *value, void *context) +{ + CYTHON_UNUSED_VAR(context); +#if PY_MAJOR_VERSION >= 3 + if (unlikely(value == NULL || !PyUnicode_Check(value))) +#else + if (unlikely(value == NULL || !PyString_Check(value))) +#endif + { + PyErr_SetString(PyExc_TypeError, + "__qualname__ must be set to a string object"); + return -1; + } + Py_INCREF(value); + __Pyx_Py_XDECREF_SET(op->func_qualname, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_dict(__pyx_CyFunctionObject *op, void *context) +{ + CYTHON_UNUSED_VAR(context); + if (unlikely(op->func_dict == NULL)) { + op->func_dict = PyDict_New(); + if (unlikely(op->func_dict == NULL)) + return NULL; + } + Py_INCREF(op->func_dict); + return op->func_dict; +} +static int +__Pyx_CyFunction_set_dict(__pyx_CyFunctionObject *op, PyObject *value, void *context) +{ + CYTHON_UNUSED_VAR(context); + if (unlikely(value == NULL)) { + PyErr_SetString(PyExc_TypeError, + "function's dictionary may not be deleted"); + return -1; + } + if (unlikely(!PyDict_Check(value))) { + PyErr_SetString(PyExc_TypeError, + "setting function's dictionary to a non-dict"); + return -1; + } + Py_INCREF(value); + __Pyx_Py_XDECREF_SET(op->func_dict, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_globals(__pyx_CyFunctionObject *op, void *context) +{ + CYTHON_UNUSED_VAR(context); + Py_INCREF(op->func_globals); + return op->func_globals; +} +static PyObject * +__Pyx_CyFunction_get_closure(__pyx_CyFunctionObject *op, void *context) +{ + CYTHON_UNUSED_VAR(op); + CYTHON_UNUSED_VAR(context); + Py_INCREF(Py_None); + return Py_None; +} +static PyObject * +__Pyx_CyFunction_get_code(__pyx_CyFunctionObject *op, void *context) +{ + PyObject* result = (op->func_code) ? op->func_code : Py_None; + CYTHON_UNUSED_VAR(context); + Py_INCREF(result); + return result; +} +static int +__Pyx_CyFunction_init_defaults(__pyx_CyFunctionObject *op) { + int result = 0; + PyObject *res = op->defaults_getter((PyObject *) op); + if (unlikely(!res)) + return -1; + #if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS + op->defaults_tuple = PyTuple_GET_ITEM(res, 0); + Py_INCREF(op->defaults_tuple); + op->defaults_kwdict = PyTuple_GET_ITEM(res, 1); + Py_INCREF(op->defaults_kwdict); + #else + op->defaults_tuple = __Pyx_PySequence_ITEM(res, 0); + if (unlikely(!op->defaults_tuple)) result = -1; + else { + op->defaults_kwdict = __Pyx_PySequence_ITEM(res, 1); + if (unlikely(!op->defaults_kwdict)) result = -1; + } + #endif + Py_DECREF(res); + return result; +} +static int +__Pyx_CyFunction_set_defaults(__pyx_CyFunctionObject *op, PyObject* value, void *context) { + CYTHON_UNUSED_VAR(context); + if (!value) { + value = Py_None; + } else if (unlikely(value != Py_None && !PyTuple_Check(value))) { + PyErr_SetString(PyExc_TypeError, + "__defaults__ must be set to a tuple object"); + return -1; + } + PyErr_WarnEx(PyExc_RuntimeWarning, "changes to cyfunction.__defaults__ will not " + "currently affect the values used in function calls", 1); + Py_INCREF(value); + __Pyx_Py_XDECREF_SET(op->defaults_tuple, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_defaults(__pyx_CyFunctionObject *op, void *context) { + PyObject* result = op->defaults_tuple; + CYTHON_UNUSED_VAR(context); + if (unlikely(!result)) { + if (op->defaults_getter) { + if (unlikely(__Pyx_CyFunction_init_defaults(op) < 0)) return NULL; + result = op->defaults_tuple; + } else { + result = Py_None; + } + } + Py_INCREF(result); + return result; +} +static int +__Pyx_CyFunction_set_kwdefaults(__pyx_CyFunctionObject *op, PyObject* value, void *context) { + CYTHON_UNUSED_VAR(context); + if (!value) { + value = Py_None; + } else if (unlikely(value != Py_None && !PyDict_Check(value))) { + PyErr_SetString(PyExc_TypeError, + "__kwdefaults__ must be set to a dict object"); + return -1; + } + PyErr_WarnEx(PyExc_RuntimeWarning, "changes to cyfunction.__kwdefaults__ will not " + "currently affect the values used in function calls", 1); + Py_INCREF(value); + __Pyx_Py_XDECREF_SET(op->defaults_kwdict, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_kwdefaults(__pyx_CyFunctionObject *op, void *context) { + PyObject* result = op->defaults_kwdict; + CYTHON_UNUSED_VAR(context); + if (unlikely(!result)) { + if (op->defaults_getter) { + if (unlikely(__Pyx_CyFunction_init_defaults(op) < 0)) return NULL; + result = op->defaults_kwdict; + } else { + result = Py_None; + } + } + Py_INCREF(result); + return result; +} +static int +__Pyx_CyFunction_set_annotations(__pyx_CyFunctionObject *op, PyObject* value, void *context) { + CYTHON_UNUSED_VAR(context); + if (!value || value == Py_None) { + value = NULL; + } else if (unlikely(!PyDict_Check(value))) { + PyErr_SetString(PyExc_TypeError, + "__annotations__ must be set to a dict object"); + return -1; + } + Py_XINCREF(value); + __Pyx_Py_XDECREF_SET(op->func_annotations, value); + return 0; +} +static PyObject * +__Pyx_CyFunction_get_annotations(__pyx_CyFunctionObject *op, void *context) { + PyObject* result = op->func_annotations; + CYTHON_UNUSED_VAR(context); + if (unlikely(!result)) { + result = PyDict_New(); + if (unlikely(!result)) return NULL; + op->func_annotations = result; + } + Py_INCREF(result); + return result; +} +static PyObject * +__Pyx_CyFunction_get_is_coroutine(__pyx_CyFunctionObject *op, void *context) { + int is_coroutine; + CYTHON_UNUSED_VAR(context); + if (op->func_is_coroutine) { + return __Pyx_NewRef(op->func_is_coroutine); + } + is_coroutine = op->flags & __Pyx_CYFUNCTION_COROUTINE; +#if PY_VERSION_HEX >= 0x03050000 + if (is_coroutine) { + PyObject *module, *fromlist, *marker = __pyx_n_s_is_coroutine; + fromlist = PyList_New(1); + if (unlikely(!fromlist)) return NULL; + Py_INCREF(marker); +#if CYTHON_ASSUME_SAFE_MACROS + PyList_SET_ITEM(fromlist, 0, marker); +#else + if (unlikely(PyList_SetItem(fromlist, 0, marker) < 0)) { + Py_DECREF(marker); + Py_DECREF(fromlist); + return NULL; + } +#endif + module = PyImport_ImportModuleLevelObject(__pyx_n_s_asyncio_coroutines, NULL, NULL, fromlist, 0); + Py_DECREF(fromlist); + if (unlikely(!module)) goto ignore; + op->func_is_coroutine = __Pyx_PyObject_GetAttrStr(module, marker); + Py_DECREF(module); + if (likely(op->func_is_coroutine)) { + return __Pyx_NewRef(op->func_is_coroutine); + } +ignore: + PyErr_Clear(); + } +#endif + op->func_is_coroutine = __Pyx_PyBool_FromLong(is_coroutine); + return __Pyx_NewRef(op->func_is_coroutine); +} +#if CYTHON_COMPILING_IN_LIMITED_API +static PyObject * +__Pyx_CyFunction_get_module(__pyx_CyFunctionObject *op, void *context) { + CYTHON_UNUSED_VAR(context); + return PyObject_GetAttrString(op->func, "__module__"); +} +static int +__Pyx_CyFunction_set_module(__pyx_CyFunctionObject *op, PyObject* value, void *context) { + CYTHON_UNUSED_VAR(context); + return PyObject_SetAttrString(op->func, "__module__", value); +} +#endif +static PyGetSetDef __pyx_CyFunction_getsets[] = { + {(char *) "func_doc", (getter)__Pyx_CyFunction_get_doc, (setter)__Pyx_CyFunction_set_doc, 0, 0}, + {(char *) "__doc__", (getter)__Pyx_CyFunction_get_doc, (setter)__Pyx_CyFunction_set_doc, 0, 0}, + {(char *) "func_name", (getter)__Pyx_CyFunction_get_name, (setter)__Pyx_CyFunction_set_name, 0, 0}, + {(char *) "__name__", (getter)__Pyx_CyFunction_get_name, (setter)__Pyx_CyFunction_set_name, 0, 0}, + {(char *) "__qualname__", (getter)__Pyx_CyFunction_get_qualname, (setter)__Pyx_CyFunction_set_qualname, 0, 0}, + {(char *) "func_dict", (getter)__Pyx_CyFunction_get_dict, (setter)__Pyx_CyFunction_set_dict, 0, 0}, + {(char *) "__dict__", (getter)__Pyx_CyFunction_get_dict, (setter)__Pyx_CyFunction_set_dict, 0, 0}, + {(char *) "func_globals", (getter)__Pyx_CyFunction_get_globals, 0, 0, 0}, + {(char *) "__globals__", (getter)__Pyx_CyFunction_get_globals, 0, 0, 0}, + {(char *) "func_closure", (getter)__Pyx_CyFunction_get_closure, 0, 0, 0}, + {(char *) "__closure__", (getter)__Pyx_CyFunction_get_closure, 0, 0, 0}, + {(char *) "func_code", (getter)__Pyx_CyFunction_get_code, 0, 0, 0}, + {(char *) "__code__", (getter)__Pyx_CyFunction_get_code, 0, 0, 0}, + {(char *) "func_defaults", (getter)__Pyx_CyFunction_get_defaults, (setter)__Pyx_CyFunction_set_defaults, 0, 0}, + {(char *) "__defaults__", (getter)__Pyx_CyFunction_get_defaults, (setter)__Pyx_CyFunction_set_defaults, 0, 0}, + {(char *) "__kwdefaults__", (getter)__Pyx_CyFunction_get_kwdefaults, (setter)__Pyx_CyFunction_set_kwdefaults, 0, 0}, + {(char *) "__annotations__", (getter)__Pyx_CyFunction_get_annotations, (setter)__Pyx_CyFunction_set_annotations, 0, 0}, + {(char *) "_is_coroutine", (getter)__Pyx_CyFunction_get_is_coroutine, 0, 0, 0}, +#if CYTHON_COMPILING_IN_LIMITED_API + {"__module__", (getter)__Pyx_CyFunction_get_module, (setter)__Pyx_CyFunction_set_module, 0, 0}, +#endif + {0, 0, 0, 0, 0} +}; +static PyMemberDef __pyx_CyFunction_members[] = { +#if !CYTHON_COMPILING_IN_LIMITED_API + {(char *) "__module__", T_OBJECT, offsetof(PyCFunctionObject, m_module), 0, 0}, +#endif +#if CYTHON_USE_TYPE_SPECS + {(char *) "__dictoffset__", T_PYSSIZET, offsetof(__pyx_CyFunctionObject, func_dict), READONLY, 0}, +#if CYTHON_METH_FASTCALL +#if CYTHON_BACKPORT_VECTORCALL + {(char *) "__vectorcalloffset__", T_PYSSIZET, offsetof(__pyx_CyFunctionObject, func_vectorcall), READONLY, 0}, +#else +#if !CYTHON_COMPILING_IN_LIMITED_API + {(char *) "__vectorcalloffset__", T_PYSSIZET, offsetof(PyCFunctionObject, vectorcall), READONLY, 0}, +#endif +#endif +#endif +#if PY_VERSION_HEX < 0x030500A0 || CYTHON_COMPILING_IN_LIMITED_API + {(char *) "__weaklistoffset__", T_PYSSIZET, offsetof(__pyx_CyFunctionObject, func_weakreflist), READONLY, 0}, +#else + {(char *) "__weaklistoffset__", T_PYSSIZET, offsetof(PyCFunctionObject, m_weakreflist), READONLY, 0}, +#endif +#endif + {0, 0, 0, 0, 0} +}; +static PyObject * +__Pyx_CyFunction_reduce(__pyx_CyFunctionObject *m, PyObject *args) +{ + CYTHON_UNUSED_VAR(args); +#if PY_MAJOR_VERSION >= 3 + Py_INCREF(m->func_qualname); + return m->func_qualname; +#else + return PyString_FromString(((PyCFunctionObject*)m)->m_ml->ml_name); +#endif +} +static PyMethodDef __pyx_CyFunction_methods[] = { + {"__reduce__", (PyCFunction)__Pyx_CyFunction_reduce, METH_VARARGS, 0}, + {0, 0, 0, 0} +}; +#if PY_VERSION_HEX < 0x030500A0 || CYTHON_COMPILING_IN_LIMITED_API +#define __Pyx_CyFunction_weakreflist(cyfunc) ((cyfunc)->func_weakreflist) +#else +#define __Pyx_CyFunction_weakreflist(cyfunc) (((PyCFunctionObject*)cyfunc)->m_weakreflist) +#endif +static PyObject *__Pyx_CyFunction_Init(__pyx_CyFunctionObject *op, PyMethodDef *ml, int flags, PyObject* qualname, + PyObject *closure, PyObject *module, PyObject* globals, PyObject* code) { +#if !CYTHON_COMPILING_IN_LIMITED_API + PyCFunctionObject *cf = (PyCFunctionObject*) op; +#endif + if (unlikely(op == NULL)) + return NULL; +#if CYTHON_COMPILING_IN_LIMITED_API + op->func = PyCFunction_NewEx(ml, (PyObject*)op, module); + if (unlikely(!op->func)) return NULL; +#endif + op->flags = flags; + __Pyx_CyFunction_weakreflist(op) = NULL; +#if !CYTHON_COMPILING_IN_LIMITED_API + cf->m_ml = ml; + cf->m_self = (PyObject *) op; +#endif + Py_XINCREF(closure); + op->func_closure = closure; +#if !CYTHON_COMPILING_IN_LIMITED_API + Py_XINCREF(module); + cf->m_module = module; +#endif + op->func_dict = NULL; + op->func_name = NULL; + Py_INCREF(qualname); + op->func_qualname = qualname; + op->func_doc = NULL; +#if PY_VERSION_HEX < 0x030900B1 || CYTHON_COMPILING_IN_LIMITED_API + op->func_classobj = NULL; +#else + ((PyCMethodObject*)op)->mm_class = NULL; +#endif + op->func_globals = globals; + Py_INCREF(op->func_globals); + Py_XINCREF(code); + op->func_code = code; + op->defaults_pyobjects = 0; + op->defaults_size = 0; + op->defaults = NULL; + op->defaults_tuple = NULL; + op->defaults_kwdict = NULL; + op->defaults_getter = NULL; + op->func_annotations = NULL; + op->func_is_coroutine = NULL; +#if CYTHON_METH_FASTCALL + switch (ml->ml_flags & (METH_VARARGS | METH_FASTCALL | METH_NOARGS | METH_O | METH_KEYWORDS | METH_METHOD)) { + case METH_NOARGS: + __Pyx_CyFunction_func_vectorcall(op) = __Pyx_CyFunction_Vectorcall_NOARGS; + break; + case METH_O: + __Pyx_CyFunction_func_vectorcall(op) = __Pyx_CyFunction_Vectorcall_O; + break; + case METH_METHOD | METH_FASTCALL | METH_KEYWORDS: + __Pyx_CyFunction_func_vectorcall(op) = __Pyx_CyFunction_Vectorcall_FASTCALL_KEYWORDS_METHOD; + break; + case METH_FASTCALL | METH_KEYWORDS: + __Pyx_CyFunction_func_vectorcall(op) = __Pyx_CyFunction_Vectorcall_FASTCALL_KEYWORDS; + break; + case METH_VARARGS | METH_KEYWORDS: + __Pyx_CyFunction_func_vectorcall(op) = NULL; + break; + default: + PyErr_SetString(PyExc_SystemError, "Bad call flags for CyFunction"); + Py_DECREF(op); + return NULL; + } +#endif + return (PyObject *) op; +} +static int +__Pyx_CyFunction_clear(__pyx_CyFunctionObject *m) +{ + Py_CLEAR(m->func_closure); +#if CYTHON_COMPILING_IN_LIMITED_API + Py_CLEAR(m->func); +#else + Py_CLEAR(((PyCFunctionObject*)m)->m_module); +#endif + Py_CLEAR(m->func_dict); + Py_CLEAR(m->func_name); + Py_CLEAR(m->func_qualname); + Py_CLEAR(m->func_doc); + Py_CLEAR(m->func_globals); + Py_CLEAR(m->func_code); +#if !CYTHON_COMPILING_IN_LIMITED_API +#if PY_VERSION_HEX < 0x030900B1 + Py_CLEAR(__Pyx_CyFunction_GetClassObj(m)); +#else + { + PyObject *cls = (PyObject*) ((PyCMethodObject *) (m))->mm_class; + ((PyCMethodObject *) (m))->mm_class = NULL; + Py_XDECREF(cls); + } +#endif +#endif + Py_CLEAR(m->defaults_tuple); + Py_CLEAR(m->defaults_kwdict); + Py_CLEAR(m->func_annotations); + Py_CLEAR(m->func_is_coroutine); + if (m->defaults) { + PyObject **pydefaults = __Pyx_CyFunction_Defaults(PyObject *, m); + int i; + for (i = 0; i < m->defaults_pyobjects; i++) + Py_XDECREF(pydefaults[i]); + PyObject_Free(m->defaults); + m->defaults = NULL; + } + return 0; +} +static void __Pyx__CyFunction_dealloc(__pyx_CyFunctionObject *m) +{ + if (__Pyx_CyFunction_weakreflist(m) != NULL) + PyObject_ClearWeakRefs((PyObject *) m); + __Pyx_CyFunction_clear(m); + __Pyx_PyHeapTypeObject_GC_Del(m); +} +static void __Pyx_CyFunction_dealloc(__pyx_CyFunctionObject *m) +{ + PyObject_GC_UnTrack(m); + __Pyx__CyFunction_dealloc(m); +} +static int __Pyx_CyFunction_traverse(__pyx_CyFunctionObject *m, visitproc visit, void *arg) +{ + Py_VISIT(m->func_closure); +#if CYTHON_COMPILING_IN_LIMITED_API + Py_VISIT(m->func); +#else + Py_VISIT(((PyCFunctionObject*)m)->m_module); +#endif + Py_VISIT(m->func_dict); + Py_VISIT(m->func_name); + Py_VISIT(m->func_qualname); + Py_VISIT(m->func_doc); + Py_VISIT(m->func_globals); + Py_VISIT(m->func_code); +#if !CYTHON_COMPILING_IN_LIMITED_API + Py_VISIT(__Pyx_CyFunction_GetClassObj(m)); +#endif + Py_VISIT(m->defaults_tuple); + Py_VISIT(m->defaults_kwdict); + Py_VISIT(m->func_is_coroutine); + if (m->defaults) { + PyObject **pydefaults = __Pyx_CyFunction_Defaults(PyObject *, m); + int i; + for (i = 0; i < m->defaults_pyobjects; i++) + Py_VISIT(pydefaults[i]); + } + return 0; +} +static PyObject* +__Pyx_CyFunction_repr(__pyx_CyFunctionObject *op) +{ +#if PY_MAJOR_VERSION >= 3 + return PyUnicode_FromFormat("", + op->func_qualname, (void *)op); +#else + return PyString_FromFormat("", + PyString_AsString(op->func_qualname), (void *)op); +#endif +} +static PyObject * __Pyx_CyFunction_CallMethod(PyObject *func, PyObject *self, PyObject *arg, PyObject *kw) { +#if CYTHON_COMPILING_IN_LIMITED_API + PyObject *f = ((__pyx_CyFunctionObject*)func)->func; + PyObject *py_name = NULL; + PyCFunction meth; + int flags; + meth = PyCFunction_GetFunction(f); + if (unlikely(!meth)) return NULL; + flags = PyCFunction_GetFlags(f); + if (unlikely(flags < 0)) return NULL; +#else + PyCFunctionObject* f = (PyCFunctionObject*)func; + PyCFunction meth = f->m_ml->ml_meth; + int flags = f->m_ml->ml_flags; +#endif + Py_ssize_t size; + switch (flags & (METH_VARARGS | METH_KEYWORDS | METH_NOARGS | METH_O)) { + case METH_VARARGS: + if (likely(kw == NULL || PyDict_Size(kw) == 0)) + return (*meth)(self, arg); + break; + case METH_VARARGS | METH_KEYWORDS: + return (*(PyCFunctionWithKeywords)(void*)meth)(self, arg, kw); + case METH_NOARGS: + if (likely(kw == NULL || PyDict_Size(kw) == 0)) { +#if CYTHON_ASSUME_SAFE_MACROS + size = PyTuple_GET_SIZE(arg); +#else + size = PyTuple_Size(arg); + if (unlikely(size < 0)) return NULL; +#endif + if (likely(size == 0)) + return (*meth)(self, NULL); +#if CYTHON_COMPILING_IN_LIMITED_API + py_name = __Pyx_CyFunction_get_name((__pyx_CyFunctionObject*)func, NULL); + if (!py_name) return NULL; + PyErr_Format(PyExc_TypeError, + "%.200S() takes no arguments (%" CYTHON_FORMAT_SSIZE_T "d given)", + py_name, size); + Py_DECREF(py_name); +#else + PyErr_Format(PyExc_TypeError, + "%.200s() takes no arguments (%" CYTHON_FORMAT_SSIZE_T "d given)", + f->m_ml->ml_name, size); +#endif + return NULL; + } + break; + case METH_O: + if (likely(kw == NULL || PyDict_Size(kw) == 0)) { +#if CYTHON_ASSUME_SAFE_MACROS + size = PyTuple_GET_SIZE(arg); +#else + size = PyTuple_Size(arg); + if (unlikely(size < 0)) return NULL; +#endif + if (likely(size == 1)) { + PyObject *result, *arg0; + #if CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS + arg0 = PyTuple_GET_ITEM(arg, 0); + #else + arg0 = __Pyx_PySequence_ITEM(arg, 0); if (unlikely(!arg0)) return NULL; + #endif + result = (*meth)(self, arg0); + #if !(CYTHON_ASSUME_SAFE_MACROS && !CYTHON_AVOID_BORROWED_REFS) + Py_DECREF(arg0); + #endif + return result; + } +#if CYTHON_COMPILING_IN_LIMITED_API + py_name = __Pyx_CyFunction_get_name((__pyx_CyFunctionObject*)func, NULL); + if (!py_name) return NULL; + PyErr_Format(PyExc_TypeError, + "%.200S() takes exactly one argument (%" CYTHON_FORMAT_SSIZE_T "d given)", + py_name, size); + Py_DECREF(py_name); +#else + PyErr_Format(PyExc_TypeError, + "%.200s() takes exactly one argument (%" CYTHON_FORMAT_SSIZE_T "d given)", + f->m_ml->ml_name, size); +#endif + return NULL; + } + break; + default: + PyErr_SetString(PyExc_SystemError, "Bad call flags for CyFunction"); + return NULL; + } +#if CYTHON_COMPILING_IN_LIMITED_API + py_name = __Pyx_CyFunction_get_name((__pyx_CyFunctionObject*)func, NULL); + if (!py_name) return NULL; + PyErr_Format(PyExc_TypeError, "%.200S() takes no keyword arguments", + py_name); + Py_DECREF(py_name); +#else + PyErr_Format(PyExc_TypeError, "%.200s() takes no keyword arguments", + f->m_ml->ml_name); +#endif + return NULL; +} +static CYTHON_INLINE PyObject *__Pyx_CyFunction_Call(PyObject *func, PyObject *arg, PyObject *kw) { + PyObject *self, *result; +#if CYTHON_COMPILING_IN_LIMITED_API + self = PyCFunction_GetSelf(((__pyx_CyFunctionObject*)func)->func); + if (unlikely(!self) && PyErr_Occurred()) return NULL; +#else + self = ((PyCFunctionObject*)func)->m_self; +#endif + result = __Pyx_CyFunction_CallMethod(func, self, arg, kw); + return result; +} +static PyObject *__Pyx_CyFunction_CallAsMethod(PyObject *func, PyObject *args, PyObject *kw) { + PyObject *result; + __pyx_CyFunctionObject *cyfunc = (__pyx_CyFunctionObject *) func; +#if CYTHON_METH_FASTCALL + __pyx_vectorcallfunc vc = __Pyx_CyFunction_func_vectorcall(cyfunc); + if (vc) { +#if CYTHON_ASSUME_SAFE_MACROS + return __Pyx_PyVectorcall_FastCallDict(func, vc, &PyTuple_GET_ITEM(args, 0), (size_t)PyTuple_GET_SIZE(args), kw); +#else + (void) &__Pyx_PyVectorcall_FastCallDict; + return PyVectorcall_Call(func, args, kw); +#endif + } +#endif + if ((cyfunc->flags & __Pyx_CYFUNCTION_CCLASS) && !(cyfunc->flags & __Pyx_CYFUNCTION_STATICMETHOD)) { + Py_ssize_t argc; + PyObject *new_args; + PyObject *self; +#if CYTHON_ASSUME_SAFE_MACROS + argc = PyTuple_GET_SIZE(args); +#else + argc = PyTuple_Size(args); + if (unlikely(!argc) < 0) return NULL; +#endif + new_args = PyTuple_GetSlice(args, 1, argc); + if (unlikely(!new_args)) + return NULL; + self = PyTuple_GetItem(args, 0); + if (unlikely(!self)) { + Py_DECREF(new_args); +#if PY_MAJOR_VERSION > 2 + PyErr_Format(PyExc_TypeError, + "unbound method %.200S() needs an argument", + cyfunc->func_qualname); +#else + PyErr_SetString(PyExc_TypeError, + "unbound method needs an argument"); +#endif + return NULL; + } + result = __Pyx_CyFunction_CallMethod(func, self, new_args, kw); + Py_DECREF(new_args); + } else { + result = __Pyx_CyFunction_Call(func, args, kw); + } + return result; +} +#if CYTHON_METH_FASTCALL +static CYTHON_INLINE int __Pyx_CyFunction_Vectorcall_CheckArgs(__pyx_CyFunctionObject *cyfunc, Py_ssize_t nargs, PyObject *kwnames) +{ + int ret = 0; + if ((cyfunc->flags & __Pyx_CYFUNCTION_CCLASS) && !(cyfunc->flags & __Pyx_CYFUNCTION_STATICMETHOD)) { + if (unlikely(nargs < 1)) { + PyErr_Format(PyExc_TypeError, "%.200s() needs an argument", + ((PyCFunctionObject*)cyfunc)->m_ml->ml_name); + return -1; + } + ret = 1; + } + if (unlikely(kwnames) && unlikely(PyTuple_GET_SIZE(kwnames))) { + PyErr_Format(PyExc_TypeError, + "%.200s() takes no keyword arguments", ((PyCFunctionObject*)cyfunc)->m_ml->ml_name); + return -1; + } + return ret; +} +static PyObject * __Pyx_CyFunction_Vectorcall_NOARGS(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames) +{ + __pyx_CyFunctionObject *cyfunc = (__pyx_CyFunctionObject *)func; + PyMethodDef* def = ((PyCFunctionObject*)cyfunc)->m_ml; +#if CYTHON_BACKPORT_VECTORCALL + Py_ssize_t nargs = (Py_ssize_t)nargsf; +#else + Py_ssize_t nargs = PyVectorcall_NARGS(nargsf); +#endif + PyObject *self; + switch (__Pyx_CyFunction_Vectorcall_CheckArgs(cyfunc, nargs, kwnames)) { + case 1: + self = args[0]; + args += 1; + nargs -= 1; + break; + case 0: + self = ((PyCFunctionObject*)cyfunc)->m_self; + break; + default: + return NULL; + } + if (unlikely(nargs != 0)) { + PyErr_Format(PyExc_TypeError, + "%.200s() takes no arguments (%" CYTHON_FORMAT_SSIZE_T "d given)", + def->ml_name, nargs); + return NULL; + } + return def->ml_meth(self, NULL); +} +static PyObject * __Pyx_CyFunction_Vectorcall_O(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames) +{ + __pyx_CyFunctionObject *cyfunc = (__pyx_CyFunctionObject *)func; + PyMethodDef* def = ((PyCFunctionObject*)cyfunc)->m_ml; +#if CYTHON_BACKPORT_VECTORCALL + Py_ssize_t nargs = (Py_ssize_t)nargsf; +#else + Py_ssize_t nargs = PyVectorcall_NARGS(nargsf); +#endif + PyObject *self; + switch (__Pyx_CyFunction_Vectorcall_CheckArgs(cyfunc, nargs, kwnames)) { + case 1: + self = args[0]; + args += 1; + nargs -= 1; + break; + case 0: + self = ((PyCFunctionObject*)cyfunc)->m_self; + break; + default: + return NULL; + } + if (unlikely(nargs != 1)) { + PyErr_Format(PyExc_TypeError, + "%.200s() takes exactly one argument (%" CYTHON_FORMAT_SSIZE_T "d given)", + def->ml_name, nargs); + return NULL; + } + return def->ml_meth(self, args[0]); +} +static PyObject * __Pyx_CyFunction_Vectorcall_FASTCALL_KEYWORDS(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames) +{ + __pyx_CyFunctionObject *cyfunc = (__pyx_CyFunctionObject *)func; + PyMethodDef* def = ((PyCFunctionObject*)cyfunc)->m_ml; +#if CYTHON_BACKPORT_VECTORCALL + Py_ssize_t nargs = (Py_ssize_t)nargsf; +#else + Py_ssize_t nargs = PyVectorcall_NARGS(nargsf); +#endif + PyObject *self; + switch (__Pyx_CyFunction_Vectorcall_CheckArgs(cyfunc, nargs, NULL)) { + case 1: + self = args[0]; + args += 1; + nargs -= 1; + break; + case 0: + self = ((PyCFunctionObject*)cyfunc)->m_self; + break; + default: + return NULL; + } + return ((__Pyx_PyCFunctionFastWithKeywords)(void(*)(void))def->ml_meth)(self, args, nargs, kwnames); +} +static PyObject * __Pyx_CyFunction_Vectorcall_FASTCALL_KEYWORDS_METHOD(PyObject *func, PyObject *const *args, size_t nargsf, PyObject *kwnames) +{ + __pyx_CyFunctionObject *cyfunc = (__pyx_CyFunctionObject *)func; + PyMethodDef* def = ((PyCFunctionObject*)cyfunc)->m_ml; + PyTypeObject *cls = (PyTypeObject *) __Pyx_CyFunction_GetClassObj(cyfunc); +#if CYTHON_BACKPORT_VECTORCALL + Py_ssize_t nargs = (Py_ssize_t)nargsf; +#else + Py_ssize_t nargs = PyVectorcall_NARGS(nargsf); +#endif + PyObject *self; + switch (__Pyx_CyFunction_Vectorcall_CheckArgs(cyfunc, nargs, NULL)) { + case 1: + self = args[0]; + args += 1; + nargs -= 1; + break; + case 0: + self = ((PyCFunctionObject*)cyfunc)->m_self; + break; + default: + return NULL; + } + return ((__Pyx_PyCMethod)(void(*)(void))def->ml_meth)(self, cls, args, (size_t)nargs, kwnames); +} +#endif +#if CYTHON_USE_TYPE_SPECS +static PyType_Slot __pyx_CyFunctionType_slots[] = { + {Py_tp_dealloc, (void *)__Pyx_CyFunction_dealloc}, + {Py_tp_repr, (void *)__Pyx_CyFunction_repr}, + {Py_tp_call, (void *)__Pyx_CyFunction_CallAsMethod}, + {Py_tp_traverse, (void *)__Pyx_CyFunction_traverse}, + {Py_tp_clear, (void *)__Pyx_CyFunction_clear}, + {Py_tp_methods, (void *)__pyx_CyFunction_methods}, + {Py_tp_members, (void *)__pyx_CyFunction_members}, + {Py_tp_getset, (void *)__pyx_CyFunction_getsets}, + {Py_tp_descr_get, (void *)__Pyx_PyMethod_New}, + {0, 0}, +}; +static PyType_Spec __pyx_CyFunctionType_spec = { + __PYX_TYPE_MODULE_PREFIX "cython_function_or_method", + sizeof(__pyx_CyFunctionObject), + 0, +#ifdef Py_TPFLAGS_METHOD_DESCRIPTOR + Py_TPFLAGS_METHOD_DESCRIPTOR | +#endif +#if (defined(_Py_TPFLAGS_HAVE_VECTORCALL) && CYTHON_METH_FASTCALL) + _Py_TPFLAGS_HAVE_VECTORCALL | +#endif + Py_TPFLAGS_DEFAULT | Py_TPFLAGS_HAVE_GC | Py_TPFLAGS_BASETYPE, + __pyx_CyFunctionType_slots +}; +#else +static PyTypeObject __pyx_CyFunctionType_type = { + PyVarObject_HEAD_INIT(0, 0) + __PYX_TYPE_MODULE_PREFIX "cython_function_or_method", + sizeof(__pyx_CyFunctionObject), + 0, + (destructor) __Pyx_CyFunction_dealloc, +#if !CYTHON_METH_FASTCALL + 0, +#elif CYTHON_BACKPORT_VECTORCALL + (printfunc)offsetof(__pyx_CyFunctionObject, func_vectorcall), +#else + offsetof(PyCFunctionObject, vectorcall), +#endif + 0, + 0, +#if PY_MAJOR_VERSION < 3 + 0, +#else + 0, +#endif + (reprfunc) __Pyx_CyFunction_repr, + 0, + 0, + 0, + 0, + __Pyx_CyFunction_CallAsMethod, + 0, + 0, + 0, + 0, +#ifdef Py_TPFLAGS_METHOD_DESCRIPTOR + Py_TPFLAGS_METHOD_DESCRIPTOR | +#endif +#if defined(_Py_TPFLAGS_HAVE_VECTORCALL) && CYTHON_METH_FASTCALL + _Py_TPFLAGS_HAVE_VECTORCALL | +#endif + Py_TPFLAGS_DEFAULT | Py_TPFLAGS_HAVE_GC | Py_TPFLAGS_BASETYPE, + 0, + (traverseproc) __Pyx_CyFunction_traverse, + (inquiry) __Pyx_CyFunction_clear, + 0, +#if PY_VERSION_HEX < 0x030500A0 + offsetof(__pyx_CyFunctionObject, func_weakreflist), +#else + offsetof(PyCFunctionObject, m_weakreflist), +#endif + 0, + 0, + __pyx_CyFunction_methods, + __pyx_CyFunction_members, + __pyx_CyFunction_getsets, + 0, + 0, + __Pyx_PyMethod_New, + 0, + offsetof(__pyx_CyFunctionObject, func_dict), + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, + 0, +#if PY_VERSION_HEX >= 0x030400a1 + 0, +#endif +#if PY_VERSION_HEX >= 0x030800b1 && (!CYTHON_COMPILING_IN_PYPY || PYPY_VERSION_NUM >= 0x07030800) + 0, +#endif +#if __PYX_NEED_TP_PRINT_SLOT + 0, +#endif +#if PY_VERSION_HEX >= 0x030C0000 + 0, +#endif +#if PY_VERSION_HEX >= 0x030d00A4 + 0, +#endif +#if CYTHON_COMPILING_IN_PYPY && PY_VERSION_HEX >= 0x03090000 && PY_VERSION_HEX < 0x030a0000 + 0, +#endif +}; +#endif +static int __pyx_CyFunction_init(PyObject *module) { +#if CYTHON_USE_TYPE_SPECS + __pyx_CyFunctionType = __Pyx_FetchCommonTypeFromSpec(module, &__pyx_CyFunctionType_spec, NULL); +#else + CYTHON_UNUSED_VAR(module); + __pyx_CyFunctionType = __Pyx_FetchCommonType(&__pyx_CyFunctionType_type); +#endif + if (unlikely(__pyx_CyFunctionType == NULL)) { + return -1; + } + return 0; +} +static CYTHON_INLINE void *__Pyx_CyFunction_InitDefaults(PyObject *func, size_t size, int pyobjects) { + __pyx_CyFunctionObject *m = (__pyx_CyFunctionObject *) func; + m->defaults = PyObject_Malloc(size); + if (unlikely(!m->defaults)) + return PyErr_NoMemory(); + memset(m->defaults, 0, size); + m->defaults_pyobjects = pyobjects; + m->defaults_size = size; + return m->defaults; +} +static CYTHON_INLINE void __Pyx_CyFunction_SetDefaultsTuple(PyObject *func, PyObject *tuple) { + __pyx_CyFunctionObject *m = (__pyx_CyFunctionObject *) func; + m->defaults_tuple = tuple; + Py_INCREF(tuple); +} +static CYTHON_INLINE void __Pyx_CyFunction_SetDefaultsKwDict(PyObject *func, PyObject *dict) { + __pyx_CyFunctionObject *m = (__pyx_CyFunctionObject *) func; + m->defaults_kwdict = dict; + Py_INCREF(dict); +} +static CYTHON_INLINE void __Pyx_CyFunction_SetAnnotationsDict(PyObject *func, PyObject *dict) { + __pyx_CyFunctionObject *m = (__pyx_CyFunctionObject *) func; + m->func_annotations = dict; + Py_INCREF(dict); +} + +/* CythonFunction */ +static PyObject *__Pyx_CyFunction_New(PyMethodDef *ml, int flags, PyObject* qualname, + PyObject *closure, PyObject *module, PyObject* globals, PyObject* code) { + PyObject *op = __Pyx_CyFunction_Init( + PyObject_GC_New(__pyx_CyFunctionObject, __pyx_CyFunctionType), + ml, flags, qualname, closure, module, globals, code + ); + if (likely(op)) { + PyObject_GC_Track(op); + } + return op; +} + +/* CLineInTraceback */ +#ifndef CYTHON_CLINE_IN_TRACEBACK +static int __Pyx_CLineForTraceback(PyThreadState *tstate, int c_line) { + PyObject *use_cline; + PyObject *ptype, *pvalue, *ptraceback; +#if CYTHON_COMPILING_IN_CPYTHON + PyObject **cython_runtime_dict; +#endif + CYTHON_MAYBE_UNUSED_VAR(tstate); + if (unlikely(!__pyx_cython_runtime)) { + return c_line; + } + __Pyx_ErrFetchInState(tstate, &ptype, &pvalue, &ptraceback); +#if CYTHON_COMPILING_IN_CPYTHON + cython_runtime_dict = _PyObject_GetDictPtr(__pyx_cython_runtime); + if (likely(cython_runtime_dict)) { + __PYX_PY_DICT_LOOKUP_IF_MODIFIED( + use_cline, *cython_runtime_dict, + __Pyx_PyDict_GetItemStr(*cython_runtime_dict, __pyx_n_s_cline_in_traceback)) + } else +#endif + { + PyObject *use_cline_obj = __Pyx_PyObject_GetAttrStrNoError(__pyx_cython_runtime, __pyx_n_s_cline_in_traceback); + if (use_cline_obj) { + use_cline = PyObject_Not(use_cline_obj) ? Py_False : Py_True; + Py_DECREF(use_cline_obj); + } else { + PyErr_Clear(); + use_cline = NULL; + } + } + if (!use_cline) { + c_line = 0; + (void) PyObject_SetAttr(__pyx_cython_runtime, __pyx_n_s_cline_in_traceback, Py_False); + } + else if (use_cline == Py_False || (use_cline != Py_True && PyObject_Not(use_cline) != 0)) { + c_line = 0; + } + __Pyx_ErrRestoreInState(tstate, ptype, pvalue, ptraceback); + return c_line; +} +#endif + +/* CodeObjectCache */ +#if !CYTHON_COMPILING_IN_LIMITED_API +static int __pyx_bisect_code_objects(__Pyx_CodeObjectCacheEntry* entries, int count, int code_line) { + int start = 0, mid = 0, end = count - 1; + if (end >= 0 && code_line > entries[end].code_line) { + return count; + } + while (start < end) { + mid = start + (end - start) / 2; + if (code_line < entries[mid].code_line) { + end = mid; + } else if (code_line > entries[mid].code_line) { + start = mid + 1; + } else { + return mid; + } + } + if (code_line <= entries[mid].code_line) { + return mid; + } else { + return mid + 1; + } +} +static PyCodeObject *__pyx_find_code_object(int code_line) { + PyCodeObject* code_object; + int pos; + if (unlikely(!code_line) || unlikely(!__pyx_code_cache.entries)) { + return NULL; + } + pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); + if (unlikely(pos >= __pyx_code_cache.count) || unlikely(__pyx_code_cache.entries[pos].code_line != code_line)) { + return NULL; + } + code_object = __pyx_code_cache.entries[pos].code_object; + Py_INCREF(code_object); + return code_object; +} +static void __pyx_insert_code_object(int code_line, PyCodeObject* code_object) { + int pos, i; + __Pyx_CodeObjectCacheEntry* entries = __pyx_code_cache.entries; + if (unlikely(!code_line)) { + return; + } + if (unlikely(!entries)) { + entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Malloc(64*sizeof(__Pyx_CodeObjectCacheEntry)); + if (likely(entries)) { + __pyx_code_cache.entries = entries; + __pyx_code_cache.max_count = 64; + __pyx_code_cache.count = 1; + entries[0].code_line = code_line; + entries[0].code_object = code_object; + Py_INCREF(code_object); + } + return; + } + pos = __pyx_bisect_code_objects(__pyx_code_cache.entries, __pyx_code_cache.count, code_line); + if ((pos < __pyx_code_cache.count) && unlikely(__pyx_code_cache.entries[pos].code_line == code_line)) { + PyCodeObject* tmp = entries[pos].code_object; + entries[pos].code_object = code_object; + Py_DECREF(tmp); + return; + } + if (__pyx_code_cache.count == __pyx_code_cache.max_count) { + int new_max = __pyx_code_cache.max_count + 64; + entries = (__Pyx_CodeObjectCacheEntry*)PyMem_Realloc( + __pyx_code_cache.entries, ((size_t)new_max) * sizeof(__Pyx_CodeObjectCacheEntry)); + if (unlikely(!entries)) { + return; + } + __pyx_code_cache.entries = entries; + __pyx_code_cache.max_count = new_max; + } + for (i=__pyx_code_cache.count; i>pos; i--) { + entries[i] = entries[i-1]; + } + entries[pos].code_line = code_line; + entries[pos].code_object = code_object; + __pyx_code_cache.count++; + Py_INCREF(code_object); +} +#endif + +/* AddTraceback */ +#include "compile.h" +#include "frameobject.h" +#include "traceback.h" +#if PY_VERSION_HEX >= 0x030b00a6 && !CYTHON_COMPILING_IN_LIMITED_API + #ifndef Py_BUILD_CORE + #define Py_BUILD_CORE 1 + #endif + #include "internal/pycore_frame.h" +#endif +#if CYTHON_COMPILING_IN_LIMITED_API +static PyObject *__Pyx_PyCode_Replace_For_AddTraceback(PyObject *code, PyObject *scratch_dict, + PyObject *firstlineno, PyObject *name) { + PyObject *replace = NULL; + if (unlikely(PyDict_SetItemString(scratch_dict, "co_firstlineno", firstlineno))) return NULL; + if (unlikely(PyDict_SetItemString(scratch_dict, "co_name", name))) return NULL; + replace = PyObject_GetAttrString(code, "replace"); + if (likely(replace)) { + PyObject *result; + result = PyObject_Call(replace, __pyx_empty_tuple, scratch_dict); + Py_DECREF(replace); + return result; + } + PyErr_Clear(); + #if __PYX_LIMITED_VERSION_HEX < 0x030780000 + { + PyObject *compiled = NULL, *result = NULL; + if (unlikely(PyDict_SetItemString(scratch_dict, "code", code))) return NULL; + if (unlikely(PyDict_SetItemString(scratch_dict, "type", (PyObject*)(&PyType_Type)))) return NULL; + compiled = Py_CompileString( + "out = type(code)(\n" + " code.co_argcount, code.co_kwonlyargcount, code.co_nlocals, code.co_stacksize,\n" + " code.co_flags, code.co_code, code.co_consts, code.co_names,\n" + " code.co_varnames, code.co_filename, co_name, co_firstlineno,\n" + " code.co_lnotab)\n", "", Py_file_input); + if (!compiled) return NULL; + result = PyEval_EvalCode(compiled, scratch_dict, scratch_dict); + Py_DECREF(compiled); + if (!result) PyErr_Print(); + Py_DECREF(result); + result = PyDict_GetItemString(scratch_dict, "out"); + if (result) Py_INCREF(result); + return result; + } + #else + return NULL; + #endif +} +static void __Pyx_AddTraceback(const char *funcname, int c_line, + int py_line, const char *filename) { + PyObject *code_object = NULL, *py_py_line = NULL, *py_funcname = NULL, *dict = NULL; + PyObject *replace = NULL, *getframe = NULL, *frame = NULL; + PyObject *exc_type, *exc_value, *exc_traceback; + int success = 0; + if (c_line) { + (void) __pyx_cfilenm; + (void) __Pyx_CLineForTraceback(__Pyx_PyThreadState_Current, c_line); + } + PyErr_Fetch(&exc_type, &exc_value, &exc_traceback); + code_object = Py_CompileString("_getframe()", filename, Py_eval_input); + if (unlikely(!code_object)) goto bad; + py_py_line = PyLong_FromLong(py_line); + if (unlikely(!py_py_line)) goto bad; + py_funcname = PyUnicode_FromString(funcname); + if (unlikely(!py_funcname)) goto bad; + dict = PyDict_New(); + if (unlikely(!dict)) goto bad; + { + PyObject *old_code_object = code_object; + code_object = __Pyx_PyCode_Replace_For_AddTraceback(code_object, dict, py_py_line, py_funcname); + Py_DECREF(old_code_object); + } + if (unlikely(!code_object)) goto bad; + getframe = PySys_GetObject("_getframe"); + if (unlikely(!getframe)) goto bad; + if (unlikely(PyDict_SetItemString(dict, "_getframe", getframe))) goto bad; + frame = PyEval_EvalCode(code_object, dict, dict); + if (unlikely(!frame) || frame == Py_None) goto bad; + success = 1; + bad: + PyErr_Restore(exc_type, exc_value, exc_traceback); + Py_XDECREF(code_object); + Py_XDECREF(py_py_line); + Py_XDECREF(py_funcname); + Py_XDECREF(dict); + Py_XDECREF(replace); + if (success) { + PyTraceBack_Here( + (struct _frame*)frame); + } + Py_XDECREF(frame); +} +#else +static PyCodeObject* __Pyx_CreateCodeObjectForTraceback( + const char *funcname, int c_line, + int py_line, const char *filename) { + PyCodeObject *py_code = NULL; + PyObject *py_funcname = NULL; + #if PY_MAJOR_VERSION < 3 + PyObject *py_srcfile = NULL; + py_srcfile = PyString_FromString(filename); + if (!py_srcfile) goto bad; + #endif + if (c_line) { + #if PY_MAJOR_VERSION < 3 + py_funcname = PyString_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); + if (!py_funcname) goto bad; + #else + py_funcname = PyUnicode_FromFormat( "%s (%s:%d)", funcname, __pyx_cfilenm, c_line); + if (!py_funcname) goto bad; + funcname = PyUnicode_AsUTF8(py_funcname); + if (!funcname) goto bad; + #endif + } + else { + #if PY_MAJOR_VERSION < 3 + py_funcname = PyString_FromString(funcname); + if (!py_funcname) goto bad; + #endif + } + #if PY_MAJOR_VERSION < 3 + py_code = __Pyx_PyCode_New( + 0, + 0, + 0, + 0, + 0, + 0, + __pyx_empty_bytes, /*PyObject *code,*/ + __pyx_empty_tuple, /*PyObject *consts,*/ + __pyx_empty_tuple, /*PyObject *names,*/ + __pyx_empty_tuple, /*PyObject *varnames,*/ + __pyx_empty_tuple, /*PyObject *freevars,*/ + __pyx_empty_tuple, /*PyObject *cellvars,*/ + py_srcfile, /*PyObject *filename,*/ + py_funcname, /*PyObject *name,*/ + py_line, + __pyx_empty_bytes /*PyObject *lnotab*/ + ); + Py_DECREF(py_srcfile); + #else + py_code = PyCode_NewEmpty(filename, funcname, py_line); + #endif + Py_XDECREF(py_funcname); + return py_code; +bad: + Py_XDECREF(py_funcname); + #if PY_MAJOR_VERSION < 3 + Py_XDECREF(py_srcfile); + #endif + return NULL; +} +static void __Pyx_AddTraceback(const char *funcname, int c_line, + int py_line, const char *filename) { + PyCodeObject *py_code = 0; + PyFrameObject *py_frame = 0; + PyThreadState *tstate = __Pyx_PyThreadState_Current; + PyObject *ptype, *pvalue, *ptraceback; + if (c_line) { + c_line = __Pyx_CLineForTraceback(tstate, c_line); + } + py_code = __pyx_find_code_object(c_line ? -c_line : py_line); + if (!py_code) { + __Pyx_ErrFetchInState(tstate, &ptype, &pvalue, &ptraceback); + py_code = __Pyx_CreateCodeObjectForTraceback( + funcname, c_line, py_line, filename); + if (!py_code) { + /* If the code object creation fails, then we should clear the + fetched exception references and propagate the new exception */ + Py_XDECREF(ptype); + Py_XDECREF(pvalue); + Py_XDECREF(ptraceback); + goto bad; + } + __Pyx_ErrRestoreInState(tstate, ptype, pvalue, ptraceback); + __pyx_insert_code_object(c_line ? -c_line : py_line, py_code); + } + py_frame = PyFrame_New( + tstate, /*PyThreadState *tstate,*/ + py_code, /*PyCodeObject *code,*/ + __pyx_d, /*PyObject *globals,*/ + 0 /*PyObject *locals*/ + ); + if (!py_frame) goto bad; + __Pyx_PyFrame_SetLineNumber(py_frame, py_line); + PyTraceBack_Here(py_frame); +bad: + Py_XDECREF(py_code); + Py_XDECREF(py_frame); +} +#endif + +#if PY_MAJOR_VERSION < 3 +static int __Pyx_GetBuffer(PyObject *obj, Py_buffer *view, int flags) { + __Pyx_TypeName obj_type_name; + if (PyObject_CheckBuffer(obj)) return PyObject_GetBuffer(obj, view, flags); + if (__Pyx_TypeCheck(obj, __pyx_array_type)) return __pyx_array_getbuffer(obj, view, flags); + if (__Pyx_TypeCheck(obj, __pyx_memoryview_type)) return __pyx_memoryview_getbuffer(obj, view, flags); + obj_type_name = __Pyx_PyType_GetName(Py_TYPE(obj)); + PyErr_Format(PyExc_TypeError, + "'" __Pyx_FMT_TYPENAME "' does not have the buffer interface", + obj_type_name); + __Pyx_DECREF_TypeName(obj_type_name); + return -1; +} +static void __Pyx_ReleaseBuffer(Py_buffer *view) { + PyObject *obj = view->obj; + if (!obj) return; + if (PyObject_CheckBuffer(obj)) { + PyBuffer_Release(view); + return; + } + if ((0)) {} + view->obj = NULL; + Py_DECREF(obj); +} +#endif + + +/* MemviewSliceIsContig */ +static int +__pyx_memviewslice_is_contig(const __Pyx_memviewslice mvs, char order, int ndim) +{ + int i, index, step, start; + Py_ssize_t itemsize = mvs.memview->view.itemsize; + if (order == 'F') { + step = 1; + start = 0; + } else { + step = -1; + start = ndim - 1; + } + for (i = 0; i < ndim; i++) { + index = start + step * i; + if (mvs.suboffsets[index] >= 0 || mvs.strides[index] != itemsize) + return 0; + itemsize *= mvs.shape[index]; + } + return 1; +} + +/* OverlappingSlices */ +static void +__pyx_get_array_memory_extents(__Pyx_memviewslice *slice, + void **out_start, void **out_end, + int ndim, size_t itemsize) +{ + char *start, *end; + int i; + start = end = slice->data; + for (i = 0; i < ndim; i++) { + Py_ssize_t stride = slice->strides[i]; + Py_ssize_t extent = slice->shape[i]; + if (extent == 0) { + *out_start = *out_end = start; + return; + } else { + if (stride > 0) + end += stride * (extent - 1); + else + start += stride * (extent - 1); + } + } + *out_start = start; + *out_end = end + itemsize; +} +static int +__pyx_slices_overlap(__Pyx_memviewslice *slice1, + __Pyx_memviewslice *slice2, + int ndim, size_t itemsize) +{ + void *start1, *end1, *start2, *end2; + __pyx_get_array_memory_extents(slice1, &start1, &end1, ndim, itemsize); + __pyx_get_array_memory_extents(slice2, &start2, &end2, ndim, itemsize); + return (start1 < end2) && (start2 < end1); +} + +/* IsLittleEndian */ +static CYTHON_INLINE int __Pyx_Is_Little_Endian(void) +{ + union { + uint32_t u32; + uint8_t u8[4]; + } S; + S.u32 = 0x01020304; + return S.u8[0] == 4; +} + +/* BufferFormatCheck */ +static void __Pyx_BufFmt_Init(__Pyx_BufFmt_Context* ctx, + __Pyx_BufFmt_StackElem* stack, + __Pyx_TypeInfo* type) { + stack[0].field = &ctx->root; + stack[0].parent_offset = 0; + ctx->root.type = type; + ctx->root.name = "buffer dtype"; + ctx->root.offset = 0; + ctx->head = stack; + ctx->head->field = &ctx->root; + ctx->fmt_offset = 0; + ctx->head->parent_offset = 0; + ctx->new_packmode = '@'; + ctx->enc_packmode = '@'; + ctx->new_count = 1; + ctx->enc_count = 0; + ctx->enc_type = 0; + ctx->is_complex = 0; + ctx->is_valid_array = 0; + ctx->struct_alignment = 0; + while (type->typegroup == 'S') { + ++ctx->head; + ctx->head->field = type->fields; + ctx->head->parent_offset = 0; + type = type->fields->type; + } +} +static int __Pyx_BufFmt_ParseNumber(const char** ts) { + int count; + const char* t = *ts; + if (*t < '0' || *t > '9') { + return -1; + } else { + count = *t++ - '0'; + while (*t >= '0' && *t <= '9') { + count *= 10; + count += *t++ - '0'; + } + } + *ts = t; + return count; +} +static int __Pyx_BufFmt_ExpectNumber(const char **ts) { + int number = __Pyx_BufFmt_ParseNumber(ts); + if (number == -1) + PyErr_Format(PyExc_ValueError,\ + "Does not understand character buffer dtype format string ('%c')", **ts); + return number; +} +static void __Pyx_BufFmt_RaiseUnexpectedChar(char ch) { + PyErr_Format(PyExc_ValueError, + "Unexpected format string character: '%c'", ch); +} +static const char* __Pyx_BufFmt_DescribeTypeChar(char ch, int is_complex) { + switch (ch) { + case '?': return "'bool'"; + case 'c': return "'char'"; + case 'b': return "'signed char'"; + case 'B': return "'unsigned char'"; + case 'h': return "'short'"; + case 'H': return "'unsigned short'"; + case 'i': return "'int'"; + case 'I': return "'unsigned int'"; + case 'l': return "'long'"; + case 'L': return "'unsigned long'"; + case 'q': return "'long long'"; + case 'Q': return "'unsigned long long'"; + case 'f': return (is_complex ? "'complex float'" : "'float'"); + case 'd': return (is_complex ? "'complex double'" : "'double'"); + case 'g': return (is_complex ? "'complex long double'" : "'long double'"); + case 'T': return "a struct"; + case 'O': return "Python object"; + case 'P': return "a pointer"; + case 's': case 'p': return "a string"; + case 0: return "end"; + default: return "unparsable format string"; + } +} +static size_t __Pyx_BufFmt_TypeCharToStandardSize(char ch, int is_complex) { + switch (ch) { + case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; + case 'h': case 'H': return 2; + case 'i': case 'I': case 'l': case 'L': return 4; + case 'q': case 'Q': return 8; + case 'f': return (is_complex ? 8 : 4); + case 'd': return (is_complex ? 16 : 8); + case 'g': { + PyErr_SetString(PyExc_ValueError, "Python does not define a standard format string size for long double ('g').."); + return 0; + } + case 'O': case 'P': return sizeof(void*); + default: + __Pyx_BufFmt_RaiseUnexpectedChar(ch); + return 0; + } +} +static size_t __Pyx_BufFmt_TypeCharToNativeSize(char ch, int is_complex) { + switch (ch) { + case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; + case 'h': case 'H': return sizeof(short); + case 'i': case 'I': return sizeof(int); + case 'l': case 'L': return sizeof(long); + #ifdef HAVE_LONG_LONG + case 'q': case 'Q': return sizeof(PY_LONG_LONG); + #endif + case 'f': return sizeof(float) * (is_complex ? 2 : 1); + case 'd': return sizeof(double) * (is_complex ? 2 : 1); + case 'g': return sizeof(long double) * (is_complex ? 2 : 1); + case 'O': case 'P': return sizeof(void*); + default: { + __Pyx_BufFmt_RaiseUnexpectedChar(ch); + return 0; + } + } +} +typedef struct { char c; short x; } __Pyx_st_short; +typedef struct { char c; int x; } __Pyx_st_int; +typedef struct { char c; long x; } __Pyx_st_long; +typedef struct { char c; float x; } __Pyx_st_float; +typedef struct { char c; double x; } __Pyx_st_double; +typedef struct { char c; long double x; } __Pyx_st_longdouble; +typedef struct { char c; void *x; } __Pyx_st_void_p; +#ifdef HAVE_LONG_LONG +typedef struct { char c; PY_LONG_LONG x; } __Pyx_st_longlong; +#endif +static size_t __Pyx_BufFmt_TypeCharToAlignment(char ch, int is_complex) { + CYTHON_UNUSED_VAR(is_complex); + switch (ch) { + case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; + case 'h': case 'H': return sizeof(__Pyx_st_short) - sizeof(short); + case 'i': case 'I': return sizeof(__Pyx_st_int) - sizeof(int); + case 'l': case 'L': return sizeof(__Pyx_st_long) - sizeof(long); +#ifdef HAVE_LONG_LONG + case 'q': case 'Q': return sizeof(__Pyx_st_longlong) - sizeof(PY_LONG_LONG); +#endif + case 'f': return sizeof(__Pyx_st_float) - sizeof(float); + case 'd': return sizeof(__Pyx_st_double) - sizeof(double); + case 'g': return sizeof(__Pyx_st_longdouble) - sizeof(long double); + case 'P': case 'O': return sizeof(__Pyx_st_void_p) - sizeof(void*); + default: + __Pyx_BufFmt_RaiseUnexpectedChar(ch); + return 0; + } +} +/* These are for computing the padding at the end of the struct to align + on the first member of the struct. This will probably the same as above, + but we don't have any guarantees. + */ +typedef struct { short x; char c; } __Pyx_pad_short; +typedef struct { int x; char c; } __Pyx_pad_int; +typedef struct { long x; char c; } __Pyx_pad_long; +typedef struct { float x; char c; } __Pyx_pad_float; +typedef struct { double x; char c; } __Pyx_pad_double; +typedef struct { long double x; char c; } __Pyx_pad_longdouble; +typedef struct { void *x; char c; } __Pyx_pad_void_p; +#ifdef HAVE_LONG_LONG +typedef struct { PY_LONG_LONG x; char c; } __Pyx_pad_longlong; +#endif +static size_t __Pyx_BufFmt_TypeCharToPadding(char ch, int is_complex) { + CYTHON_UNUSED_VAR(is_complex); + switch (ch) { + case '?': case 'c': case 'b': case 'B': case 's': case 'p': return 1; + case 'h': case 'H': return sizeof(__Pyx_pad_short) - sizeof(short); + case 'i': case 'I': return sizeof(__Pyx_pad_int) - sizeof(int); + case 'l': case 'L': return sizeof(__Pyx_pad_long) - sizeof(long); +#ifdef HAVE_LONG_LONG + case 'q': case 'Q': return sizeof(__Pyx_pad_longlong) - sizeof(PY_LONG_LONG); +#endif + case 'f': return sizeof(__Pyx_pad_float) - sizeof(float); + case 'd': return sizeof(__Pyx_pad_double) - sizeof(double); + case 'g': return sizeof(__Pyx_pad_longdouble) - sizeof(long double); + case 'P': case 'O': return sizeof(__Pyx_pad_void_p) - sizeof(void*); + default: + __Pyx_BufFmt_RaiseUnexpectedChar(ch); + return 0; + } +} +static char __Pyx_BufFmt_TypeCharToGroup(char ch, int is_complex) { + switch (ch) { + case 'c': + return 'H'; + case 'b': case 'h': case 'i': + case 'l': case 'q': case 's': case 'p': + return 'I'; + case '?': case 'B': case 'H': case 'I': case 'L': case 'Q': + return 'U'; + case 'f': case 'd': case 'g': + return (is_complex ? 'C' : 'R'); + case 'O': + return 'O'; + case 'P': + return 'P'; + default: { + __Pyx_BufFmt_RaiseUnexpectedChar(ch); + return 0; + } + } +} +static void __Pyx_BufFmt_RaiseExpected(__Pyx_BufFmt_Context* ctx) { + if (ctx->head == NULL || ctx->head->field == &ctx->root) { + const char* expected; + const char* quote; + if (ctx->head == NULL) { + expected = "end"; + quote = ""; + } else { + expected = ctx->head->field->type->name; + quote = "'"; + } + PyErr_Format(PyExc_ValueError, + "Buffer dtype mismatch, expected %s%s%s but got %s", + quote, expected, quote, + __Pyx_BufFmt_DescribeTypeChar(ctx->enc_type, ctx->is_complex)); + } else { + __Pyx_StructField* field = ctx->head->field; + __Pyx_StructField* parent = (ctx->head - 1)->field; + PyErr_Format(PyExc_ValueError, + "Buffer dtype mismatch, expected '%s' but got %s in '%s.%s'", + field->type->name, __Pyx_BufFmt_DescribeTypeChar(ctx->enc_type, ctx->is_complex), + parent->type->name, field->name); + } +} +static int __Pyx_BufFmt_ProcessTypeChunk(__Pyx_BufFmt_Context* ctx) { + char group; + size_t size, offset, arraysize = 1; + if (ctx->enc_type == 0) return 0; + if (ctx->head->field->type->arraysize[0]) { + int i, ndim = 0; + if (ctx->enc_type == 's' || ctx->enc_type == 'p') { + ctx->is_valid_array = ctx->head->field->type->ndim == 1; + ndim = 1; + if (ctx->enc_count != ctx->head->field->type->arraysize[0]) { + PyErr_Format(PyExc_ValueError, + "Expected a dimension of size %zu, got %zu", + ctx->head->field->type->arraysize[0], ctx->enc_count); + return -1; + } + } + if (!ctx->is_valid_array) { + PyErr_Format(PyExc_ValueError, "Expected %d dimensions, got %d", + ctx->head->field->type->ndim, ndim); + return -1; + } + for (i = 0; i < ctx->head->field->type->ndim; i++) { + arraysize *= ctx->head->field->type->arraysize[i]; + } + ctx->is_valid_array = 0; + ctx->enc_count = 1; + } + group = __Pyx_BufFmt_TypeCharToGroup(ctx->enc_type, ctx->is_complex); + do { + __Pyx_StructField* field = ctx->head->field; + __Pyx_TypeInfo* type = field->type; + if (ctx->enc_packmode == '@' || ctx->enc_packmode == '^') { + size = __Pyx_BufFmt_TypeCharToNativeSize(ctx->enc_type, ctx->is_complex); + } else { + size = __Pyx_BufFmt_TypeCharToStandardSize(ctx->enc_type, ctx->is_complex); + } + if (ctx->enc_packmode == '@') { + size_t align_at = __Pyx_BufFmt_TypeCharToAlignment(ctx->enc_type, ctx->is_complex); + size_t align_mod_offset; + if (align_at == 0) return -1; + align_mod_offset = ctx->fmt_offset % align_at; + if (align_mod_offset > 0) ctx->fmt_offset += align_at - align_mod_offset; + if (ctx->struct_alignment == 0) + ctx->struct_alignment = __Pyx_BufFmt_TypeCharToPadding(ctx->enc_type, + ctx->is_complex); + } + if (type->size != size || type->typegroup != group) { + if (type->typegroup == 'C' && type->fields != NULL) { + size_t parent_offset = ctx->head->parent_offset + field->offset; + ++ctx->head; + ctx->head->field = type->fields; + ctx->head->parent_offset = parent_offset; + continue; + } + if ((type->typegroup == 'H' || group == 'H') && type->size == size) { + } else { + __Pyx_BufFmt_RaiseExpected(ctx); + return -1; + } + } + offset = ctx->head->parent_offset + field->offset; + if (ctx->fmt_offset != offset) { + PyErr_Format(PyExc_ValueError, + "Buffer dtype mismatch; next field is at offset %" CYTHON_FORMAT_SSIZE_T "d but %" CYTHON_FORMAT_SSIZE_T "d expected", + (Py_ssize_t)ctx->fmt_offset, (Py_ssize_t)offset); + return -1; + } + ctx->fmt_offset += size; + if (arraysize) + ctx->fmt_offset += (arraysize - 1) * size; + --ctx->enc_count; + while (1) { + if (field == &ctx->root) { + ctx->head = NULL; + if (ctx->enc_count != 0) { + __Pyx_BufFmt_RaiseExpected(ctx); + return -1; + } + break; + } + ctx->head->field = ++field; + if (field->type == NULL) { + --ctx->head; + field = ctx->head->field; + continue; + } else if (field->type->typegroup == 'S') { + size_t parent_offset = ctx->head->parent_offset + field->offset; + if (field->type->fields->type == NULL) continue; + field = field->type->fields; + ++ctx->head; + ctx->head->field = field; + ctx->head->parent_offset = parent_offset; + break; + } else { + break; + } + } + } while (ctx->enc_count); + ctx->enc_type = 0; + ctx->is_complex = 0; + return 0; +} +static int +__pyx_buffmt_parse_array(__Pyx_BufFmt_Context* ctx, const char** tsp) +{ + const char *ts = *tsp; + int i = 0, number, ndim; + ++ts; + if (ctx->new_count != 1) { + PyErr_SetString(PyExc_ValueError, + "Cannot handle repeated arrays in format string"); + return -1; + } + if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return -1; + ndim = ctx->head->field->type->ndim; + while (*ts && *ts != ')') { + switch (*ts) { + case ' ': case '\f': case '\r': case '\n': case '\t': case '\v': continue; + default: break; + } + number = __Pyx_BufFmt_ExpectNumber(&ts); + if (number == -1) return -1; + if (i < ndim && (size_t) number != ctx->head->field->type->arraysize[i]) { + PyErr_Format(PyExc_ValueError, + "Expected a dimension of size %zu, got %d", + ctx->head->field->type->arraysize[i], number); + return -1; + } + if (*ts != ',' && *ts != ')') { + PyErr_Format(PyExc_ValueError, + "Expected a comma in format string, got '%c'", *ts); + return -1; + } + if (*ts == ',') ts++; + i++; + } + if (i != ndim) { + PyErr_Format(PyExc_ValueError, "Expected %d dimension(s), got %d", + ctx->head->field->type->ndim, i); + return -1; + } + if (!*ts) { + PyErr_SetString(PyExc_ValueError, + "Unexpected end of format string, expected ')'"); + return -1; + } + ctx->is_valid_array = 1; + ctx->new_count = 1; + *tsp = ++ts; + return 0; +} +static const char* __Pyx_BufFmt_CheckString(__Pyx_BufFmt_Context* ctx, const char* ts) { + int got_Z = 0; + while (1) { + switch(*ts) { + case 0: + if (ctx->enc_type != 0 && ctx->head == NULL) { + __Pyx_BufFmt_RaiseExpected(ctx); + return NULL; + } + if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; + if (ctx->head != NULL) { + __Pyx_BufFmt_RaiseExpected(ctx); + return NULL; + } + return ts; + case ' ': + case '\r': + case '\n': + ++ts; + break; + case '<': + if (!__Pyx_Is_Little_Endian()) { + PyErr_SetString(PyExc_ValueError, "Little-endian buffer not supported on big-endian compiler"); + return NULL; + } + ctx->new_packmode = '='; + ++ts; + break; + case '>': + case '!': + if (__Pyx_Is_Little_Endian()) { + PyErr_SetString(PyExc_ValueError, "Big-endian buffer not supported on little-endian compiler"); + return NULL; + } + ctx->new_packmode = '='; + ++ts; + break; + case '=': + case '@': + case '^': + ctx->new_packmode = *ts++; + break; + case 'T': + { + const char* ts_after_sub; + size_t i, struct_count = ctx->new_count; + size_t struct_alignment = ctx->struct_alignment; + ctx->new_count = 1; + ++ts; + if (*ts != '{') { + PyErr_SetString(PyExc_ValueError, "Buffer acquisition: Expected '{' after 'T'"); + return NULL; + } + if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; + ctx->enc_type = 0; + ctx->enc_count = 0; + ctx->struct_alignment = 0; + ++ts; + ts_after_sub = ts; + for (i = 0; i != struct_count; ++i) { + ts_after_sub = __Pyx_BufFmt_CheckString(ctx, ts); + if (!ts_after_sub) return NULL; + } + ts = ts_after_sub; + if (struct_alignment) ctx->struct_alignment = struct_alignment; + } + break; + case '}': + { + size_t alignment = ctx->struct_alignment; + ++ts; + if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; + ctx->enc_type = 0; + if (alignment && ctx->fmt_offset % alignment) { + ctx->fmt_offset += alignment - (ctx->fmt_offset % alignment); + } + } + return ts; + case 'x': + if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; + ctx->fmt_offset += ctx->new_count; + ctx->new_count = 1; + ctx->enc_count = 0; + ctx->enc_type = 0; + ctx->enc_packmode = ctx->new_packmode; + ++ts; + break; + case 'Z': + got_Z = 1; + ++ts; + if (*ts != 'f' && *ts != 'd' && *ts != 'g') { + __Pyx_BufFmt_RaiseUnexpectedChar('Z'); + return NULL; + } + CYTHON_FALLTHROUGH; + case '?': case 'c': case 'b': case 'B': case 'h': case 'H': case 'i': case 'I': + case 'l': case 'L': case 'q': case 'Q': + case 'f': case 'd': case 'g': + case 'O': case 'p': + if ((ctx->enc_type == *ts) && (got_Z == ctx->is_complex) && + (ctx->enc_packmode == ctx->new_packmode) && (!ctx->is_valid_array)) { + ctx->enc_count += ctx->new_count; + ctx->new_count = 1; + got_Z = 0; + ++ts; + break; + } + CYTHON_FALLTHROUGH; + case 's': + if (__Pyx_BufFmt_ProcessTypeChunk(ctx) == -1) return NULL; + ctx->enc_count = ctx->new_count; + ctx->enc_packmode = ctx->new_packmode; + ctx->enc_type = *ts; + ctx->is_complex = got_Z; + ++ts; + ctx->new_count = 1; + got_Z = 0; + break; + case ':': + ++ts; + while(*ts != ':') ++ts; + ++ts; + break; + case '(': + if (__pyx_buffmt_parse_array(ctx, &ts) < 0) return NULL; + break; + default: + { + int number = __Pyx_BufFmt_ExpectNumber(&ts); + if (number == -1) return NULL; + ctx->new_count = (size_t)number; + } + } + } +} + +/* TypeInfoCompare */ + static int +__pyx_typeinfo_cmp(__Pyx_TypeInfo *a, __Pyx_TypeInfo *b) +{ + int i; + if (!a || !b) + return 0; + if (a == b) + return 1; + if (a->size != b->size || a->typegroup != b->typegroup || + a->is_unsigned != b->is_unsigned || a->ndim != b->ndim) { + if (a->typegroup == 'H' || b->typegroup == 'H') { + return a->size == b->size; + } else { + return 0; + } + } + if (a->ndim) { + for (i = 0; i < a->ndim; i++) + if (a->arraysize[i] != b->arraysize[i]) + return 0; + } + if (a->typegroup == 'S') { + if (a->flags != b->flags) + return 0; + if (a->fields || b->fields) { + if (!(a->fields && b->fields)) + return 0; + for (i = 0; a->fields[i].type && b->fields[i].type; i++) { + __Pyx_StructField *field_a = a->fields + i; + __Pyx_StructField *field_b = b->fields + i; + if (field_a->offset != field_b->offset || + !__pyx_typeinfo_cmp(field_a->type, field_b->type)) + return 0; + } + return !a->fields[i].type && !b->fields[i].type; + } + } + return 1; +} + +/* MemviewSliceValidateAndInit */ + static int +__pyx_check_strides(Py_buffer *buf, int dim, int ndim, int spec) +{ + if (buf->shape[dim] <= 1) + return 1; + if (buf->strides) { + if (spec & __Pyx_MEMVIEW_CONTIG) { + if (spec & (__Pyx_MEMVIEW_PTR|__Pyx_MEMVIEW_FULL)) { + if (unlikely(buf->strides[dim] != sizeof(void *))) { + PyErr_Format(PyExc_ValueError, + "Buffer is not indirectly contiguous " + "in dimension %d.", dim); + goto fail; + } + } else if (unlikely(buf->strides[dim] != buf->itemsize)) { + PyErr_SetString(PyExc_ValueError, + "Buffer and memoryview are not contiguous " + "in the same dimension."); + goto fail; + } + } + if (spec & __Pyx_MEMVIEW_FOLLOW) { + Py_ssize_t stride = buf->strides[dim]; + if (stride < 0) + stride = -stride; + if (unlikely(stride < buf->itemsize)) { + PyErr_SetString(PyExc_ValueError, + "Buffer and memoryview are not contiguous " + "in the same dimension."); + goto fail; + } + } + } else { + if (unlikely(spec & __Pyx_MEMVIEW_CONTIG && dim != ndim - 1)) { + PyErr_Format(PyExc_ValueError, + "C-contiguous buffer is not contiguous in " + "dimension %d", dim); + goto fail; + } else if (unlikely(spec & (__Pyx_MEMVIEW_PTR))) { + PyErr_Format(PyExc_ValueError, + "C-contiguous buffer is not indirect in " + "dimension %d", dim); + goto fail; + } else if (unlikely(buf->suboffsets)) { + PyErr_SetString(PyExc_ValueError, + "Buffer exposes suboffsets but no strides"); + goto fail; + } + } + return 1; +fail: + return 0; +} +static int +__pyx_check_suboffsets(Py_buffer *buf, int dim, int ndim, int spec) +{ + CYTHON_UNUSED_VAR(ndim); + if (spec & __Pyx_MEMVIEW_DIRECT) { + if (unlikely(buf->suboffsets && buf->suboffsets[dim] >= 0)) { + PyErr_Format(PyExc_ValueError, + "Buffer not compatible with direct access " + "in dimension %d.", dim); + goto fail; + } + } + if (spec & __Pyx_MEMVIEW_PTR) { + if (unlikely(!buf->suboffsets || (buf->suboffsets[dim] < 0))) { + PyErr_Format(PyExc_ValueError, + "Buffer is not indirectly accessible " + "in dimension %d.", dim); + goto fail; + } + } + return 1; +fail: + return 0; +} +static int +__pyx_verify_contig(Py_buffer *buf, int ndim, int c_or_f_flag) +{ + int i; + if (c_or_f_flag & __Pyx_IS_F_CONTIG) { + Py_ssize_t stride = 1; + for (i = 0; i < ndim; i++) { + if (unlikely(stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1)) { + PyErr_SetString(PyExc_ValueError, + "Buffer not fortran contiguous."); + goto fail; + } + stride = stride * buf->shape[i]; + } + } else if (c_or_f_flag & __Pyx_IS_C_CONTIG) { + Py_ssize_t stride = 1; + for (i = ndim - 1; i >- 1; i--) { + if (unlikely(stride * buf->itemsize != buf->strides[i] && buf->shape[i] > 1)) { + PyErr_SetString(PyExc_ValueError, + "Buffer not C contiguous."); + goto fail; + } + stride = stride * buf->shape[i]; + } + } + return 1; +fail: + return 0; +} +static int __Pyx_ValidateAndInit_memviewslice( + int *axes_specs, + int c_or_f_flag, + int buf_flags, + int ndim, + __Pyx_TypeInfo *dtype, + __Pyx_BufFmt_StackElem stack[], + __Pyx_memviewslice *memviewslice, + PyObject *original_obj) +{ + struct __pyx_memoryview_obj *memview, *new_memview; + __Pyx_RefNannyDeclarations + Py_buffer *buf; + int i, spec = 0, retval = -1; + __Pyx_BufFmt_Context ctx; + int from_memoryview = __pyx_memoryview_check(original_obj); + __Pyx_RefNannySetupContext("ValidateAndInit_memviewslice", 0); + if (from_memoryview && __pyx_typeinfo_cmp(dtype, ((struct __pyx_memoryview_obj *) + original_obj)->typeinfo)) { + memview = (struct __pyx_memoryview_obj *) original_obj; + new_memview = NULL; + } else { + memview = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( + original_obj, buf_flags, 0, dtype); + new_memview = memview; + if (unlikely(!memview)) + goto fail; + } + buf = &memview->view; + if (unlikely(buf->ndim != ndim)) { + PyErr_Format(PyExc_ValueError, + "Buffer has wrong number of dimensions (expected %d, got %d)", + ndim, buf->ndim); + goto fail; + } + if (new_memview) { + __Pyx_BufFmt_Init(&ctx, stack, dtype); + if (unlikely(!__Pyx_BufFmt_CheckString(&ctx, buf->format))) goto fail; + } + if (unlikely((unsigned) buf->itemsize != dtype->size)) { + PyErr_Format(PyExc_ValueError, + "Item size of buffer (%" CYTHON_FORMAT_SSIZE_T "u byte%s) " + "does not match size of '%s' (%" CYTHON_FORMAT_SSIZE_T "u byte%s)", + buf->itemsize, + (buf->itemsize > 1) ? "s" : "", + dtype->name, + dtype->size, + (dtype->size > 1) ? "s" : ""); + goto fail; + } + if (buf->len > 0) { + for (i = 0; i < ndim; i++) { + spec = axes_specs[i]; + if (unlikely(!__pyx_check_strides(buf, i, ndim, spec))) + goto fail; + if (unlikely(!__pyx_check_suboffsets(buf, i, ndim, spec))) + goto fail; + } + if (unlikely(buf->strides && !__pyx_verify_contig(buf, ndim, c_or_f_flag))) + goto fail; + } + if (unlikely(__Pyx_init_memviewslice(memview, ndim, memviewslice, + new_memview != NULL) == -1)) { + goto fail; + } + retval = 0; + goto no_fail; +fail: + Py_XDECREF(new_memview); + retval = -1; +no_fail: + __Pyx_RefNannyFinishContext(); + return retval; +} + +/* ObjectToMemviewSlice */ + static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_dsds_float(PyObject *obj, int writable_flag) { + __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; + __Pyx_BufFmt_StackElem stack[1]; + int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED), (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; + int retcode; + if (obj == Py_None) { + result.memview = (struct __pyx_memoryview_obj *) Py_None; + return result; + } + retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, + PyBUF_RECORDS_RO | writable_flag, 2, + &__Pyx_TypeInfo_float, stack, + &result, obj); + if (unlikely(retcode == -1)) + goto __pyx_fail; + return result; +__pyx_fail: + result.memview = NULL; + result.data = NULL; + return result; +} + +/* ObjectToMemviewSlice */ + static CYTHON_INLINE __Pyx_memviewslice __Pyx_PyObject_to_MemoryviewSlice_ds_long(PyObject *obj, int writable_flag) { + __Pyx_memviewslice result = { 0, 0, { 0 }, { 0 }, { 0 } }; + __Pyx_BufFmt_StackElem stack[1]; + int axes_specs[] = { (__Pyx_MEMVIEW_DIRECT | __Pyx_MEMVIEW_STRIDED) }; + int retcode; + if (obj == Py_None) { + result.memview = (struct __pyx_memoryview_obj *) Py_None; + return result; + } + retcode = __Pyx_ValidateAndInit_memviewslice(axes_specs, 0, + PyBUF_RECORDS_RO | writable_flag, 1, + &__Pyx_TypeInfo_long, stack, + &result, obj); + if (unlikely(retcode == -1)) + goto __pyx_fail; + return result; +__pyx_fail: + result.memview = NULL; + result.data = NULL; + return result; +} + +/* CIntFromPyVerify */ + #define __PYX_VERIFY_RETURN_INT(target_type, func_type, func_value)\ + __PYX__VERIFY_RETURN_INT(target_type, func_type, func_value, 0) +#define __PYX_VERIFY_RETURN_INT_EXC(target_type, func_type, func_value)\ + __PYX__VERIFY_RETURN_INT(target_type, func_type, func_value, 1) +#define __PYX__VERIFY_RETURN_INT(target_type, func_type, func_value, exc)\ + {\ + func_type value = func_value;\ + if (sizeof(target_type) < sizeof(func_type)) {\ + if (unlikely(value != (func_type) (target_type) value)) {\ + func_type zero = 0;\ + if (exc && unlikely(value == (func_type)-1 && PyErr_Occurred()))\ + return (target_type) -1;\ + if (is_unsigned && unlikely(value < zero))\ + goto raise_neg_overflow;\ + else\ + goto raise_overflow;\ + }\ + }\ + return (target_type) value;\ + } + +/* MemviewDtypeToObject */ + static CYTHON_INLINE PyObject *__pyx_memview_get_float(const char *itemp) { + return (PyObject *) PyFloat_FromDouble(*(float *) itemp); +} +static CYTHON_INLINE int __pyx_memview_set_float(const char *itemp, PyObject *obj) { + float value = __pyx_PyFloat_AsFloat(obj); + if (unlikely((value == (float)-1) && PyErr_Occurred())) + return 0; + *(float *) itemp = value; + return 1; +} + +/* Declarations */ + #if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) + #ifdef __cplusplus + static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { + return ::std::complex< float >(x, y); + } + #else + static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { + return x + y*(__pyx_t_float_complex)_Complex_I; + } + #endif +#else + static CYTHON_INLINE __pyx_t_float_complex __pyx_t_float_complex_from_parts(float x, float y) { + __pyx_t_float_complex z; + z.real = x; + z.imag = y; + return z; + } +#endif + +/* Arithmetic */ + #if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) +#else + static CYTHON_INLINE int __Pyx_c_eq_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + return (a.real == b.real) && (a.imag == b.imag); + } + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_sum_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + __pyx_t_float_complex z; + z.real = a.real + b.real; + z.imag = a.imag + b.imag; + return z; + } + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_diff_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + __pyx_t_float_complex z; + z.real = a.real - b.real; + z.imag = a.imag - b.imag; + return z; + } + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_prod_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + __pyx_t_float_complex z; + z.real = a.real * b.real - a.imag * b.imag; + z.imag = a.real * b.imag + a.imag * b.real; + return z; + } + #if 1 + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quot_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + if (b.imag == 0) { + return __pyx_t_float_complex_from_parts(a.real / b.real, a.imag / b.real); + } else if (fabsf(b.real) >= fabsf(b.imag)) { + if (b.real == 0 && b.imag == 0) { + return __pyx_t_float_complex_from_parts(a.real / b.real, a.imag / b.imag); + } else { + float r = b.imag / b.real; + float s = (float)(1.0) / (b.real + b.imag * r); + return __pyx_t_float_complex_from_parts( + (a.real + a.imag * r) * s, (a.imag - a.real * r) * s); + } + } else { + float r = b.real / b.imag; + float s = (float)(1.0) / (b.imag + b.real * r); + return __pyx_t_float_complex_from_parts( + (a.real * r + a.imag) * s, (a.imag * r - a.real) * s); + } + } + #else + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_quot_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + if (b.imag == 0) { + return __pyx_t_float_complex_from_parts(a.real / b.real, a.imag / b.real); + } else { + float denom = b.real * b.real + b.imag * b.imag; + return __pyx_t_float_complex_from_parts( + (a.real * b.real + a.imag * b.imag) / denom, + (a.imag * b.real - a.real * b.imag) / denom); + } + } + #endif + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_neg_float(__pyx_t_float_complex a) { + __pyx_t_float_complex z; + z.real = -a.real; + z.imag = -a.imag; + return z; + } + static CYTHON_INLINE int __Pyx_c_is_zero_float(__pyx_t_float_complex a) { + return (a.real == 0) && (a.imag == 0); + } + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_conj_float(__pyx_t_float_complex a) { + __pyx_t_float_complex z; + z.real = a.real; + z.imag = -a.imag; + return z; + } + #if 1 + static CYTHON_INLINE float __Pyx_c_abs_float(__pyx_t_float_complex z) { + #if !defined(HAVE_HYPOT) || defined(_MSC_VER) + return sqrtf(z.real*z.real + z.imag*z.imag); + #else + return hypotf(z.real, z.imag); + #endif + } + static CYTHON_INLINE __pyx_t_float_complex __Pyx_c_pow_float(__pyx_t_float_complex a, __pyx_t_float_complex b) { + __pyx_t_float_complex z; + float r, lnr, theta, z_r, z_theta; + if (b.imag == 0 && b.real == (int)b.real) { + if (b.real < 0) { + float denom = a.real * a.real + a.imag * a.imag; + a.real = a.real / denom; + a.imag = -a.imag / denom; + b.real = -b.real; + } + switch ((int)b.real) { + case 0: + z.real = 1; + z.imag = 0; + return z; + case 1: + return a; + case 2: + return __Pyx_c_prod_float(a, a); + case 3: + z = __Pyx_c_prod_float(a, a); + return __Pyx_c_prod_float(z, a); + case 4: + z = __Pyx_c_prod_float(a, a); + return __Pyx_c_prod_float(z, z); + } + } + if (a.imag == 0) { + if (a.real == 0) { + return a; + } else if ((b.imag == 0) && (a.real >= 0)) { + z.real = powf(a.real, b.real); + z.imag = 0; + return z; + } else if (a.real > 0) { + r = a.real; + theta = 0; + } else { + r = -a.real; + theta = atan2f(0.0, -1.0); + } + } else { + r = __Pyx_c_abs_float(a); + theta = atan2f(a.imag, a.real); + } + lnr = logf(r); + z_r = expf(lnr * b.real - theta * b.imag); + z_theta = theta * b.real + lnr * b.imag; + z.real = z_r * cosf(z_theta); + z.imag = z_r * sinf(z_theta); + return z; + } + #endif +#endif + +/* Declarations */ + #if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) + #ifdef __cplusplus + static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { + return ::std::complex< double >(x, y); + } + #else + static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { + return x + y*(__pyx_t_double_complex)_Complex_I; + } + #endif +#else + static CYTHON_INLINE __pyx_t_double_complex __pyx_t_double_complex_from_parts(double x, double y) { + __pyx_t_double_complex z; + z.real = x; + z.imag = y; + return z; + } +#endif + +/* Arithmetic */ + #if CYTHON_CCOMPLEX && (1) && (!0 || __cplusplus) +#else + static CYTHON_INLINE int __Pyx_c_eq_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + return (a.real == b.real) && (a.imag == b.imag); + } + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_sum_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + __pyx_t_double_complex z; + z.real = a.real + b.real; + z.imag = a.imag + b.imag; + return z; + } + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_diff_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + __pyx_t_double_complex z; + z.real = a.real - b.real; + z.imag = a.imag - b.imag; + return z; + } + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_prod_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + __pyx_t_double_complex z; + z.real = a.real * b.real - a.imag * b.imag; + z.imag = a.real * b.imag + a.imag * b.real; + return z; + } + #if 1 + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + if (b.imag == 0) { + return __pyx_t_double_complex_from_parts(a.real / b.real, a.imag / b.real); + } else if (fabs(b.real) >= fabs(b.imag)) { + if (b.real == 0 && b.imag == 0) { + return __pyx_t_double_complex_from_parts(a.real / b.real, a.imag / b.imag); + } else { + double r = b.imag / b.real; + double s = (double)(1.0) / (b.real + b.imag * r); + return __pyx_t_double_complex_from_parts( + (a.real + a.imag * r) * s, (a.imag - a.real * r) * s); + } + } else { + double r = b.real / b.imag; + double s = (double)(1.0) / (b.imag + b.real * r); + return __pyx_t_double_complex_from_parts( + (a.real * r + a.imag) * s, (a.imag * r - a.real) * s); + } + } + #else + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_quot_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + if (b.imag == 0) { + return __pyx_t_double_complex_from_parts(a.real / b.real, a.imag / b.real); + } else { + double denom = b.real * b.real + b.imag * b.imag; + return __pyx_t_double_complex_from_parts( + (a.real * b.real + a.imag * b.imag) / denom, + (a.imag * b.real - a.real * b.imag) / denom); + } + } + #endif + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_neg_double(__pyx_t_double_complex a) { + __pyx_t_double_complex z; + z.real = -a.real; + z.imag = -a.imag; + return z; + } + static CYTHON_INLINE int __Pyx_c_is_zero_double(__pyx_t_double_complex a) { + return (a.real == 0) && (a.imag == 0); + } + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_conj_double(__pyx_t_double_complex a) { + __pyx_t_double_complex z; + z.real = a.real; + z.imag = -a.imag; + return z; + } + #if 1 + static CYTHON_INLINE double __Pyx_c_abs_double(__pyx_t_double_complex z) { + #if !defined(HAVE_HYPOT) || defined(_MSC_VER) + return sqrt(z.real*z.real + z.imag*z.imag); + #else + return hypot(z.real, z.imag); + #endif + } + static CYTHON_INLINE __pyx_t_double_complex __Pyx_c_pow_double(__pyx_t_double_complex a, __pyx_t_double_complex b) { + __pyx_t_double_complex z; + double r, lnr, theta, z_r, z_theta; + if (b.imag == 0 && b.real == (int)b.real) { + if (b.real < 0) { + double denom = a.real * a.real + a.imag * a.imag; + a.real = a.real / denom; + a.imag = -a.imag / denom; + b.real = -b.real; + } + switch ((int)b.real) { + case 0: + z.real = 1; + z.imag = 0; + return z; + case 1: + return a; + case 2: + return __Pyx_c_prod_double(a, a); + case 3: + z = __Pyx_c_prod_double(a, a); + return __Pyx_c_prod_double(z, a); + case 4: + z = __Pyx_c_prod_double(a, a); + return __Pyx_c_prod_double(z, z); + } + } + if (a.imag == 0) { + if (a.real == 0) { + return a; + } else if ((b.imag == 0) && (a.real >= 0)) { + z.real = pow(a.real, b.real); + z.imag = 0; + return z; + } else if (a.real > 0) { + r = a.real; + theta = 0; + } else { + r = -a.real; + theta = atan2(0.0, -1.0); + } + } else { + r = __Pyx_c_abs_double(a); + theta = atan2(a.imag, a.real); + } + lnr = log(r); + z_r = exp(lnr * b.real - theta * b.imag); + z_theta = theta * b.real + lnr * b.imag; + z.real = z_r * cos(z_theta); + z.imag = z_r * sin(z_theta); + return z; + } + #endif +#endif + +/* MemviewSliceCopyTemplate */ + static __Pyx_memviewslice +__pyx_memoryview_copy_new_contig(const __Pyx_memviewslice *from_mvs, + const char *mode, int ndim, + size_t sizeof_dtype, int contig_flag, + int dtype_is_object) +{ + __Pyx_RefNannyDeclarations + int i; + __Pyx_memviewslice new_mvs = { 0, 0, { 0 }, { 0 }, { 0 } }; + struct __pyx_memoryview_obj *from_memview = from_mvs->memview; + Py_buffer *buf = &from_memview->view; + PyObject *shape_tuple = NULL; + PyObject *temp_int = NULL; + struct __pyx_array_obj *array_obj = NULL; + struct __pyx_memoryview_obj *memview_obj = NULL; + __Pyx_RefNannySetupContext("__pyx_memoryview_copy_new_contig", 0); + for (i = 0; i < ndim; i++) { + if (unlikely(from_mvs->suboffsets[i] >= 0)) { + PyErr_Format(PyExc_ValueError, "Cannot copy memoryview slice with " + "indirect dimensions (axis %d)", i); + goto fail; + } + } + shape_tuple = PyTuple_New(ndim); + if (unlikely(!shape_tuple)) { + goto fail; + } + __Pyx_GOTREF(shape_tuple); + for(i = 0; i < ndim; i++) { + temp_int = PyInt_FromSsize_t(from_mvs->shape[i]); + if(unlikely(!temp_int)) { + goto fail; + } else { + PyTuple_SET_ITEM(shape_tuple, i, temp_int); + temp_int = NULL; + } + } + array_obj = __pyx_array_new(shape_tuple, sizeof_dtype, buf->format, (char *) mode, NULL); + if (unlikely(!array_obj)) { + goto fail; + } + __Pyx_GOTREF(array_obj); + memview_obj = (struct __pyx_memoryview_obj *) __pyx_memoryview_new( + (PyObject *) array_obj, contig_flag, + dtype_is_object, + from_mvs->memview->typeinfo); + if (unlikely(!memview_obj)) + goto fail; + if (unlikely(__Pyx_init_memviewslice(memview_obj, ndim, &new_mvs, 1) < 0)) + goto fail; + if (unlikely(__pyx_memoryview_copy_contents(*from_mvs, new_mvs, ndim, ndim, + dtype_is_object) < 0)) + goto fail; + goto no_fail; +fail: + __Pyx_XDECREF(new_mvs.memview); + new_mvs.memview = NULL; + new_mvs.data = NULL; +no_fail: + __Pyx_XDECREF(shape_tuple); + __Pyx_XDECREF(temp_int); + __Pyx_XDECREF(array_obj); + __Pyx_RefNannyFinishContext(); + return new_mvs; +} + +/* MemviewSliceInit */ + static int +__Pyx_init_memviewslice(struct __pyx_memoryview_obj *memview, + int ndim, + __Pyx_memviewslice *memviewslice, + int memview_is_new_reference) +{ + __Pyx_RefNannyDeclarations + int i, retval=-1; + Py_buffer *buf = &memview->view; + __Pyx_RefNannySetupContext("init_memviewslice", 0); + if (unlikely(memviewslice->memview || memviewslice->data)) { + PyErr_SetString(PyExc_ValueError, + "memviewslice is already initialized!"); + goto fail; + } + if (buf->strides) { + for (i = 0; i < ndim; i++) { + memviewslice->strides[i] = buf->strides[i]; + } + } else { + Py_ssize_t stride = buf->itemsize; + for (i = ndim - 1; i >= 0; i--) { + memviewslice->strides[i] = stride; + stride *= buf->shape[i]; + } + } + for (i = 0; i < ndim; i++) { + memviewslice->shape[i] = buf->shape[i]; + if (buf->suboffsets) { + memviewslice->suboffsets[i] = buf->suboffsets[i]; + } else { + memviewslice->suboffsets[i] = -1; + } + } + memviewslice->memview = memview; + memviewslice->data = (char *)buf->buf; + if (__pyx_add_acquisition_count(memview) == 0 && !memview_is_new_reference) { + Py_INCREF(memview); + } + retval = 0; + goto no_fail; +fail: + memviewslice->memview = 0; + memviewslice->data = 0; + retval = -1; +no_fail: + __Pyx_RefNannyFinishContext(); + return retval; +} +#ifndef Py_NO_RETURN +#define Py_NO_RETURN +#endif +static void __pyx_fatalerror(const char *fmt, ...) Py_NO_RETURN { + va_list vargs; + char msg[200]; +#if PY_VERSION_HEX >= 0x030A0000 || defined(HAVE_STDARG_PROTOTYPES) + va_start(vargs, fmt); +#else + va_start(vargs); +#endif + vsnprintf(msg, 200, fmt, vargs); + va_end(vargs); + Py_FatalError(msg); +} +static CYTHON_INLINE int +__pyx_add_acquisition_count_locked(__pyx_atomic_int_type *acquisition_count, + PyThread_type_lock lock) +{ + int result; + PyThread_acquire_lock(lock, 1); + result = (*acquisition_count)++; + PyThread_release_lock(lock); + return result; +} +static CYTHON_INLINE int +__pyx_sub_acquisition_count_locked(__pyx_atomic_int_type *acquisition_count, + PyThread_type_lock lock) +{ + int result; + PyThread_acquire_lock(lock, 1); + result = (*acquisition_count)--; + PyThread_release_lock(lock); + return result; +} +static CYTHON_INLINE void +__Pyx_INC_MEMVIEW(__Pyx_memviewslice *memslice, int have_gil, int lineno) +{ + __pyx_nonatomic_int_type old_acquisition_count; + struct __pyx_memoryview_obj *memview = memslice->memview; + if (unlikely(!memview || (PyObject *) memview == Py_None)) { + return; + } + old_acquisition_count = __pyx_add_acquisition_count(memview); + if (unlikely(old_acquisition_count <= 0)) { + if (likely(old_acquisition_count == 0)) { + if (have_gil) { + Py_INCREF((PyObject *) memview); + } else { + PyGILState_STATE _gilstate = PyGILState_Ensure(); + Py_INCREF((PyObject *) memview); + PyGILState_Release(_gilstate); + } + } else { + __pyx_fatalerror("Acquisition count is %d (line %d)", + old_acquisition_count+1, lineno); + } + } +} +static CYTHON_INLINE void __Pyx_XCLEAR_MEMVIEW(__Pyx_memviewslice *memslice, + int have_gil, int lineno) { + __pyx_nonatomic_int_type old_acquisition_count; + struct __pyx_memoryview_obj *memview = memslice->memview; + if (unlikely(!memview || (PyObject *) memview == Py_None)) { + memslice->memview = NULL; + return; + } + old_acquisition_count = __pyx_sub_acquisition_count(memview); + memslice->data = NULL; + if (likely(old_acquisition_count > 1)) { + memslice->memview = NULL; + } else if (likely(old_acquisition_count == 1)) { + if (have_gil) { + Py_CLEAR(memslice->memview); + } else { + PyGILState_STATE _gilstate = PyGILState_Ensure(); + Py_CLEAR(memslice->memview); + PyGILState_Release(_gilstate); + } + } else { + __pyx_fatalerror("Acquisition count is %d (line %d)", + old_acquisition_count-1, lineno); + } +} + +/* CIntToPy */ + static CYTHON_INLINE PyObject* __Pyx_PyInt_From_int(int value) { +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const int neg_one = (int) -1, const_zero = (int) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; + if (is_unsigned) { + if (sizeof(int) < sizeof(long)) { + return PyInt_FromLong((long) value); + } else if (sizeof(int) <= sizeof(unsigned long)) { + return PyLong_FromUnsignedLong((unsigned long) value); +#ifdef HAVE_LONG_LONG + } else if (sizeof(int) <= sizeof(unsigned PY_LONG_LONG)) { + return PyLong_FromUnsignedLongLong((unsigned PY_LONG_LONG) value); +#endif + } + } else { + if (sizeof(int) <= sizeof(long)) { + return PyInt_FromLong((long) value); +#ifdef HAVE_LONG_LONG + } else if (sizeof(int) <= sizeof(PY_LONG_LONG)) { + return PyLong_FromLongLong((PY_LONG_LONG) value); +#endif + } + } + { + unsigned char *bytes = (unsigned char *)&value; +#if !CYTHON_COMPILING_IN_LIMITED_API && PY_VERSION_HEX >= 0x030d00A4 + if (is_unsigned) { + return PyLong_FromUnsignedNativeBytes(bytes, sizeof(value), -1); + } else { + return PyLong_FromNativeBytes(bytes, sizeof(value), -1); + } +#elif !CYTHON_COMPILING_IN_LIMITED_API && PY_VERSION_HEX < 0x030d0000 + int one = 1; int little = (int)*(unsigned char *)&one; + return _PyLong_FromByteArray(bytes, sizeof(int), + little, !is_unsigned); +#else + int one = 1; int little = (int)*(unsigned char *)&one; + PyObject *from_bytes, *result = NULL; + PyObject *py_bytes = NULL, *arg_tuple = NULL, *kwds = NULL, *order_str = NULL; + from_bytes = PyObject_GetAttrString((PyObject*)&PyLong_Type, "from_bytes"); + if (!from_bytes) return NULL; + py_bytes = PyBytes_FromStringAndSize((char*)bytes, sizeof(int)); + if (!py_bytes) goto limited_bad; + order_str = PyUnicode_FromString(little ? "little" : "big"); + if (!order_str) goto limited_bad; + arg_tuple = PyTuple_Pack(2, py_bytes, order_str); + if (!arg_tuple) goto limited_bad; + if (!is_unsigned) { + kwds = PyDict_New(); + if (!kwds) goto limited_bad; + if (PyDict_SetItemString(kwds, "signed", __Pyx_NewRef(Py_True))) goto limited_bad; + } + result = PyObject_Call(from_bytes, arg_tuple, kwds); + limited_bad: + Py_XDECREF(kwds); + Py_XDECREF(arg_tuple); + Py_XDECREF(order_str); + Py_XDECREF(py_bytes); + Py_XDECREF(from_bytes); + return result; +#endif + } +} + +/* CIntFromPy */ + static CYTHON_INLINE int __Pyx_PyInt_As_int(PyObject *x) { +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const int neg_one = (int) -1, const_zero = (int) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; +#if PY_MAJOR_VERSION < 3 + if (likely(PyInt_Check(x))) { + if ((sizeof(int) < sizeof(long))) { + __PYX_VERIFY_RETURN_INT(int, long, PyInt_AS_LONG(x)) + } else { + long val = PyInt_AS_LONG(x); + if (is_unsigned && unlikely(val < 0)) { + goto raise_neg_overflow; + } + return (int) val; + } + } +#endif + if (unlikely(!PyLong_Check(x))) { + int val; + PyObject *tmp = __Pyx_PyNumber_IntOrLong(x); + if (!tmp) return (int) -1; + val = __Pyx_PyInt_As_int(tmp); + Py_DECREF(tmp); + return val; + } + if (is_unsigned) { +#if CYTHON_USE_PYLONG_INTERNALS + if (unlikely(__Pyx_PyLong_IsNeg(x))) { + goto raise_neg_overflow; + } else if (__Pyx_PyLong_IsCompact(x)) { + __PYX_VERIFY_RETURN_INT(int, __Pyx_compact_upylong, __Pyx_PyLong_CompactValueUnsigned(x)) + } else { + const digit* digits = __Pyx_PyLong_Digits(x); + assert(__Pyx_PyLong_DigitCount(x) > 1); + switch (__Pyx_PyLong_DigitCount(x)) { + case 2: + if ((8 * sizeof(int) > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, unsigned long, (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) >= 2 * PyLong_SHIFT)) { + return (int) (((((int)digits[1]) << PyLong_SHIFT) | (int)digits[0])); + } + } + break; + case 3: + if ((8 * sizeof(int) > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, unsigned long, (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) >= 3 * PyLong_SHIFT)) { + return (int) (((((((int)digits[2]) << PyLong_SHIFT) | (int)digits[1]) << PyLong_SHIFT) | (int)digits[0])); + } + } + break; + case 4: + if ((8 * sizeof(int) > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, unsigned long, (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) >= 4 * PyLong_SHIFT)) { + return (int) (((((((((int)digits[3]) << PyLong_SHIFT) | (int)digits[2]) << PyLong_SHIFT) | (int)digits[1]) << PyLong_SHIFT) | (int)digits[0])); + } + } + break; + } + } +#endif +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX < 0x030C00A7 + if (unlikely(Py_SIZE(x) < 0)) { + goto raise_neg_overflow; + } +#else + { + int result = PyObject_RichCompareBool(x, Py_False, Py_LT); + if (unlikely(result < 0)) + return (int) -1; + if (unlikely(result == 1)) + goto raise_neg_overflow; + } +#endif + if ((sizeof(int) <= sizeof(unsigned long))) { + __PYX_VERIFY_RETURN_INT_EXC(int, unsigned long, PyLong_AsUnsignedLong(x)) +#ifdef HAVE_LONG_LONG + } else if ((sizeof(int) <= sizeof(unsigned PY_LONG_LONG))) { + __PYX_VERIFY_RETURN_INT_EXC(int, unsigned PY_LONG_LONG, PyLong_AsUnsignedLongLong(x)) +#endif + } + } else { +#if CYTHON_USE_PYLONG_INTERNALS + if (__Pyx_PyLong_IsCompact(x)) { + __PYX_VERIFY_RETURN_INT(int, __Pyx_compact_pylong, __Pyx_PyLong_CompactValue(x)) + } else { + const digit* digits = __Pyx_PyLong_Digits(x); + assert(__Pyx_PyLong_DigitCount(x) > 1); + switch (__Pyx_PyLong_SignedDigitCount(x)) { + case -2: + if ((8 * sizeof(int) - 1 > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, long, -(long) (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) - 1 > 2 * PyLong_SHIFT)) { + return (int) (((int)-1)*(((((int)digits[1]) << PyLong_SHIFT) | (int)digits[0]))); + } + } + break; + case 2: + if ((8 * sizeof(int) > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, unsigned long, (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) - 1 > 2 * PyLong_SHIFT)) { + return (int) ((((((int)digits[1]) << PyLong_SHIFT) | (int)digits[0]))); + } + } + break; + case -3: + if ((8 * sizeof(int) - 1 > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, long, -(long) (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) - 1 > 3 * PyLong_SHIFT)) { + return (int) (((int)-1)*(((((((int)digits[2]) << PyLong_SHIFT) | (int)digits[1]) << PyLong_SHIFT) | (int)digits[0]))); + } + } + break; + case 3: + if ((8 * sizeof(int) > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, unsigned long, (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) - 1 > 3 * PyLong_SHIFT)) { + return (int) ((((((((int)digits[2]) << PyLong_SHIFT) | (int)digits[1]) << PyLong_SHIFT) | (int)digits[0]))); + } + } + break; + case -4: + if ((8 * sizeof(int) - 1 > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, long, -(long) (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) - 1 > 4 * PyLong_SHIFT)) { + return (int) (((int)-1)*(((((((((int)digits[3]) << PyLong_SHIFT) | (int)digits[2]) << PyLong_SHIFT) | (int)digits[1]) << PyLong_SHIFT) | (int)digits[0]))); + } + } + break; + case 4: + if ((8 * sizeof(int) > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(int, unsigned long, (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(int) - 1 > 4 * PyLong_SHIFT)) { + return (int) ((((((((((int)digits[3]) << PyLong_SHIFT) | (int)digits[2]) << PyLong_SHIFT) | (int)digits[1]) << PyLong_SHIFT) | (int)digits[0]))); + } + } + break; + } + } +#endif + if ((sizeof(int) <= sizeof(long))) { + __PYX_VERIFY_RETURN_INT_EXC(int, long, PyLong_AsLong(x)) +#ifdef HAVE_LONG_LONG + } else if ((sizeof(int) <= sizeof(PY_LONG_LONG))) { + __PYX_VERIFY_RETURN_INT_EXC(int, PY_LONG_LONG, PyLong_AsLongLong(x)) +#endif + } + } + { + int val; + int ret = -1; +#if PY_VERSION_HEX >= 0x030d00A6 && !CYTHON_COMPILING_IN_LIMITED_API + Py_ssize_t bytes_copied = PyLong_AsNativeBytes( + x, &val, sizeof(val), Py_ASNATIVEBYTES_NATIVE_ENDIAN | (is_unsigned ? Py_ASNATIVEBYTES_UNSIGNED_BUFFER | Py_ASNATIVEBYTES_REJECT_NEGATIVE : 0)); + if (unlikely(bytes_copied == -1)) { + } else if (unlikely(bytes_copied > (Py_ssize_t) sizeof(val))) { + goto raise_overflow; + } else { + ret = 0; + } +#elif PY_VERSION_HEX < 0x030d0000 && !(CYTHON_COMPILING_IN_PYPY || CYTHON_COMPILING_IN_LIMITED_API) || defined(_PyLong_AsByteArray) + int one = 1; int is_little = (int)*(unsigned char *)&one; + unsigned char *bytes = (unsigned char *)&val; + ret = _PyLong_AsByteArray((PyLongObject *)x, + bytes, sizeof(val), + is_little, !is_unsigned); +#else + PyObject *v; + PyObject *stepval = NULL, *mask = NULL, *shift = NULL; + int bits, remaining_bits, is_negative = 0; + int chunk_size = (sizeof(long) < 8) ? 30 : 62; + if (likely(PyLong_CheckExact(x))) { + v = __Pyx_NewRef(x); + } else { + v = PyNumber_Long(x); + if (unlikely(!v)) return (int) -1; + assert(PyLong_CheckExact(v)); + } + { + int result = PyObject_RichCompareBool(v, Py_False, Py_LT); + if (unlikely(result < 0)) { + Py_DECREF(v); + return (int) -1; + } + is_negative = result == 1; + } + if (is_unsigned && unlikely(is_negative)) { + Py_DECREF(v); + goto raise_neg_overflow; + } else if (is_negative) { + stepval = PyNumber_Invert(v); + Py_DECREF(v); + if (unlikely(!stepval)) + return (int) -1; + } else { + stepval = v; + } + v = NULL; + val = (int) 0; + mask = PyLong_FromLong((1L << chunk_size) - 1); if (unlikely(!mask)) goto done; + shift = PyLong_FromLong(chunk_size); if (unlikely(!shift)) goto done; + for (bits = 0; bits < (int) sizeof(int) * 8 - chunk_size; bits += chunk_size) { + PyObject *tmp, *digit; + long idigit; + digit = PyNumber_And(stepval, mask); + if (unlikely(!digit)) goto done; + idigit = PyLong_AsLong(digit); + Py_DECREF(digit); + if (unlikely(idigit < 0)) goto done; + val |= ((int) idigit) << bits; + tmp = PyNumber_Rshift(stepval, shift); + if (unlikely(!tmp)) goto done; + Py_DECREF(stepval); stepval = tmp; + } + Py_DECREF(shift); shift = NULL; + Py_DECREF(mask); mask = NULL; + { + long idigit = PyLong_AsLong(stepval); + if (unlikely(idigit < 0)) goto done; + remaining_bits = ((int) sizeof(int) * 8) - bits - (is_unsigned ? 0 : 1); + if (unlikely(idigit >= (1L << remaining_bits))) + goto raise_overflow; + val |= ((int) idigit) << bits; + } + if (!is_unsigned) { + if (unlikely(val & (((int) 1) << (sizeof(int) * 8 - 1)))) + goto raise_overflow; + if (is_negative) + val = ~val; + } + ret = 0; + done: + Py_XDECREF(shift); + Py_XDECREF(mask); + Py_XDECREF(stepval); +#endif + if (unlikely(ret)) + return (int) -1; + return val; + } +raise_overflow: + PyErr_SetString(PyExc_OverflowError, + "value too large to convert to int"); + return (int) -1; +raise_neg_overflow: + PyErr_SetString(PyExc_OverflowError, + "can't convert negative value to int"); + return (int) -1; +} + +/* CIntFromPy */ + static CYTHON_INLINE long __Pyx_PyInt_As_long(PyObject *x) { +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const long neg_one = (long) -1, const_zero = (long) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; +#if PY_MAJOR_VERSION < 3 + if (likely(PyInt_Check(x))) { + if ((sizeof(long) < sizeof(long))) { + __PYX_VERIFY_RETURN_INT(long, long, PyInt_AS_LONG(x)) + } else { + long val = PyInt_AS_LONG(x); + if (is_unsigned && unlikely(val < 0)) { + goto raise_neg_overflow; + } + return (long) val; + } + } +#endif + if (unlikely(!PyLong_Check(x))) { + long val; + PyObject *tmp = __Pyx_PyNumber_IntOrLong(x); + if (!tmp) return (long) -1; + val = __Pyx_PyInt_As_long(tmp); + Py_DECREF(tmp); + return val; + } + if (is_unsigned) { +#if CYTHON_USE_PYLONG_INTERNALS + if (unlikely(__Pyx_PyLong_IsNeg(x))) { + goto raise_neg_overflow; + } else if (__Pyx_PyLong_IsCompact(x)) { + __PYX_VERIFY_RETURN_INT(long, __Pyx_compact_upylong, __Pyx_PyLong_CompactValueUnsigned(x)) + } else { + const digit* digits = __Pyx_PyLong_Digits(x); + assert(__Pyx_PyLong_DigitCount(x) > 1); + switch (__Pyx_PyLong_DigitCount(x)) { + case 2: + if ((8 * sizeof(long) > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, unsigned long, (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) >= 2 * PyLong_SHIFT)) { + return (long) (((((long)digits[1]) << PyLong_SHIFT) | (long)digits[0])); + } + } + break; + case 3: + if ((8 * sizeof(long) > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, unsigned long, (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) >= 3 * PyLong_SHIFT)) { + return (long) (((((((long)digits[2]) << PyLong_SHIFT) | (long)digits[1]) << PyLong_SHIFT) | (long)digits[0])); + } + } + break; + case 4: + if ((8 * sizeof(long) > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, unsigned long, (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) >= 4 * PyLong_SHIFT)) { + return (long) (((((((((long)digits[3]) << PyLong_SHIFT) | (long)digits[2]) << PyLong_SHIFT) | (long)digits[1]) << PyLong_SHIFT) | (long)digits[0])); + } + } + break; + } + } +#endif +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX < 0x030C00A7 + if (unlikely(Py_SIZE(x) < 0)) { + goto raise_neg_overflow; + } +#else + { + int result = PyObject_RichCompareBool(x, Py_False, Py_LT); + if (unlikely(result < 0)) + return (long) -1; + if (unlikely(result == 1)) + goto raise_neg_overflow; + } +#endif + if ((sizeof(long) <= sizeof(unsigned long))) { + __PYX_VERIFY_RETURN_INT_EXC(long, unsigned long, PyLong_AsUnsignedLong(x)) +#ifdef HAVE_LONG_LONG + } else if ((sizeof(long) <= sizeof(unsigned PY_LONG_LONG))) { + __PYX_VERIFY_RETURN_INT_EXC(long, unsigned PY_LONG_LONG, PyLong_AsUnsignedLongLong(x)) +#endif + } + } else { +#if CYTHON_USE_PYLONG_INTERNALS + if (__Pyx_PyLong_IsCompact(x)) { + __PYX_VERIFY_RETURN_INT(long, __Pyx_compact_pylong, __Pyx_PyLong_CompactValue(x)) + } else { + const digit* digits = __Pyx_PyLong_Digits(x); + assert(__Pyx_PyLong_DigitCount(x) > 1); + switch (__Pyx_PyLong_SignedDigitCount(x)) { + case -2: + if ((8 * sizeof(long) - 1 > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, long, -(long) (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) - 1 > 2 * PyLong_SHIFT)) { + return (long) (((long)-1)*(((((long)digits[1]) << PyLong_SHIFT) | (long)digits[0]))); + } + } + break; + case 2: + if ((8 * sizeof(long) > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, unsigned long, (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) - 1 > 2 * PyLong_SHIFT)) { + return (long) ((((((long)digits[1]) << PyLong_SHIFT) | (long)digits[0]))); + } + } + break; + case -3: + if ((8 * sizeof(long) - 1 > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, long, -(long) (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) - 1 > 3 * PyLong_SHIFT)) { + return (long) (((long)-1)*(((((((long)digits[2]) << PyLong_SHIFT) | (long)digits[1]) << PyLong_SHIFT) | (long)digits[0]))); + } + } + break; + case 3: + if ((8 * sizeof(long) > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, unsigned long, (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) - 1 > 3 * PyLong_SHIFT)) { + return (long) ((((((((long)digits[2]) << PyLong_SHIFT) | (long)digits[1]) << PyLong_SHIFT) | (long)digits[0]))); + } + } + break; + case -4: + if ((8 * sizeof(long) - 1 > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, long, -(long) (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) - 1 > 4 * PyLong_SHIFT)) { + return (long) (((long)-1)*(((((((((long)digits[3]) << PyLong_SHIFT) | (long)digits[2]) << PyLong_SHIFT) | (long)digits[1]) << PyLong_SHIFT) | (long)digits[0]))); + } + } + break; + case 4: + if ((8 * sizeof(long) > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(long, unsigned long, (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(long) - 1 > 4 * PyLong_SHIFT)) { + return (long) ((((((((((long)digits[3]) << PyLong_SHIFT) | (long)digits[2]) << PyLong_SHIFT) | (long)digits[1]) << PyLong_SHIFT) | (long)digits[0]))); + } + } + break; + } + } +#endif + if ((sizeof(long) <= sizeof(long))) { + __PYX_VERIFY_RETURN_INT_EXC(long, long, PyLong_AsLong(x)) +#ifdef HAVE_LONG_LONG + } else if ((sizeof(long) <= sizeof(PY_LONG_LONG))) { + __PYX_VERIFY_RETURN_INT_EXC(long, PY_LONG_LONG, PyLong_AsLongLong(x)) +#endif + } + } + { + long val; + int ret = -1; +#if PY_VERSION_HEX >= 0x030d00A6 && !CYTHON_COMPILING_IN_LIMITED_API + Py_ssize_t bytes_copied = PyLong_AsNativeBytes( + x, &val, sizeof(val), Py_ASNATIVEBYTES_NATIVE_ENDIAN | (is_unsigned ? Py_ASNATIVEBYTES_UNSIGNED_BUFFER | Py_ASNATIVEBYTES_REJECT_NEGATIVE : 0)); + if (unlikely(bytes_copied == -1)) { + } else if (unlikely(bytes_copied > (Py_ssize_t) sizeof(val))) { + goto raise_overflow; + } else { + ret = 0; + } +#elif PY_VERSION_HEX < 0x030d0000 && !(CYTHON_COMPILING_IN_PYPY || CYTHON_COMPILING_IN_LIMITED_API) || defined(_PyLong_AsByteArray) + int one = 1; int is_little = (int)*(unsigned char *)&one; + unsigned char *bytes = (unsigned char *)&val; + ret = _PyLong_AsByteArray((PyLongObject *)x, + bytes, sizeof(val), + is_little, !is_unsigned); +#else + PyObject *v; + PyObject *stepval = NULL, *mask = NULL, *shift = NULL; + int bits, remaining_bits, is_negative = 0; + int chunk_size = (sizeof(long) < 8) ? 30 : 62; + if (likely(PyLong_CheckExact(x))) { + v = __Pyx_NewRef(x); + } else { + v = PyNumber_Long(x); + if (unlikely(!v)) return (long) -1; + assert(PyLong_CheckExact(v)); + } + { + int result = PyObject_RichCompareBool(v, Py_False, Py_LT); + if (unlikely(result < 0)) { + Py_DECREF(v); + return (long) -1; + } + is_negative = result == 1; + } + if (is_unsigned && unlikely(is_negative)) { + Py_DECREF(v); + goto raise_neg_overflow; + } else if (is_negative) { + stepval = PyNumber_Invert(v); + Py_DECREF(v); + if (unlikely(!stepval)) + return (long) -1; + } else { + stepval = v; + } + v = NULL; + val = (long) 0; + mask = PyLong_FromLong((1L << chunk_size) - 1); if (unlikely(!mask)) goto done; + shift = PyLong_FromLong(chunk_size); if (unlikely(!shift)) goto done; + for (bits = 0; bits < (int) sizeof(long) * 8 - chunk_size; bits += chunk_size) { + PyObject *tmp, *digit; + long idigit; + digit = PyNumber_And(stepval, mask); + if (unlikely(!digit)) goto done; + idigit = PyLong_AsLong(digit); + Py_DECREF(digit); + if (unlikely(idigit < 0)) goto done; + val |= ((long) idigit) << bits; + tmp = PyNumber_Rshift(stepval, shift); + if (unlikely(!tmp)) goto done; + Py_DECREF(stepval); stepval = tmp; + } + Py_DECREF(shift); shift = NULL; + Py_DECREF(mask); mask = NULL; + { + long idigit = PyLong_AsLong(stepval); + if (unlikely(idigit < 0)) goto done; + remaining_bits = ((int) sizeof(long) * 8) - bits - (is_unsigned ? 0 : 1); + if (unlikely(idigit >= (1L << remaining_bits))) + goto raise_overflow; + val |= ((long) idigit) << bits; + } + if (!is_unsigned) { + if (unlikely(val & (((long) 1) << (sizeof(long) * 8 - 1)))) + goto raise_overflow; + if (is_negative) + val = ~val; + } + ret = 0; + done: + Py_XDECREF(shift); + Py_XDECREF(mask); + Py_XDECREF(stepval); +#endif + if (unlikely(ret)) + return (long) -1; + return val; + } +raise_overflow: + PyErr_SetString(PyExc_OverflowError, + "value too large to convert to long"); + return (long) -1; +raise_neg_overflow: + PyErr_SetString(PyExc_OverflowError, + "can't convert negative value to long"); + return (long) -1; +} + +/* CIntToPy */ + static CYTHON_INLINE PyObject* __Pyx_PyInt_From_long(long value) { +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const long neg_one = (long) -1, const_zero = (long) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; + if (is_unsigned) { + if (sizeof(long) < sizeof(long)) { + return PyInt_FromLong((long) value); + } else if (sizeof(long) <= sizeof(unsigned long)) { + return PyLong_FromUnsignedLong((unsigned long) value); +#ifdef HAVE_LONG_LONG + } else if (sizeof(long) <= sizeof(unsigned PY_LONG_LONG)) { + return PyLong_FromUnsignedLongLong((unsigned PY_LONG_LONG) value); +#endif + } + } else { + if (sizeof(long) <= sizeof(long)) { + return PyInt_FromLong((long) value); +#ifdef HAVE_LONG_LONG + } else if (sizeof(long) <= sizeof(PY_LONG_LONG)) { + return PyLong_FromLongLong((PY_LONG_LONG) value); +#endif + } + } + { + unsigned char *bytes = (unsigned char *)&value; +#if !CYTHON_COMPILING_IN_LIMITED_API && PY_VERSION_HEX >= 0x030d00A4 + if (is_unsigned) { + return PyLong_FromUnsignedNativeBytes(bytes, sizeof(value), -1); + } else { + return PyLong_FromNativeBytes(bytes, sizeof(value), -1); + } +#elif !CYTHON_COMPILING_IN_LIMITED_API && PY_VERSION_HEX < 0x030d0000 + int one = 1; int little = (int)*(unsigned char *)&one; + return _PyLong_FromByteArray(bytes, sizeof(long), + little, !is_unsigned); +#else + int one = 1; int little = (int)*(unsigned char *)&one; + PyObject *from_bytes, *result = NULL; + PyObject *py_bytes = NULL, *arg_tuple = NULL, *kwds = NULL, *order_str = NULL; + from_bytes = PyObject_GetAttrString((PyObject*)&PyLong_Type, "from_bytes"); + if (!from_bytes) return NULL; + py_bytes = PyBytes_FromStringAndSize((char*)bytes, sizeof(long)); + if (!py_bytes) goto limited_bad; + order_str = PyUnicode_FromString(little ? "little" : "big"); + if (!order_str) goto limited_bad; + arg_tuple = PyTuple_Pack(2, py_bytes, order_str); + if (!arg_tuple) goto limited_bad; + if (!is_unsigned) { + kwds = PyDict_New(); + if (!kwds) goto limited_bad; + if (PyDict_SetItemString(kwds, "signed", __Pyx_NewRef(Py_True))) goto limited_bad; + } + result = PyObject_Call(from_bytes, arg_tuple, kwds); + limited_bad: + Py_XDECREF(kwds); + Py_XDECREF(arg_tuple); + Py_XDECREF(order_str); + Py_XDECREF(py_bytes); + Py_XDECREF(from_bytes); + return result; +#endif + } +} + +/* CIntFromPy */ + static CYTHON_INLINE char __Pyx_PyInt_As_char(PyObject *x) { +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic push +#pragma GCC diagnostic ignored "-Wconversion" +#endif + const char neg_one = (char) -1, const_zero = (char) 0; +#ifdef __Pyx_HAS_GCC_DIAGNOSTIC +#pragma GCC diagnostic pop +#endif + const int is_unsigned = neg_one > const_zero; +#if PY_MAJOR_VERSION < 3 + if (likely(PyInt_Check(x))) { + if ((sizeof(char) < sizeof(long))) { + __PYX_VERIFY_RETURN_INT(char, long, PyInt_AS_LONG(x)) + } else { + long val = PyInt_AS_LONG(x); + if (is_unsigned && unlikely(val < 0)) { + goto raise_neg_overflow; + } + return (char) val; + } + } +#endif + if (unlikely(!PyLong_Check(x))) { + char val; + PyObject *tmp = __Pyx_PyNumber_IntOrLong(x); + if (!tmp) return (char) -1; + val = __Pyx_PyInt_As_char(tmp); + Py_DECREF(tmp); + return val; + } + if (is_unsigned) { +#if CYTHON_USE_PYLONG_INTERNALS + if (unlikely(__Pyx_PyLong_IsNeg(x))) { + goto raise_neg_overflow; + } else if (__Pyx_PyLong_IsCompact(x)) { + __PYX_VERIFY_RETURN_INT(char, __Pyx_compact_upylong, __Pyx_PyLong_CompactValueUnsigned(x)) + } else { + const digit* digits = __Pyx_PyLong_Digits(x); + assert(__Pyx_PyLong_DigitCount(x) > 1); + switch (__Pyx_PyLong_DigitCount(x)) { + case 2: + if ((8 * sizeof(char) > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, unsigned long, (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) >= 2 * PyLong_SHIFT)) { + return (char) (((((char)digits[1]) << PyLong_SHIFT) | (char)digits[0])); + } + } + break; + case 3: + if ((8 * sizeof(char) > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, unsigned long, (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) >= 3 * PyLong_SHIFT)) { + return (char) (((((((char)digits[2]) << PyLong_SHIFT) | (char)digits[1]) << PyLong_SHIFT) | (char)digits[0])); + } + } + break; + case 4: + if ((8 * sizeof(char) > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, unsigned long, (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) >= 4 * PyLong_SHIFT)) { + return (char) (((((((((char)digits[3]) << PyLong_SHIFT) | (char)digits[2]) << PyLong_SHIFT) | (char)digits[1]) << PyLong_SHIFT) | (char)digits[0])); + } + } + break; + } + } +#endif +#if CYTHON_COMPILING_IN_CPYTHON && PY_VERSION_HEX < 0x030C00A7 + if (unlikely(Py_SIZE(x) < 0)) { + goto raise_neg_overflow; + } +#else + { + int result = PyObject_RichCompareBool(x, Py_False, Py_LT); + if (unlikely(result < 0)) + return (char) -1; + if (unlikely(result == 1)) + goto raise_neg_overflow; + } +#endif + if ((sizeof(char) <= sizeof(unsigned long))) { + __PYX_VERIFY_RETURN_INT_EXC(char, unsigned long, PyLong_AsUnsignedLong(x)) +#ifdef HAVE_LONG_LONG + } else if ((sizeof(char) <= sizeof(unsigned PY_LONG_LONG))) { + __PYX_VERIFY_RETURN_INT_EXC(char, unsigned PY_LONG_LONG, PyLong_AsUnsignedLongLong(x)) +#endif + } + } else { +#if CYTHON_USE_PYLONG_INTERNALS + if (__Pyx_PyLong_IsCompact(x)) { + __PYX_VERIFY_RETURN_INT(char, __Pyx_compact_pylong, __Pyx_PyLong_CompactValue(x)) + } else { + const digit* digits = __Pyx_PyLong_Digits(x); + assert(__Pyx_PyLong_DigitCount(x) > 1); + switch (__Pyx_PyLong_SignedDigitCount(x)) { + case -2: + if ((8 * sizeof(char) - 1 > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, long, -(long) (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) - 1 > 2 * PyLong_SHIFT)) { + return (char) (((char)-1)*(((((char)digits[1]) << PyLong_SHIFT) | (char)digits[0]))); + } + } + break; + case 2: + if ((8 * sizeof(char) > 1 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 2 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, unsigned long, (((((unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) - 1 > 2 * PyLong_SHIFT)) { + return (char) ((((((char)digits[1]) << PyLong_SHIFT) | (char)digits[0]))); + } + } + break; + case -3: + if ((8 * sizeof(char) - 1 > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, long, -(long) (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) - 1 > 3 * PyLong_SHIFT)) { + return (char) (((char)-1)*(((((((char)digits[2]) << PyLong_SHIFT) | (char)digits[1]) << PyLong_SHIFT) | (char)digits[0]))); + } + } + break; + case 3: + if ((8 * sizeof(char) > 2 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 3 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, unsigned long, (((((((unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) - 1 > 3 * PyLong_SHIFT)) { + return (char) ((((((((char)digits[2]) << PyLong_SHIFT) | (char)digits[1]) << PyLong_SHIFT) | (char)digits[0]))); + } + } + break; + case -4: + if ((8 * sizeof(char) - 1 > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, long, -(long) (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) - 1 > 4 * PyLong_SHIFT)) { + return (char) (((char)-1)*(((((((((char)digits[3]) << PyLong_SHIFT) | (char)digits[2]) << PyLong_SHIFT) | (char)digits[1]) << PyLong_SHIFT) | (char)digits[0]))); + } + } + break; + case 4: + if ((8 * sizeof(char) > 3 * PyLong_SHIFT)) { + if ((8 * sizeof(unsigned long) > 4 * PyLong_SHIFT)) { + __PYX_VERIFY_RETURN_INT(char, unsigned long, (((((((((unsigned long)digits[3]) << PyLong_SHIFT) | (unsigned long)digits[2]) << PyLong_SHIFT) | (unsigned long)digits[1]) << PyLong_SHIFT) | (unsigned long)digits[0]))) + } else if ((8 * sizeof(char) - 1 > 4 * PyLong_SHIFT)) { + return (char) ((((((((((char)digits[3]) << PyLong_SHIFT) | (char)digits[2]) << PyLong_SHIFT) | (char)digits[1]) << PyLong_SHIFT) | (char)digits[0]))); + } + } + break; + } + } +#endif + if ((sizeof(char) <= sizeof(long))) { + __PYX_VERIFY_RETURN_INT_EXC(char, long, PyLong_AsLong(x)) +#ifdef HAVE_LONG_LONG + } else if ((sizeof(char) <= sizeof(PY_LONG_LONG))) { + __PYX_VERIFY_RETURN_INT_EXC(char, PY_LONG_LONG, PyLong_AsLongLong(x)) +#endif + } + } + { + char val; + int ret = -1; +#if PY_VERSION_HEX >= 0x030d00A6 && !CYTHON_COMPILING_IN_LIMITED_API + Py_ssize_t bytes_copied = PyLong_AsNativeBytes( + x, &val, sizeof(val), Py_ASNATIVEBYTES_NATIVE_ENDIAN | (is_unsigned ? Py_ASNATIVEBYTES_UNSIGNED_BUFFER | Py_ASNATIVEBYTES_REJECT_NEGATIVE : 0)); + if (unlikely(bytes_copied == -1)) { + } else if (unlikely(bytes_copied > (Py_ssize_t) sizeof(val))) { + goto raise_overflow; + } else { + ret = 0; + } +#elif PY_VERSION_HEX < 0x030d0000 && !(CYTHON_COMPILING_IN_PYPY || CYTHON_COMPILING_IN_LIMITED_API) || defined(_PyLong_AsByteArray) + int one = 1; int is_little = (int)*(unsigned char *)&one; + unsigned char *bytes = (unsigned char *)&val; + ret = _PyLong_AsByteArray((PyLongObject *)x, + bytes, sizeof(val), + is_little, !is_unsigned); +#else + PyObject *v; + PyObject *stepval = NULL, *mask = NULL, *shift = NULL; + int bits, remaining_bits, is_negative = 0; + int chunk_size = (sizeof(long) < 8) ? 30 : 62; + if (likely(PyLong_CheckExact(x))) { + v = __Pyx_NewRef(x); + } else { + v = PyNumber_Long(x); + if (unlikely(!v)) return (char) -1; + assert(PyLong_CheckExact(v)); + } + { + int result = PyObject_RichCompareBool(v, Py_False, Py_LT); + if (unlikely(result < 0)) { + Py_DECREF(v); + return (char) -1; + } + is_negative = result == 1; + } + if (is_unsigned && unlikely(is_negative)) { + Py_DECREF(v); + goto raise_neg_overflow; + } else if (is_negative) { + stepval = PyNumber_Invert(v); + Py_DECREF(v); + if (unlikely(!stepval)) + return (char) -1; + } else { + stepval = v; + } + v = NULL; + val = (char) 0; + mask = PyLong_FromLong((1L << chunk_size) - 1); if (unlikely(!mask)) goto done; + shift = PyLong_FromLong(chunk_size); if (unlikely(!shift)) goto done; + for (bits = 0; bits < (int) sizeof(char) * 8 - chunk_size; bits += chunk_size) { + PyObject *tmp, *digit; + long idigit; + digit = PyNumber_And(stepval, mask); + if (unlikely(!digit)) goto done; + idigit = PyLong_AsLong(digit); + Py_DECREF(digit); + if (unlikely(idigit < 0)) goto done; + val |= ((char) idigit) << bits; + tmp = PyNumber_Rshift(stepval, shift); + if (unlikely(!tmp)) goto done; + Py_DECREF(stepval); stepval = tmp; + } + Py_DECREF(shift); shift = NULL; + Py_DECREF(mask); mask = NULL; + { + long idigit = PyLong_AsLong(stepval); + if (unlikely(idigit < 0)) goto done; + remaining_bits = ((int) sizeof(char) * 8) - bits - (is_unsigned ? 0 : 1); + if (unlikely(idigit >= (1L << remaining_bits))) + goto raise_overflow; + val |= ((char) idigit) << bits; + } + if (!is_unsigned) { + if (unlikely(val & (((char) 1) << (sizeof(char) * 8 - 1)))) + goto raise_overflow; + if (is_negative) + val = ~val; + } + ret = 0; + done: + Py_XDECREF(shift); + Py_XDECREF(mask); + Py_XDECREF(stepval); +#endif + if (unlikely(ret)) + return (char) -1; + return val; + } +raise_overflow: + PyErr_SetString(PyExc_OverflowError, + "value too large to convert to char"); + return (char) -1; +raise_neg_overflow: + PyErr_SetString(PyExc_OverflowError, + "can't convert negative value to char"); + return (char) -1; +} + +/* FormatTypeName */ + #if CYTHON_COMPILING_IN_LIMITED_API +static __Pyx_TypeName +__Pyx_PyType_GetName(PyTypeObject* tp) +{ + PyObject *name = __Pyx_PyObject_GetAttrStr((PyObject *)tp, + __pyx_n_s_name_2); + if (unlikely(name == NULL) || unlikely(!PyUnicode_Check(name))) { + PyErr_Clear(); + Py_XDECREF(name); + name = __Pyx_NewRef(__pyx_n_s__26); + } + return name; +} +#endif + +/* CheckBinaryVersion */ + static unsigned long __Pyx_get_runtime_version(void) { +#if __PYX_LIMITED_VERSION_HEX >= 0x030B00A4 + return Py_Version & ~0xFFUL; +#else + const char* rt_version = Py_GetVersion(); + unsigned long version = 0; + unsigned long factor = 0x01000000UL; + unsigned int digit = 0; + int i = 0; + while (factor) { + while ('0' <= rt_version[i] && rt_version[i] <= '9') { + digit = digit * 10 + (unsigned int) (rt_version[i] - '0'); + ++i; + } + version += factor * digit; + if (rt_version[i] != '.') + break; + digit = 0; + factor >>= 8; + ++i; + } + return version; +#endif +} +static int __Pyx_check_binary_version(unsigned long ct_version, unsigned long rt_version, int allow_newer) { + const unsigned long MAJOR_MINOR = 0xFFFF0000UL; + if ((rt_version & MAJOR_MINOR) == (ct_version & MAJOR_MINOR)) + return 0; + if (likely(allow_newer && (rt_version & MAJOR_MINOR) > (ct_version & MAJOR_MINOR))) + return 1; + { + char message[200]; + PyOS_snprintf(message, sizeof(message), + "compile time Python version %d.%d " + "of module '%.100s' " + "%s " + "runtime version %d.%d", + (int) (ct_version >> 24), (int) ((ct_version >> 16) & 0xFF), + __Pyx_MODULE_NAME, + (allow_newer) ? "was newer than" : "does not match", + (int) (rt_version >> 24), (int) ((rt_version >> 16) & 0xFF) + ); + return PyErr_WarnEx(NULL, message, 1); + } +} + +/* InitStrings */ + #if PY_MAJOR_VERSION >= 3 +static int __Pyx_InitString(__Pyx_StringTabEntry t, PyObject **str) { + if (t.is_unicode | t.is_str) { + if (t.intern) { + *str = PyUnicode_InternFromString(t.s); + } else if (t.encoding) { + *str = PyUnicode_Decode(t.s, t.n - 1, t.encoding, NULL); + } else { + *str = PyUnicode_FromStringAndSize(t.s, t.n - 1); + } + } else { + *str = PyBytes_FromStringAndSize(t.s, t.n - 1); + } + if (!*str) + return -1; + if (PyObject_Hash(*str) == -1) + return -1; + return 0; +} +#endif +static int __Pyx_InitStrings(__Pyx_StringTabEntry *t) { + while (t->p) { + #if PY_MAJOR_VERSION >= 3 + __Pyx_InitString(*t, t->p); + #else + if (t->is_unicode) { + *t->p = PyUnicode_DecodeUTF8(t->s, t->n - 1, NULL); + } else if (t->intern) { + *t->p = PyString_InternFromString(t->s); + } else { + *t->p = PyString_FromStringAndSize(t->s, t->n - 1); + } + if (!*t->p) + return -1; + if (PyObject_Hash(*t->p) == -1) + return -1; + #endif + ++t; + } + return 0; +} + +#include +static CYTHON_INLINE Py_ssize_t __Pyx_ssize_strlen(const char *s) { + size_t len = strlen(s); + if (unlikely(len > (size_t) PY_SSIZE_T_MAX)) { + PyErr_SetString(PyExc_OverflowError, "byte string is too long"); + return -1; + } + return (Py_ssize_t) len; +} +static CYTHON_INLINE PyObject* __Pyx_PyUnicode_FromString(const char* c_str) { + Py_ssize_t len = __Pyx_ssize_strlen(c_str); + if (unlikely(len < 0)) return NULL; + return __Pyx_PyUnicode_FromStringAndSize(c_str, len); +} +static CYTHON_INLINE PyObject* __Pyx_PyByteArray_FromString(const char* c_str) { + Py_ssize_t len = __Pyx_ssize_strlen(c_str); + if (unlikely(len < 0)) return NULL; + return PyByteArray_FromStringAndSize(c_str, len); +} +static CYTHON_INLINE const char* __Pyx_PyObject_AsString(PyObject* o) { + Py_ssize_t ignore; + return __Pyx_PyObject_AsStringAndSize(o, &ignore); +} +#if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT +#if !CYTHON_PEP393_ENABLED +static const char* __Pyx_PyUnicode_AsStringAndSize(PyObject* o, Py_ssize_t *length) { + char* defenc_c; + PyObject* defenc = _PyUnicode_AsDefaultEncodedString(o, NULL); + if (!defenc) return NULL; + defenc_c = PyBytes_AS_STRING(defenc); +#if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII + { + char* end = defenc_c + PyBytes_GET_SIZE(defenc); + char* c; + for (c = defenc_c; c < end; c++) { + if ((unsigned char) (*c) >= 128) { + PyUnicode_AsASCIIString(o); + return NULL; + } + } + } +#endif + *length = PyBytes_GET_SIZE(defenc); + return defenc_c; +} +#else +static CYTHON_INLINE const char* __Pyx_PyUnicode_AsStringAndSize(PyObject* o, Py_ssize_t *length) { + if (unlikely(__Pyx_PyUnicode_READY(o) == -1)) return NULL; +#if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII + if (likely(PyUnicode_IS_ASCII(o))) { + *length = PyUnicode_GET_LENGTH(o); + return PyUnicode_AsUTF8(o); + } else { + PyUnicode_AsASCIIString(o); + return NULL; + } +#else + return PyUnicode_AsUTF8AndSize(o, length); +#endif +} +#endif +#endif +static CYTHON_INLINE const char* __Pyx_PyObject_AsStringAndSize(PyObject* o, Py_ssize_t *length) { +#if __PYX_DEFAULT_STRING_ENCODING_IS_ASCII || __PYX_DEFAULT_STRING_ENCODING_IS_DEFAULT + if ( +#if PY_MAJOR_VERSION < 3 && __PYX_DEFAULT_STRING_ENCODING_IS_ASCII + __Pyx_sys_getdefaultencoding_not_ascii && +#endif + PyUnicode_Check(o)) { + return __Pyx_PyUnicode_AsStringAndSize(o, length); + } else +#endif +#if (!CYTHON_COMPILING_IN_PYPY && !CYTHON_COMPILING_IN_LIMITED_API) || (defined(PyByteArray_AS_STRING) && defined(PyByteArray_GET_SIZE)) + if (PyByteArray_Check(o)) { + *length = PyByteArray_GET_SIZE(o); + return PyByteArray_AS_STRING(o); + } else +#endif + { + char* result; + int r = PyBytes_AsStringAndSize(o, &result, length); + if (unlikely(r < 0)) { + return NULL; + } else { + return result; + } + } +} +static CYTHON_INLINE int __Pyx_PyObject_IsTrue(PyObject* x) { + int is_true = x == Py_True; + if (is_true | (x == Py_False) | (x == Py_None)) return is_true; + else return PyObject_IsTrue(x); +} +static CYTHON_INLINE int __Pyx_PyObject_IsTrueAndDecref(PyObject* x) { + int retval; + if (unlikely(!x)) return -1; + retval = __Pyx_PyObject_IsTrue(x); + Py_DECREF(x); + return retval; +} +static PyObject* __Pyx_PyNumber_IntOrLongWrongResultType(PyObject* result, const char* type_name) { + __Pyx_TypeName result_type_name = __Pyx_PyType_GetName(Py_TYPE(result)); +#if PY_MAJOR_VERSION >= 3 + if (PyLong_Check(result)) { + if (PyErr_WarnFormat(PyExc_DeprecationWarning, 1, + "__int__ returned non-int (type " __Pyx_FMT_TYPENAME "). " + "The ability to return an instance of a strict subclass of int is deprecated, " + "and may be removed in a future version of Python.", + result_type_name)) { + __Pyx_DECREF_TypeName(result_type_name); + Py_DECREF(result); + return NULL; + } + __Pyx_DECREF_TypeName(result_type_name); + return result; + } +#endif + PyErr_Format(PyExc_TypeError, + "__%.4s__ returned non-%.4s (type " __Pyx_FMT_TYPENAME ")", + type_name, type_name, result_type_name); + __Pyx_DECREF_TypeName(result_type_name); + Py_DECREF(result); + return NULL; +} +static CYTHON_INLINE PyObject* __Pyx_PyNumber_IntOrLong(PyObject* x) { +#if CYTHON_USE_TYPE_SLOTS + PyNumberMethods *m; +#endif + const char *name = NULL; + PyObject *res = NULL; +#if PY_MAJOR_VERSION < 3 + if (likely(PyInt_Check(x) || PyLong_Check(x))) +#else + if (likely(PyLong_Check(x))) +#endif + return __Pyx_NewRef(x); +#if CYTHON_USE_TYPE_SLOTS + m = Py_TYPE(x)->tp_as_number; + #if PY_MAJOR_VERSION < 3 + if (m && m->nb_int) { + name = "int"; + res = m->nb_int(x); + } + else if (m && m->nb_long) { + name = "long"; + res = m->nb_long(x); + } + #else + if (likely(m && m->nb_int)) { + name = "int"; + res = m->nb_int(x); + } + #endif +#else + if (!PyBytes_CheckExact(x) && !PyUnicode_CheckExact(x)) { + res = PyNumber_Int(x); + } +#endif + if (likely(res)) { +#if PY_MAJOR_VERSION < 3 + if (unlikely(!PyInt_Check(res) && !PyLong_Check(res))) { +#else + if (unlikely(!PyLong_CheckExact(res))) { +#endif + return __Pyx_PyNumber_IntOrLongWrongResultType(res, name); + } + } + else if (!PyErr_Occurred()) { + PyErr_SetString(PyExc_TypeError, + "an integer is required"); + } + return res; +} +static CYTHON_INLINE Py_ssize_t __Pyx_PyIndex_AsSsize_t(PyObject* b) { + Py_ssize_t ival; + PyObject *x; +#if PY_MAJOR_VERSION < 3 + if (likely(PyInt_CheckExact(b))) { + if (sizeof(Py_ssize_t) >= sizeof(long)) + return PyInt_AS_LONG(b); + else + return PyInt_AsSsize_t(b); + } +#endif + if (likely(PyLong_CheckExact(b))) { + #if CYTHON_USE_PYLONG_INTERNALS + if (likely(__Pyx_PyLong_IsCompact(b))) { + return __Pyx_PyLong_CompactValue(b); + } else { + const digit* digits = __Pyx_PyLong_Digits(b); + const Py_ssize_t size = __Pyx_PyLong_SignedDigitCount(b); + switch (size) { + case 2: + if (8 * sizeof(Py_ssize_t) > 2 * PyLong_SHIFT) { + return (Py_ssize_t) (((((size_t)digits[1]) << PyLong_SHIFT) | (size_t)digits[0])); + } + break; + case -2: + if (8 * sizeof(Py_ssize_t) > 2 * PyLong_SHIFT) { + return -(Py_ssize_t) (((((size_t)digits[1]) << PyLong_SHIFT) | (size_t)digits[0])); + } + break; + case 3: + if (8 * sizeof(Py_ssize_t) > 3 * PyLong_SHIFT) { + return (Py_ssize_t) (((((((size_t)digits[2]) << PyLong_SHIFT) | (size_t)digits[1]) << PyLong_SHIFT) | (size_t)digits[0])); + } + break; + case -3: + if (8 * sizeof(Py_ssize_t) > 3 * PyLong_SHIFT) { + return -(Py_ssize_t) (((((((size_t)digits[2]) << PyLong_SHIFT) | (size_t)digits[1]) << PyLong_SHIFT) | (size_t)digits[0])); + } + break; + case 4: + if (8 * sizeof(Py_ssize_t) > 4 * PyLong_SHIFT) { + return (Py_ssize_t) (((((((((size_t)digits[3]) << PyLong_SHIFT) | (size_t)digits[2]) << PyLong_SHIFT) | (size_t)digits[1]) << PyLong_SHIFT) | (size_t)digits[0])); + } + break; + case -4: + if (8 * sizeof(Py_ssize_t) > 4 * PyLong_SHIFT) { + return -(Py_ssize_t) (((((((((size_t)digits[3]) << PyLong_SHIFT) | (size_t)digits[2]) << PyLong_SHIFT) | (size_t)digits[1]) << PyLong_SHIFT) | (size_t)digits[0])); + } + break; + } + } + #endif + return PyLong_AsSsize_t(b); + } + x = PyNumber_Index(b); + if (!x) return -1; + ival = PyInt_AsSsize_t(x); + Py_DECREF(x); + return ival; +} +static CYTHON_INLINE Py_hash_t __Pyx_PyIndex_AsHash_t(PyObject* o) { + if (sizeof(Py_hash_t) == sizeof(Py_ssize_t)) { + return (Py_hash_t) __Pyx_PyIndex_AsSsize_t(o); +#if PY_MAJOR_VERSION < 3 + } else if (likely(PyInt_CheckExact(o))) { + return PyInt_AS_LONG(o); +#endif + } else { + Py_ssize_t ival; + PyObject *x; + x = PyNumber_Index(o); + if (!x) return -1; + ival = PyInt_AsLong(x); + Py_DECREF(x); + return ival; + } +} +static CYTHON_INLINE PyObject * __Pyx_PyBool_FromLong(long b) { + return b ? __Pyx_NewRef(Py_True) : __Pyx_NewRef(Py_False); +} +static CYTHON_INLINE PyObject * __Pyx_PyInt_FromSize_t(size_t ival) { + return PyInt_FromSize_t(ival); +} + + +/* #### Code section: utility_code_pragmas_end ### */ +#ifdef _MSC_VER +#pragma warning( pop ) +#endif + + + +/* #### Code section: end ### */ +#endif /* Py_PYTHON_H */ diff --git a/benchmarks/FoldBench/evaluation/DockQv2/operations.cp310-win_amd64.pyd b/benchmarks/FoldBench/evaluation/DockQv2/operations.cp310-win_amd64.pyd new file mode 100644 index 0000000000000000000000000000000000000000..a9fcadc31976291a2b6018f171c579c59db76427 --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/operations.cp310-win_amd64.pyd @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:93e69051eb85419fcabd1e4bf340b5aa0827f76090afcaf37a1e51f10aea1e15 +size 155648 diff --git a/benchmarks/FoldBench/evaluation/DockQv2/operations.pyx b/benchmarks/FoldBench/evaluation/DockQv2/operations.pyx new file mode 100644 index 0000000000000000000000000000000000000000..282d8a91547fc1bf87ff782821c9bf154189bece --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/operations.pyx @@ -0,0 +1,70 @@ +#cython: language_level=3 +import numpy as np +cimport numpy as np +import cython + +@cython.boundscheck(False) +@cython.wraparound(False) +def residue_distances(float [:,:] atom_coordinates1, float [:,:] atom_coordinates2, long [:] atoms_per_res1, long [:] atoms_per_res2): + cdef: + int i, j, x, y, i_atoms, j_atoms, cum_i_atoms, cum_j_atoms, cum_i_atoms_end, cum_j_atoms_end + int n_res_i = atoms_per_res1.shape[0] + int n_res_j = atoms_per_res2.shape[0] + float this_d, min_d + float [:,:] res_distances = np.zeros((n_res_i, n_res_j), dtype=np.float32) + + cum_i_atoms = 0 + for i in range(n_res_i): + i_atoms = atoms_per_res1[i] + cum_i_atoms_end = cum_i_atoms + i_atoms + cum_j_atoms = 0 + for j in range(n_res_j): + j_atoms = atoms_per_res2[j] + min_d = 100000.0 + cum_j_atoms_end = cum_j_atoms + j_atoms + for x in range(cum_i_atoms, cum_i_atoms_end): + for y in range(cum_j_atoms, cum_j_atoms_end): + this_d = (atom_coordinates1[x][0] - atom_coordinates2[y][0])**2 + (atom_coordinates1[x][1] - atom_coordinates2[y][1])**2 + (atom_coordinates1[x][2] - atom_coordinates2[y][2])**2 + if this_d < min_d: + min_d = this_d + if min_d > 1000.0: + break + if min_d > 1000.0: + break + res_distances[i, j] = min_d + cum_j_atoms = cum_j_atoms + j_atoms + cum_i_atoms = cum_i_atoms + i_atoms + + return res_distances + +@cython.boundscheck(False) +@cython.wraparound(False) +def get_fnat_stats(float [:,:] model_res_distances, float [:,:] native_res_distances, float threshold=5.0): + cdef: + int native_shape_0 = native_res_distances.shape[0] + int native_shape_1 = native_res_distances.shape[1] + int i, j + int n_native_contacts = 0 + int n_model_contacts = 0 + int n_shared_contacts = 0 + int n_non_native_contacts = 0 + float threshold_squared + + threshold_squared = threshold * threshold + for i in range(native_shape_0): + for j in range(native_shape_1): + if native_res_distances[i, j] < threshold_squared: + n_native_contacts += 1 + if model_res_distances[i, j] < threshold_squared: + n_shared_contacts += 1 + if model_res_distances[i, j] < threshold_squared: + n_model_contacts += 1 + if native_res_distances[i, j] >= threshold_squared: + n_non_native_contacts += 1 + + return ( + n_shared_contacts, + n_non_native_contacts, + n_native_contacts, + n_model_contacts, + ) diff --git a/benchmarks/FoldBench/evaluation/DockQv2/operations_nocy.py b/benchmarks/FoldBench/evaluation/DockQv2/operations_nocy.py new file mode 100644 index 0000000000000000000000000000000000000000..079964fd447723f7319d4f37447a4618fa0ff32e --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/operations_nocy.py @@ -0,0 +1,49 @@ +import numpy as np + + +def get_distances_across_chains(model_A_atoms, model_B_atoms): + + distances = ((model_A_atoms[:, None] - model_B_atoms[None, :]) ** 2).sum(-1) + + return distances + + +def atom_distances_to_residue_distances(atom_distances, atoms_per_res1, atoms_per_res2): + res_distances = np.zeros((len(atoms_per_res1), len(atoms_per_res2))) + + cum_i_atoms = 0 + for i, i_atoms in enumerate(atoms_per_res1): + cum_j_atoms = 0 + for j, j_atoms in enumerate(atoms_per_res2): + res_distances[i, j] = atom_distances[ + cum_i_atoms : cum_i_atoms + i_atoms, cum_j_atoms : cum_j_atoms + j_atoms + ].min() + cum_j_atoms += j_atoms + cum_i_atoms += i_atoms + return res_distances + + +def residue_distances( + atom_coordinates1, atom_coordinates2, atoms_per_res1, atoms_per_res2 +): + atom_distances = get_distances_across_chains(atom_coordinates1, atom_coordinates2) + res_distances = atom_distances_to_residue_distances( + atom_distances, atoms_per_res1, atoms_per_res2 + ) + + return res_distances + + +def get_fnat_stats(model_res_distances, native_res_distances, threshold=5.0): + native_contacts = native_res_distances < threshold ** 2 + model_contacts = model_res_distances < threshold ** 2 + n_native_contacts = np.sum(native_contacts) + n_model_contacts = np.sum(model_contacts) + n_shared_contacts = np.sum(model_contacts * native_contacts) + n_non_native_contacts = np.sum(model_contacts * (1 - native_contacts)) + return ( + n_shared_contacts, + n_non_native_contacts, + n_native_contacts, + n_model_contacts, + ) diff --git a/benchmarks/FoldBench/evaluation/DockQv2/parsers.py b/benchmarks/FoldBench/evaluation/DockQv2/parsers.py new file mode 100644 index 0000000000000000000000000000000000000000..70f03faff0b8088e04e5f1079d5994e3f325ce7b --- /dev/null +++ b/benchmarks/FoldBench/evaluation/DockQv2/parsers.py @@ -0,0 +1,533 @@ +import warnings +import numpy as np +import Bio +from Bio.PDB.MMCIF2Dict import MMCIF2Dict +from Bio.PDB.PDBExceptions import PDBConstructionWarning +from Bio.PDB.PDBExceptions import PDBConstructionException +from Bio.PDB.PDBParser import as_handle +from Bio.SeqUtils import seq1 +import collections + +custom_map = {"MSE": "M", "CME": "C"} + + +class MMCIFParser(Bio.PDB.MMCIFParser): + def get_structure( + self, + structure_id, + filename, + chains=[], + parse_hetatms=False, + auth_chains=True, + model_number=0, + ): + """Return the structure. + + Arguments: + - structure_id - string, the id that will be used for the structure + - filename - name of mmCIF file, OR an open text mode file handle + + """ + self.auth_chains = auth_chains + self.auth_residues = True + with warnings.catch_warnings(): + if self.QUIET: + warnings.filterwarnings("ignore", category=PDBConstructionWarning) + self._mmcif_dict = MMCIF2Dict(filename) + sequences, is_het = self._build_structure( + structure_id, chains, parse_hetatms=parse_hetatms + ) + self._structure_builder.set_header(self._get_header()) + + structure = self._structure_builder.get_structure() + model = structure[model_number] + for chain in model: + chain.sequence = sequences[chain.id] + chain.is_het = is_het[chain.id] + + return model + + def _build_structure(self, structure_id, chains, parse_hetatms): + # two special chars as placeholders in the mmCIF format + # for item values that cannot be explicitly assigned + # see: pdbx/mmcif syntax web page + _unassigned = {".", "?"} + + mmcif_dict = self._mmcif_dict + sequences = {} + is_het = {} + atom_serial_list = mmcif_dict["_atom_site.id"] + atom_id_list = mmcif_dict["_atom_site.label_atom_id"] + residue_id_list = mmcif_dict["_atom_site.label_comp_id"] + + + try: + element_list = mmcif_dict["_atom_site.type_symbol"] + except KeyError: + element_list = None + + chain_id_list = mmcif_dict["_atom_site.label_asym_id"] + + + entity_to_mmcif_chains = collections.defaultdict(list) + for idx,entity_id in enumerate(mmcif_dict["_atom_site.label_entity_id"]): + entity_to_mmcif_chains[entity_id].append(mmcif_dict["_atom_site.label_asym_id"][idx]) + polymer_id_list = [] + for idx,entity_id in enumerate(mmcif_dict["_entity_poly_seq.entity_id"]): + polymer_id_list+=entity_to_mmcif_chains[entity_id] + polymer_id_list=list(set(polymer_id_list)) + + x_list = [float(x) for x in mmcif_dict["_atom_site.Cartn_x"]] + y_list = [float(x) for x in mmcif_dict["_atom_site.Cartn_y"]] + z_list = [float(x) for x in mmcif_dict["_atom_site.Cartn_z"]] + alt_list = mmcif_dict["_atom_site.label_alt_id"] + icode_list = mmcif_dict["_atom_site.pdbx_PDB_ins_code"] + b_factor_list = mmcif_dict["_atom_site.B_iso_or_equiv"] + if "_atom_site.occupancy" not in mmcif_dict: + occupancy_list = [1.0]*len(atom_id_list) + else: + occupancy_list = mmcif_dict["_atom_site.occupancy"] + fieldname_list = mmcif_dict["_atom_site.group_PDB"] + try: + serial_list = [int(n) for n in mmcif_dict["_atom_site.pdbx_PDB_model_num"]] + except KeyError: + # No model number column + serial_list = None + except ValueError: + # Invalid model number (malformed file) + raise PDBConstructionException("Invalid model number") from None + try: + aniso_u11 = mmcif_dict["_atom_site_anisotrop.U[1][1]"] + aniso_u12 = mmcif_dict["_atom_site_anisotrop.U[1][2]"] + aniso_u13 = mmcif_dict["_atom_site_anisotrop.U[1][3]"] + aniso_u22 = mmcif_dict["_atom_site_anisotrop.U[2][2]"] + aniso_u23 = mmcif_dict["_atom_site_anisotrop.U[2][3]"] + aniso_u33 = mmcif_dict["_atom_site_anisotrop.U[3][3]"] + aniso_flag = 1 + except KeyError: + # no anisotropic B factors + aniso_flag = 0 + + if self.auth_residues: + # if auth_seq_id is present, we use this. + # Otherwise label_seq_id is used. + if "_atom_site.auth_seq_id" in mmcif_dict: + seq_id_list = mmcif_dict["_atom_site.auth_seq_id"] + else: + seq_id_list = mmcif_dict["_atom_site.label_seq_id"] + else: + seq_id_list = mmcif_dict["_atom_site.label_seq_id"] + # Now loop over atoms and build the structure + current_chain_id = None + current_residue_id = None + current_resname = None + structure_builder = self._structure_builder + structure_builder.init_structure(structure_id) + structure_builder.init_seg(" ") + # Historically, Biopython PDB parser uses model_id to mean array index + # so serial_id means the Model ID specified in the file + current_model_id = -1 + current_serial_id = -1 + for i in range(len(atom_id_list)): + chainid = chain_id_list[i] + if chains and chainid not in chains: + continue + fieldname = fieldname_list[i] + if fieldname == "HETATM" and not parse_hetatms: + continue + element = element_list[i].upper() if element_list else None + if element == "H": + continue + # set the line_counter for 'ATOM' lines only and not + # as a global line counter found in the PDBParser() + structure_builder.set_line_counter(i) + + # Try coercing serial to int, for compatibility with PDBParser + # But do not quit if it fails. mmCIF format specs allow strings. + try: + serial = int(atom_serial_list[i]) + except ValueError: + serial = atom_serial_list[i] + warnings.warn( + "PDBConstructionWarning: Some atom serial numbers are not numerical", + PDBConstructionWarning, + ) + + x = x_list[i] + y = y_list[i] + z = z_list[i] + resname = residue_id_list[i] + altloc = alt_list[i] + if altloc in _unassigned: + altloc = " " + resseq = seq_id_list[i] + if resseq == ".": + # Non-existing residue ID + try: + msg_resseq = mmcif_dict["_atom_site.auth_seq_id"][i] + msg = f"Non-existing residue ID in chain '{chainid}', residue '{msg_resseq}'" + except (KeyError, IndexError): + msg = f"Non-existing residue ID in chain '{chainid}'" + warnings.warn( + "PDBConstructionWarning: " + msg, + PDBConstructionWarning, + ) + continue + int_resseq = int(resseq) + icode = icode_list[i] + if icode in _unassigned: + icode = " " + name = atom_id_list[i] + # occupancy & B factor + try: + tempfactor = float(b_factor_list[i]) + except ValueError: + raise PDBConstructionException("Invalid or missing B factor") from None + try: + occupancy = float(occupancy_list[i]) + except ValueError: + raise PDBConstructionException("Invalid or missing occupancy") from None + hetatm_flag = " " if fieldname != "HETATM" else "H" + + resseq = (hetatm_flag, int_resseq, icode) + + if serial_list is not None: + # model column exists; use it + serial_id = serial_list[i] + if current_serial_id != serial_id: + # if serial changes, update it and start new model + current_serial_id = serial_id + current_model_id += 1 + structure_builder.init_model(current_model_id, current_serial_id) + current_chain_id = None + current_residue_id = None + current_resname = None + else: + # no explicit model column; initialize single model + structure_builder.init_model(current_model_id) + + if current_chain_id != chainid: + current_chain_id = chainid + if current_chain_id not in sequences: + sequences[current_chain_id] = "" + if current_chain_id not in is_het: + is_het[current_chain_id] = None + structure_builder.init_chain(current_chain_id) + current_residue_id = None + current_resname = None + + if current_residue_id != resseq or current_resname != resname: + current_residue_id = resseq + current_resname = resname + + if chainid in polymer_id_list: + resname1 = ( + seq1(current_resname, custom_map=custom_map) + if len(current_resname) == 3 + else current_resname[-1] + if (len(current_resname) == 2) + else current_resname + ) + sequences[current_chain_id] += resname1 + else: + sequences[current_chain_id] = resname + is_het[current_chain_id] = resname + structure_builder.init_residue(resname, hetatm_flag, int_resseq, icode) + + coord = np.array((x, y, z), "f") + + structure_builder.init_atom( + name, + coord, + tempfactor, + occupancy, + altloc, + name, + serial_number=serial, + element=element, + ) + if aniso_flag == 1 and i < len(aniso_u11): + u = ( + aniso_u11[i], + aniso_u12[i], + aniso_u13[i], + aniso_u22[i], + aniso_u23[i], + aniso_u33[i], + ) + mapped_anisou = [float(_) for _ in u] + anisou_array = np.array(mapped_anisou, "f") + structure_builder.set_anisou(anisou_array) + # Now try to set the cell + + try: + a = float(mmcif_dict["_cell.length_a"][0]) + b = float(mmcif_dict["_cell.length_b"][0]) + c = float(mmcif_dict["_cell.length_c"][0]) + alpha = float(mmcif_dict["_cell.angle_alpha"][0]) + beta = float(mmcif_dict["_cell.angle_beta"][0]) + gamma = float(mmcif_dict["_cell.angle_gamma"][0]) + cell = np.array((a, b, c, alpha, beta, gamma), "f") + spacegroup = mmcif_dict["_symmetry.space_group_name_H-M"][0] + spacegroup = spacegroup[1:-1] # get rid of quotes!! + if spacegroup is None: + raise Exception + structure_builder.set_symmetry(spacegroup, cell) + except Exception: + pass # no cell found, so just ignore + return sequences, is_het + + +class PDBParser(Bio.PDB.PDBParser): + def get_structure(self, id, file, chains, parse_hetatms, model_number=0): + """Return the structure. + + Arguments: + - id - string, the id that will be used for the structure + - file - name of the PDB file OR an open filehandle + + """ + with warnings.catch_warnings(): + if self.QUIET: + warnings.filterwarnings("ignore", category=PDBConstructionWarning) + + self.header = None + self.trailer = None + # Make a StructureBuilder instance (pass id of structure as parameter) + self.structure_builder.init_structure(id) + + with as_handle(file) as handle: + lines = handle.readlines() + if not lines: + raise ValueError("Empty file.") + sequences, is_het = self._parse( + lines, chains, parse_hetatms=parse_hetatms + ) + self.structure_builder.set_header(self.header) + # Return the Structure instance + structure = self.structure_builder.get_structure() + model = structure[model_number] + + for chain in model: + chain.sequence = sequences[chain.id] + chain.is_het = is_het[chain.id] + # chain.type = + return model + + def _parse(self, header_coords_trailer, chains, parse_hetatms): + """Parse the PDB file (PRIVATE).""" + # Extract the header; return the rest of the file + self.header, coords_trailer = self._get_header(header_coords_trailer) + # Parse the atomic data; return the PDB file trailer + self.trailer, sequences, is_het = self._parse_coordinates( + coords_trailer, chains, parse_hetatms + ) + return sequences, is_het + + def _parse_coordinates(self, coords_trailer, chains=[], parse_hetatms=False): + """Parse the atomic data in the PDB file (PRIVATE).""" + allowed_records = { + "ATOM ", + "HETATM", + "MODEL ", + "ENDMDL", + "TER ", + } + sequences = {} + is_het = {} + local_line_counter = 0 + structure_builder = self.structure_builder + current_model_id = 0 + # Flag we have an open model + model_open = 0 + current_chain_id = None + current_segid = None + current_residue_id = None + current_resname = None + + for i in range(len(coords_trailer)): + line = coords_trailer[i].rstrip("\n") + record_type = line[0:6] + global_line_counter = self.line_counter + local_line_counter + 1 + structure_builder.set_line_counter(global_line_counter) + if not line.strip(): + continue # skip empty lines + elif record_type == "HETATM" and not parse_hetatms: + continue + elif record_type == "ATOM " or record_type == "HETATM": + # Initialize the Model - there was no explicit MODEL record + if not model_open: + structure_builder.init_model(current_model_id) + current_model_id += 1 + model_open = 1 + chainid = line[21] + if chains and chainid not in chains: + continue + element = line[76:78].strip().upper() + if element == "H": + continue + fullname = line[12:16] + # get rid of whitespace in atom names + split_list = fullname.split() + if len(split_list) != 1: + # atom name has internal spaces, e.g. " N B ", so + # we do not strip spaces + name = fullname + else: + # atom name is like " CA ", so we can strip spaces + name = split_list[0] + altloc = line[16] + resname = line[17:20].strip() + hetatm_flag = " " + if record_type == "HETATM": # hetero atom flag + # if a small molecule and the name matches what we're looking for + hetatm_flag = "H" + + try: + serial_number = int(line[6:11]) + except Exception: + serial_number = 0 + resseq = int(line[22:26].split()[0]) # sequence identifier + icode = line[26] # insertion code + residue_id = (hetatm_flag, resseq, icode) + # atomic coordinates + try: + x = float(line[30:38]) + y = float(line[38:46]) + z = float(line[46:54]) + except Exception: + # Should we allow parsing to continue in permissive mode? + # If so, what coordinates should we default to? Easier to abort! + raise PDBConstructionException( + "Invalid or missing coordinate(s) at line %i." + % global_line_counter + ) from None + coord = np.array((x, y, z), "f") + + try: + occupancy = float(line[54:60]) + except Exception: + self._handle_PDB_exception( + "Invalid or missing occupancy", global_line_counter + ) + occupancy = None # Rather than arbitrary zero or one + if occupancy is not None and occupancy < 0: + # TODO - Should this be an error in strict mode? + # self._handle_PDB_exception("Negative occupancy", + # global_line_counter) + # This uses fixed text so the warning occurs once only: + warnings.warn( + "Negative occupancy in one or more atoms", + PDBConstructionWarning, + ) + try: + bfactor = float(line[60:66]) + except Exception: + self._handle_PDB_exception( + "Invalid or missing B factor", global_line_counter + ) + bfactor = 0.0 # PDB uses a default of zero if missing + + segid = line[72:76] + if current_segid != segid: + current_segid = segid + structure_builder.init_seg(current_segid) + if current_chain_id != chainid: + current_chain_id = chainid + structure_builder.init_chain(current_chain_id) + current_residue_id = residue_id + current_resname = resname + if current_chain_id not in sequences: + sequences[current_chain_id] = "" + if current_chain_id not in is_het: + is_het[current_chain_id] = None + try: + structure_builder.init_residue( + resname, hetatm_flag, resseq, icode + ) + if hetatm_flag == " ": + resname1 = ( + seq1(current_resname, custom_map=custom_map) + if len(current_resname) == 3 + else current_resname[-1] + if (len(current_resname) == 2) + else current_resname + ) + sequences[current_chain_id] = resname1 + else: + sequences[current_chain_id] = current_resname + is_het[current_chain_id] = current_resname + except PDBConstructionException as message: + self._handle_PDB_exception(message, global_line_counter) + elif current_residue_id != residue_id or current_resname != resname: + current_residue_id = residue_id + current_resname = resname + try: + structure_builder.init_residue( + resname, hetatm_flag, resseq, icode + ) + if hetatm_flag == " ": + resname1 = ( + seq1(current_resname, custom_map=custom_map) + if len(current_resname) == 3 + else current_resname[-1] + if (len(current_resname) == 2) + else current_resname + ) + sequences[current_chain_id] += resname1 + else: + sequences[current_chain_id] = current_resname + is_het[current_chain_id] = current_resname + except PDBConstructionException as message: + self._handle_PDB_exception(message, global_line_counter) + + # init atom with pdb fields + try: + structure_builder.init_atom( + name, + coord, + bfactor, + occupancy, + altloc, + fullname, + serial_number, + element, + ) + except PDBConstructionException as message: + self._handle_PDB_exception(message, global_line_counter) + elif record_type == "ANISOU": + continue + elif record_type == "MODEL ": + try: + serial_num = int(line[10:14]) + except Exception: + self._handle_PDB_exception( + "Invalid or missing model serial number", global_line_counter + ) + serial_num = 0 + structure_builder.init_model(current_model_id, serial_num) + current_model_id += 1 + model_open = 1 + current_chain_id = None + current_residue_id = None + elif record_type == "END " or record_type == "CONECT": + # End of atomic data, return the trailer + self.line_counter += local_line_counter + return coords_trailer[local_line_counter:], sequences, is_het + elif record_type == "ENDMDL": + model_open = 0 + current_chain_id = None + current_residue_id = None + elif record_type == "SIGUIJ": + continue + elif record_type == "SIGATM": + continue + elif record_type not in allowed_records: + warnings.warn( + f"Ignoring unrecognized record '{record_type}' at line {global_line_counter}", + PDBConstructionWarning, + ) + local_line_counter += 1 + # EOF (does not end in END or CONECT) + self.line_counter = self.line_counter + local_line_counter + return [], sequences, is_het diff --git a/benchmarks/FoldBench/evaluation/__init__.py b/benchmarks/FoldBench/evaluation/__init__.py new file mode 100644 index 0000000000000000000000000000000000000000..8c023468dca450985c372a1c9b08567e17f58266 --- /dev/null +++ b/benchmarks/FoldBench/evaluation/__init__.py @@ -0,0 +1,2 @@ +from .eval_by_ost import eval_by_ost +from .eval_by_dockqv2 import eval_by_dockqv2 diff --git a/benchmarks/FoldBench/evaluation/eval_by_dockqv2.py b/benchmarks/FoldBench/evaluation/eval_by_dockqv2.py new file mode 100644 index 0000000000000000000000000000000000000000..3aae4ff577d26dffec480347d4bf17c5fe0977b3 --- /dev/null +++ b/benchmarks/FoldBench/evaluation/eval_by_dockqv2.py @@ -0,0 +1,323 @@ +import sys +from .DockQv2.DockQ import ( + load_PDB, + run_on_all_native_interfaces, + group_chains, + get_all_chain_maps, + count_chain_combinations, + format_mapping +) +import itertools +from functools import partial +import pandas as pd +from tqdm import tqdm +import json +import os +from multiprocessing import Pool +import traceback +import numpy as np +from concurrent.futures import ProcessPoolExecutor, as_completed + +AMINO_ACIDS = { + 'ALA', 'ARG', 'ASN', 'ASP', 'CYS', + 'GLN', 'GLU', 'GLY', 'HIS', 'ILE', + 'LEU', 'LYS', 'MET', 'PHE', 'PRO', + 'SER', 'THR', 'TRP', 'TYR', 'VAL', + # Non-standard amino acids + 'MSE', 'SEC', 'PYL' +} + +NUCLEOTIDES = { + # DNA + 'DA', 'DT', 'DG', 'DC', 'DI', 'DU', + # RNA + 'A', 'U', 'G', 'C', 'I' +} + +class NumpyEncoder(json.JSONEncoder): + def default(self, obj): + if isinstance(obj, np.integer): + return int(obj) + elif isinstance(obj, np.floating): + return float(obj) + elif isinstance(obj, np.ndarray): + return obj.tolist() + return super(NumpyEncoder, self).default(obj) + +def determine_chain_type(chain_id, residues): + """ + Determine the type of a chain based on its residue composition. + + Parameters: + - chain_id (str): Chain identifier + - residues (list): List of residue names + + Returns: + - str: Chain type ('protein', 'na', or 'unk') + """ + if not residues: + return 'unk' + + # Calculate the number of protein and nucleotide residues + protein_count = sum(1 for res in residues if res in AMINO_ACIDS) + na_count = sum(1 for res in residues if res in NUCLEOTIDES) + + total_residues = len(residues) + + # Set threshold (if more than 90% of residues are of a type, it is considered that type) + threshold = 0.8 + + # Determine the type + if protein_count / total_residues >= threshold: + return 'protein' + elif na_count / total_residues >= threshold: + return 'na' + else: + return 'unk' + +# Add chain type to the structure +def reformat_type(structure): + for chain_id, chain_value in structure.child_dict.items(): + residues=[] + type='ligand' if chain_value.is_het else None + if type is None: + for res_id, res_value in chain_value.child_dict.items(): + residues.append(str(res_value.resname).upper()) + type=determine_chain_type(chain_id, residues) + structure.child_dict[chain_id].type=type + for idx, res in enumerate(structure.child_list): + if res.id == chain_id: + structure.child_list[idx].type=type + return structure + + +# Original DockQ treats modified residues as ligand, we need to reformat the structure to keep them as polymer +# NOTE: DockQv2.parsers.MMCIFParser has been modified to obtain polymer chain IDs from the structure +def reformat_het(structure): + for chain_id, chain_value in structure.child_dict.items(): + is_polymer = False + for res_id, res_value in chain_value.child_dict.items(): + if res_id[0] == ' ': + is_polymer = True + break + if is_polymer: + structure.child_dict[chain_id].is_het = None + for idx, res in enumerate(structure.child_list): + if res.id == chain_id: + structure.child_list[idx].is_het = None + break + + return structure + + + +def dockq(model_path, native_path, model_chains=None, native_chains=None, small_molecule=False, allowed_mismatches=0): + """ + Calculate the DockQ scores for a predicted structure. + + Parameters: + - model_path (str): The path to the model (pred) PDB file. + - native_path (str): The path to the native (ground truth) PDB file. + - model_chains (list): A list of chain IDs in the model structure to consider. If None, all chains will be considered. + - native_chains (list): A list of chain IDs in the native structure to consider. If None, all chains will be considered. + - small_molecule (bool): Whether the structure contains a small molecule ligand. Default is False. + - allowed_mismatches (int): The maximum number of allowed mismatches between model and native chains. Default is 0. + """ + + initial_mapping = {} + + model_structure = load_PDB( + model_path, small_molecule=small_molecule + ) + + native_structure = load_PDB( + native_path, small_molecule=small_molecule + ) + + native_structure = reformat_het(native_structure) + model_structure = reformat_het(model_structure) + model_structure = reformat_type(model_structure) + native_structure = reformat_type(native_structure) + + model_chains = [ + c.id for c in model_structure] if model_chains is None else model_chains + native_chains = [ + c.id for c in native_structure] if native_chains is None else native_chains + + # permute chains and run on a for loop + best_dockq = -1 + best_result = None + best_mapping = None + + model_chains_to_combo = [ + mc for mc in model_chains if mc not in initial_mapping.values() + ] + native_chains_to_combo = [ + nc for nc in native_chains if nc not in initial_mapping.keys() + ] + + chain_clusters, reverse_map = group_chains( + model_structure, + native_structure, + model_chains_to_combo, + native_chains_to_combo, + allowed_mismatches=allowed_mismatches + ) + chain_maps = get_all_chain_maps( + chain_clusters, + initial_mapping, + reverse_map, + model_chains_to_combo, + native_chains_to_combo, + ) + + num_chain_combinations = count_chain_combinations(chain_clusters) + # copy iterator to use later + chain_maps, chain_maps_ = itertools.tee(chain_maps) + + run_chain_map = partial( + run_on_all_native_interfaces, + model_structure, + native_structure + ) + + if num_chain_combinations > 1: + cpus = 1 + chunk_size = 1 + + result_this_mappings = [run_chain_map( + chain_map) for chain_map in chain_maps] + + for chain_map, (result_this_mapping, total_dockq) in zip( + chain_maps_, result_this_mappings + ): + if total_dockq > best_dockq: + best_dockq = total_dockq + best_result = result_this_mapping + best_mapping = chain_map + + else: + best_mapping = next(chain_maps) + best_result, best_dockq = run_chain_map(best_mapping) + + info = dict() + info["model"] = model_path.split("/")[-1] + info["native"] = native_path.split("/")[-1] + info["best_dockq"] = best_dockq + info["best_result"] = best_result + info["GlobalDockQ"] = best_dockq / len(best_result) + info["best_mapping"] = best_mapping + + return info + + +def process_single_case(args): + + row, ground_truth_path, detail_path, mode= args + + pdb_id = row["pdb_id"] + interface_chain_id_1 = row["interface_chain_id_1"] + interface_chain_id_2 = row["interface_chain_id_2"] + seed = row["seed"] + sample = row["sample"] + prediction_path = row["prediction_path"] + + output_path = f'{detail_path}/{pdb_id}_{seed}_{sample}_{interface_chain_id_1}_{interface_chain_id_2}_{mode}_dockqv2.json' + + if not os.path.exists(prediction_path): + print(f"prediction_path is None for {pdb_id} with seed {seed} and sample {sample}") + return "prediction_path is None" + + native_path = os.path.join(ground_truth_path, f'{pdb_id}.cif') + + result = { + **row, + } + + if mode == 'ligand': + small_molecule = True + else: + small_molecule = False + + try: + info = dockq( + model_path=prediction_path, + native_path=native_path, + native_chains=[interface_chain_id_1, interface_chain_id_2], + small_molecule=small_molecule, + allowed_mismatches=4 + ) + + if info is None: + return None + else: + json.dump(info, open(output_path, 'w'), cls=NumpyEncoder) + + + key = list(info['best_result'].keys())[0] + best_result = info["best_result"][key] + + result.update({ + 'lrmsd': best_result["LRMSD"], + 'irmsd': best_result["iRMSD"], + 'dockq_score': best_result["DockQ"] + }) + + return result + + except BaseException as e: + print(f"Error when calculating dockq for {pdb_id} with seed {seed} and sample {sample}") + print(traceback.format_exc()) + return None + + + + + + + +def eval_by_dockqv2(target_df,interface_type,evaluation_dir,ground_truth_dir,max_workers = 32): + + exported_path = evaluation_dir + detail_path = os.path.join(exported_path, 'detail') + if not os.path.exists(detail_path): + os.makedirs(detail_path) + mode = '' + if interface_type in ["interface_protein_dna","interface_protein_rna"]: + mode = "structure" + elif interface_type == "ligand": + mode = "ligand" + + tasks = [] + for index, row in target_df.iterrows(): + tasks.append(( + row, + ground_truth_dir, + detail_path, + mode + )) + + + results = [] + with ProcessPoolExecutor(max_workers=max_workers) as executor: + + future_to_task = {executor.submit(process_single_case, task): task for task in tasks} + + for future in tqdm(as_completed(future_to_task), total=len(tasks)): + try: + result = future.result(timeout=20) + if result is not None: + results.append(result) + except TimeoutError: + print("this took too long...") + task = future_to_task[future] + future.cancel() + except Exception as e: + task = future_to_task[future] + print(f"Error occurred for task: {task}") + print(traceback.format_exc()) + future.cancel() + + print(f"Total results for {interface_type}: {len(results)}") + df = pd.DataFrame(results) + df.to_csv(os.path.join(evaluation_dir,'raw',f"{interface_type}_dockqv2.csv"), index=False) \ No newline at end of file diff --git a/benchmarks/FoldBench/evaluation/eval_by_ost.py b/benchmarks/FoldBench/evaluation/eval_by_ost.py new file mode 100644 index 0000000000000000000000000000000000000000..e857b406d17374d945e2ed563f5f1cd42592cbd7 --- /dev/null +++ b/benchmarks/FoldBench/evaluation/eval_by_ost.py @@ -0,0 +1,283 @@ +import itertools +from functools import partial +import pandas as pd +from tqdm import tqdm +import json +import os +from multiprocessing import Pool +import traceback +import subprocess +import numpy as np +from concurrent.futures import ProcessPoolExecutor, ThreadPoolExecutor, as_completed,TimeoutError +import pandas as pd +from tqdm import tqdm +import traceback +import json +import os + +OST_COMPARE_LIGAND_STRUCTURE = r""" +ost compare-ligand-structures \ +-m {model_file} \ +-r {reference_file} \ +--fault-tolerant \ +--lddt-pli --rmsd \ +-o {output_path} +""" + +OST_COMPARE_STRUCTURE = r""" + ost compare-structures \ + -m {model_file} \ + -r {reference_file} \ + -o {output_path} \ + --fault-tolerant \ + --min-pep-length 4 \ + --min-nuc-length 4 \ + --lddt --rigid-scores --tm-score --dockq \ +""" + +def get_structure_value(output_path,native_chain_id_1,native_chain_id_2): + + # Load the CSV file + dockq = None + irmsd = None + lrmsd = None + len_dockq = None + lddt = None + tm_score = None + gdt_ts = None + rmsd = None + try: + with open(output_path, 'r') as f: + data = json.load(f) + + + for i,interface in enumerate(data['dockq_interfaces']): + if native_chain_id_1 in interface and native_chain_id_2 in interface: + dockq = data['dockq'][i] + irmsd = data['irmsd'][i] + lrmsd = data['lrmsd'][i] + # breakpoint() + len_dockq = len(data['dockq']) + lddt = data['lddt'] + tm_score = data['tm_score'] + gdt_ts = data['oligo_gdtts'] + rmsd = data['rmsd'] + except FileNotFoundError: + print(f"FileNotFoundError: {output_path}") # Return None if the file does not exist + finally: + return dockq,irmsd,lrmsd,len_dockq,lddt,tm_score,gdt_ts,rmsd + +def get_ligand_value(output_path,native_chain_id_1,native_chain_id_2): + + # Load the CSV file + rmsd = None + lddt_lp = None + lddt_pli = None + try: + with open(output_path, 'r') as f: + data = json.load(f) + + for item in data['rmsd']['assigned_scores']: + reference_ligand_name = item['reference_ligand'] + # native_chain_id_2 is ligand by default + if native_chain_id_2 == reference_ligand_name.split('.')[0]: + rmsd = item['score'] + lddt_lp = item['lddt_lp'] + + for item in data['lddt_pli']['assigned_scores']: + reference_ligand_name = item['reference_ligand'] + # native_chain_id_2 is ligand by default + if native_chain_id_2 == reference_ligand_name.split('.')[0]: + lddt_pli = item['score'] + + except FileNotFoundError: + print(f"FileNotFoundError: {output_path}") # Return None if the file does not exist + finally: + return rmsd,lddt_lp,lddt_pli + +def evaluate_structure( + pred, + reference, + outdir: str, + executable: str = "/bin/bash", + mode = 'ligand' # all, structure, ligand +) -> None: + """Evaluate the structure.""" + if mode == 'ligand': + result = subprocess.run( + OST_COMPARE_LIGAND_STRUCTURE.format( + model_file=str(pred), + reference_file=str(reference), + output_path=os.path.join(outdir), + ), + shell=True, # noqa: S602 + check=False, + executable=executable, + capture_output=True, + ) + elif mode == 'structure': + result = subprocess.run( + OST_COMPARE_STRUCTURE.format( + model_file=str(pred), + reference_file=str(reference), + output_path=os.path.join(outdir), + ), + shell=True, # noqa: S602 + check=False, + executable=executable, + capture_output=True, + ) + return result + +def ost_evaluation(args): + row, ground_truth_path, detail_path, mode= args + + pdb_id = row["pdb_id"] + seed = row["seed"] + sample = row["sample"] + prediction_path = row["prediction_path"] + + output_path = f'{detail_path}/{pdb_id}_{seed}_{sample}_{mode}_ost.json' + if os.path.exists(output_path): + return "exist" + + if not os.path.exists(prediction_path): + print(f"prediction_path is None for {pdb_id} with seed {seed} and sample {sample}") + return "prediction_path is None" + + native_path = os.path.join(ground_truth_path, f'{pdb_id}.cif') + + try: + evaluate_structure( + pred = prediction_path, + reference = native_path, + outdir = output_path, + mode = mode + ) + except BaseException as e: + print(f"Error when calculating dockq for {pdb_id} with seed {seed} and sample {sample}") + print(traceback.format_exc()) + return "Error when calculating dockq" + +def ost_get_result(args): + + row, ground_truth_path, detail_path, mode= args + + pdb_id = row["pdb_id"] + if 'interface_chain_id_1' in row.keys() and 'interface_chain_id_2' in row.keys(): + interface_chain_id_1 = row["interface_chain_id_1"] + interface_chain_id_2 = row["interface_chain_id_2"] + elif 'native_chain_id_1' in row.keys() and 'native_chain_id_2' in row.keys(): + interface_chain_id_1 = row["native_chain_id_1"] + interface_chain_id_2 = row["native_chain_id_2"] + elif 'chain_id' in row.keys(): + interface_chain_id_1 = row["chain_id"] + interface_chain_id_2 = row["chain_id"] + seed = row["seed"] + sample = row["sample"] + prediction_path = row["prediction_path"] + + output_path = f'{detail_path}/{pdb_id}_{seed}_{sample}_{mode}_ost.json' + + if not os.path.exists(prediction_path): + print(f"prediction_path is None for {pdb_id} with seed {seed} and sample {sample}") + return "prediction_path is None" + + + result = { + **row, + } + + try: + if mode == 'ligand': + rmsd,lddt_lp, lddt_pli = get_ligand_value(output_path,interface_chain_id_1,interface_chain_id_2) + result.update({ + 'rmsd': rmsd, + 'lddt-lp': lddt_lp, + 'lddt-pli': lddt_pli, + }) + elif mode == 'structure': + dockq_ost,irmsd,lrmsd,len_dockq,lddt,tm_score,gdt_ts,rmsd = get_structure_value(output_path,interface_chain_id_1,interface_chain_id_2) + result.update({ + 'dockq_score': dockq_ost, + 'irmsd':irmsd, + 'lrmsd':lrmsd, + 'len_dockq':len_dockq, + 'lddt':lddt, + 'tm_score':tm_score, + 'gdt_ts':gdt_ts, + 'rmsd':rmsd + }) + + return result + except BaseException as e: + print(f"Error when calculating dockq for {pdb_id} with seed {seed} and sample {sample}") + print(traceback.format_exc()) + return None + + + +def eval_by_ost(target_df,target_type,evaluation_dir,ground_truth_dir,max_workers = 64): + + detail_path = os.path.join(evaluation_dir, 'detail') + if not os.path.exists(detail_path): + os.makedirs(detail_path) + + mode = '' + + if target_type in ["interface_protein_protein","interface_antibody_antigen","interface_protein_peptide","interface_protein_dna","interface_protein_rna","monomer_dna","monomer_rna","monomer_protein"]: + mode = "structure" + elif target_type == "interface_protein_ligand": + mode = "ligand" + + tasks = [] + for index, row in target_df.iterrows(): + tasks.append(( + row, + ground_truth_dir, + detail_path, + mode + )) + + results_ost = [] + # evaluation by ost + with ThreadPoolExecutor(max_workers=max_workers) as executor: + + future_to_task = {executor.submit(ost_evaluation , task): task for task in tasks} + for future in tqdm(as_completed(future_to_task), total=len(tasks)): + try: + result = future.result(timeout=20) + if result is not None: + results_ost.append(result) + except TimeoutError: + print("this took too long...") + task = future_to_task[future] + future.cancel() + except Exception as e: + task = future_to_task[future] + print(f"Error occurred for task: {task}") + print(traceback.format_exc()) + future.cancel() + + results = [] + with ThreadPoolExecutor(max_workers=max_workers) as executor: + future_to_task = {executor.submit(ost_get_result, task): task for task in tasks} + + for future in tqdm(as_completed(future_to_task), total=len(tasks)): + try: + result = future.result(timeout=20) + if result is not None: + results.append(result) + except TimeoutError: + print("this took too long...") + task = future_to_task[future] + future.cancel()# + except Exception as e: + task = future_to_task[future] + print(f"Error occurred for task: {task}") + print(traceback.format_exc()) + future.cancel() + + print(f"Total results for {target_type}: {len(results)}") + df = pd.DataFrame(results) + df.to_csv(os.path.join(evaluation_dir,'raw',f"{target_type}_ost.csv"), index=False) diff --git a/benchmarks/FoldBench/examples/alphafold3_inputs.json b/benchmarks/FoldBench/examples/alphafold3_inputs.json new file mode 100644 index 0000000000000000000000000000000000000000..558fef8472ec5fe28f0c68acb47ca8bcc087412a --- /dev/null +++ b/benchmarks/FoldBench/examples/alphafold3_inputs.json @@ -0,0 +1,212 @@ +[ + { + "dialect": "alphafold3", + "version": 2, + "name": "8tuz-assembly1", + "sequences": [ + { + "protein": { + "id": "A", + "sequence": "EVQLVQSGEEVKKPGESLKISCKGSGYKFSSYWIGWVRQMPGKGLEWMGIIFPGDSDKRYSPSFQGQVTISADKSISTVYLQWSSLKASDTAMYYCARHITTHTYRGFFDFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK", + "modifications": [], + "unpairedMsa": null, + "pairedMsa": null, + "templates": null + } + }, + { + "protein": { + "id": "B", + "sequence": "QLTQSPSSLSASVGDRVTITCRASQDISSALAWYQQKPGKAPKLLIYDVSSLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFNGYPHRLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE", + "modifications": [], + "unpairedMsa": null, + "pairedMsa": null, + "templates": null + } + }, + { + "protein": { + "id": "C", + "sequence": "SLDEKNSVSVDLPGEMKVLVSKEKNKDGKYDLIATVDKLELKGTSDKNNGSGVLEGVKADKSKVKLTISDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGEVSEKIITRADGTRLEYTGIKSDGSGKAKEVLKGYVLEGTLTAEKTTLVVKEGTVTLSKNISKSGEVSVELNDTDSSAATKKTAAWNSGTSTLTITVNSKKTKDLVFTKENTITVQQYDSNGTKLEGSAVEITKLDEIKNALK", + "modifications": [], + "unpairedMsa": null, + "pairedMsa": null, + "templates": null + } + }, + { + "ligand": { + "id": [ + "D", + "E", + "J", + "L", + "M", + "N" + ], + "ccdCodes": [ + "EDO" + ] + } + }, + { + "ligand": { + "id": [ + "F", + "G", + "H", + "I", + "K", + "O", + "P" + ], + "ccdCodes": [ + "CL" + ] + } + } + ], + "modelSeeds": [ + "42", + "66", + "101", + "2024", + "8888" + ], + "userCCD": null + }, + { + "dialect": "alphafold3", + "version": 2, + "name": "7fwf-assembly1", + "sequences": [ + { + "protein": { + "id": "A", + "sequence": "GSHMCDAFVGTWKLVSSENFDDYMKELGVGFATRKMGGMAKPNCIISVNGDVITIKTESTLKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVQVQKWDGKSTTIKRKREDDKLVVECVMKGVTCTRVYERA", + "modifications": [], + "unpairedMsa": null, + "pairedMsa": null, + "templates": null + } + }, + { + "ligand": { + "id": [ + "B", + "C", + "E" + ], + "ccdCodes": [ + "DMS" + ] + } + }, + { + "ligand": { + "id": "D", + "ccdCodes": [ + "MQF" + ] + } + } + ], + "modelSeeds": [ + "42", + "66", + "101", + "2024", + "8888" + ], + "userCCD": null + }, + { + "dialect": "alphafold3", + "version": 2, + "name": "5sbj-assembly1", + "sequences": [ + { + "protein": { + "id": "A", + "sequence": "XYCSDCGADASQVRGGYCTNCGASADRIRX", + "modifications": [ + { + "ptmType": "ACE", + "ptmPosition": 1 + }, + { + "ptmType": "AIB", + "ptmPosition": 10 + }, + { + "ptmType": "AIB", + "ptmPosition": 25 + }, + { + "ptmType": "NH2", + "ptmPosition": 30 + } + ], + "unpairedMsa": null, + "pairedMsa": null, + "templates": null + } + }, + { + "ligand": { + "id": "B", + "ccdCodes": [ + "CD" + ] + } + } + ], + "modelSeeds": [ + "42", + "66", + "101", + "2024", + "8888" + ], + "userCCD": null + }, + { + "dialect": "alphafold3", + "version": 2, + "name": "8e3r-assembly1", + "sequences": [ + { + "dna": { + "id": "A", + "sequence": "AATAAAAGGAAGTGGG", + "modifications": [] + } + }, + { + "dna": { + "id": "B", + "sequence": "TCCCACTTCCTTTTAT", + "modifications": [] + } + }, + { + "protein": { + "id": "C", + "sequence": 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+8e3r-assembly1,A,C,42,4,0.978127896785736,./examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4_postprocessed.cif,,,,0,0.899,0.939,0.873,2.479 diff --git a/benchmarks/FoldBench/examples/outputs/evaluation/Protenix/raw/interface_protein_ligand_ost.csv b/benchmarks/FoldBench/examples/outputs/evaluation/Protenix/raw/interface_protein_ligand_ost.csv new file mode 100644 index 0000000000000000000000000000000000000000..c0fd55fd64b0ce7760ab89292882056a198eede1 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/evaluation/Protenix/raw/interface_protein_ligand_ost.csv @@ -0,0 +1,6 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2,seed,sample,ranking_score,prediction_path,rmsd,lddt-lp,lddt-pli +7fwf-assembly1,A,D,42,0,0.9773752689361572,./examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0_postprocessed.cif,0.7118664383888245,0.9637357937186851,0.9188432693481445 +7fwf-assembly1,A,D,42,1,0.9766969680786132,./examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1_postprocessed.cif,0.6980211138725281,0.960191861175608,0.9183768630027771 +7fwf-assembly1,A,D,42,2,0.9764403104782104,./examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2_postprocessed.cif,0.7282251715660095,0.9617194183062446,0.9127798676490784 +7fwf-assembly1,A,D,42,3,0.9747785329818726,./examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3_postprocessed.cif,0.7008622288703918,0.9635524868630087,0.9155783653259277 +7fwf-assembly1,A,D,42,4,0.97437185049057,./examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4_postprocessed.cif,0.7229023575782776,0.9676768911157277,0.9151119589805603 diff --git a/benchmarks/FoldBench/examples/outputs/evaluation/Protenix/raw/monomer_protein_ost.csv b/benchmarks/FoldBench/examples/outputs/evaluation/Protenix/raw/monomer_protein_ost.csv new file mode 100644 index 0000000000000000000000000000000000000000..0ebdf71c853482614bb170733102d8a231c8e002 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/evaluation/Protenix/raw/monomer_protein_ost.csv @@ -0,0 +1,6 @@ +pdb_id,chain_id,seed,sample,ranking_score,prediction_path,dockq_score,irmsd,lrmsd,len_dockq,lddt,tm_score,gdt_ts,rmsd +5sbj-assembly1,A,42,1,0.9090129137039183,./examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1_postprocessed.cif,,,,0,0.761,0.572,0.83,1.624 +5sbj-assembly1,A,42,0,0.9198831915855408,./examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0_postprocessed.cif,,,,0,0.745,0.569,0.83,1.746 +5sbj-assembly1,A,42,2,0.9024255275726318,./examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2_postprocessed.cif,,,,0,0.736,0.559,0.821,1.811 +5sbj-assembly1,A,42,3,0.8994913101196289,./examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3_postprocessed.cif,,,,0,0.767,0.569,0.848,1.63 +5sbj-assembly1,A,42,4,0.83572918176651,./examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4_postprocessed.cif,,,,0,0.734,0.579,0.839,1.695 diff --git a/benchmarks/FoldBench/examples/outputs/input/Protenix/inputs-add-msa.json b/benchmarks/FoldBench/examples/outputs/input/Protenix/inputs-add-msa.json new file mode 100644 index 0000000000000000000000000000000000000000..98ca576ac8687b9268b1af2ab0b7a598b7d11b97 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/input/Protenix/inputs-add-msa.json @@ -0,0 +1,149 @@ +[ + { + "name": "8tuz-assembly1", + "sequences": [ + { + "proteinChain": { + "sequence": "EVQLVQSGEEVKKPGESLKISCKGSGYKFSSYWIGWVRQMPGKGLEWMGIIFPGDSDKRYSPSFQGQVTISADKSISTVYLQWSSLKASDTAMYYCARHITTHTYRGFFDFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK", + "count": 1, + "modifications": [], + "msa": { + "precomputed_msa_dir": "/algo/outputs/prediction/Protenix/msa_seq_0/0", + "pairing_db": "uniref100" + } + } + }, + { + "proteinChain": { + "sequence": "QLTQSPSSLSASVGDRVTITCRASQDISSALAWYQQKPGKAPKLLIYDVSSLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFNGYPHRLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE", + "count": 1, + "modifications": [], + "msa": { + "precomputed_msa_dir": "/algo/outputs/prediction/Protenix/msa_seq_0/1", + "pairing_db": "uniref100" + } + } + }, + { + "proteinChain": { + "sequence": "SLDEKNSVSVDLPGEMKVLVSKEKNKDGKYDLIATVDKLELKGTSDKNNGSGVLEGVKADKSKVKLTISDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGEVSEKIITRADGTRLEYTGIKSDGSGKAKEVLKGYVLEGTLTAEKTTLVVKEGTVTLSKNISKSGEVSVELNDTDSSAATKKTAAWNSGTSTLTITVNSKKTKDLVFTKENTITVQQYDSNGTKLEGSAVEITKLDEIKNALK", + "count": 1, + "modifications": [], + "msa": { + "precomputed_msa_dir": "/algo/outputs/prediction/Protenix/msa_seq_0/2", + "pairing_db": "uniref100" + } + } + }, + { + "ligand": { + "ligand": "CCD_EDO", + "count": 6 + } + }, + { + "ligand": { + "ligand": "CCD_CL", + "count": 7 + } + } + ] + }, + { + "name": "7fwf-assembly1", + "sequences": [ + { + "proteinChain": { + "sequence": "GSHMCDAFVGTWKLVSSENFDDYMKELGVGFATRKMGGMAKPNCIISVNGDVITIKTESTLKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVQVQKWDGKSTTIKRKREDDKLVVECVMKGVTCTRVYERA", + "count": 1, + "modifications": [], + "msa": { + "precomputed_msa_dir": "/algo/outputs/prediction/Protenix/msa_seq_1/0", + "pairing_db": "uniref100" + } + } + }, + { + "ligand": { + "ligand": "CCD_DMS", + "count": 3 + } + }, + { + "ligand": { + "ligand": "CCD_MQF", + "count": 1 + } + } + ] + }, + { + "name": "5sbj-assembly1", + "sequences": [ + { + "proteinChain": { + "sequence": "XYCSDCGADASQVRGGYCTNCGASADRIRX", + "count": 1, + "modifications": [ + { + "ptmType": "CCD_ACE", + "ptmPosition": 1 + }, + { + "ptmType": "CCD_AIB", + "ptmPosition": 10 + }, + { + "ptmType": "CCD_AIB", + "ptmPosition": 25 + }, + { + "ptmType": "CCD_NH2", + "ptmPosition": 30 + } + ], + "msa": { + "precomputed_msa_dir": "/algo/outputs/prediction/Protenix/msa_seq_2/0", + "pairing_db": "uniref100" + } + } + }, + { + "ligand": { + "ligand": "CCD_CD", + "count": 1 + } + } + ] + }, + { + "name": "8e3r-assembly1", + "sequences": [ + { + "dnaSequence": { + "sequence": "AATAAAAGGAAGTGGG", + "count": 1, + "modifications": [] + } + }, + { + "dnaSequence": { + "sequence": "TCCCACTTCCTTTTAT", + "count": 1, + "modifications": [] + } + }, + { + "proteinChain": { + "sequence": "GSKKKIRLYQFLLDLLRSGDMKDSIWWVDKDKGTFQFSSKHKEALAHRWGIQKGNRKKMTYQKMARALRNYGKTGEVKKVKKKLTYQFSGEVLGRGGLAERRHPPH", + "count": 1, + "modifications": [], + "msa": { + "precomputed_msa_dir": "/algo/outputs/prediction/Protenix/msa_seq_3/0", + "pairing_db": "uniref100" + } + } + } + ] + } +] \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/input/Protenix/inputs.json b/benchmarks/FoldBench/examples/outputs/input/Protenix/inputs.json new file mode 100644 index 0000000000000000000000000000000000000000..a4f1fd52473824c3cb39c7a763168b8d5c79a793 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/input/Protenix/inputs.json @@ -0,0 +1,125 @@ +[ + { + "name": "8tuz-assembly1", + "sequences": [ + { + "proteinChain": { + "sequence": "EVQLVQSGEEVKKPGESLKISCKGSGYKFSSYWIGWVRQMPGKGLEWMGIIFPGDSDKRYSPSFQGQVTISADKSISTVYLQWSSLKASDTAMYYCARHITTHTYRGFFDFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK", + "count": 1, + "modifications": [] + } + }, + { + "proteinChain": { + "sequence": "QLTQSPSSLSASVGDRVTITCRASQDISSALAWYQQKPGKAPKLLIYDVSSLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFNGYPHRLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE", + "count": 1, + "modifications": [] + } + }, + { + "proteinChain": { + "sequence": "SLDEKNSVSVDLPGEMKVLVSKEKNKDGKYDLIATVDKLELKGTSDKNNGSGVLEGVKADKSKVKLTISDDLGQTTLEVFKEDGKTLVSKKVTSKDKSSTEEKFNEKGEVSEKIITRADGTRLEYTGIKSDGSGKAKEVLKGYVLEGTLTAEKTTLVVKEGTVTLSKNISKSGEVSVELNDTDSSAATKKTAAWNSGTSTLTITVNSKKTKDLVFTKENTITVQQYDSNGTKLEGSAVEITKLDEIKNALK", + "count": 1, + "modifications": [] + } + }, + { + "ligand": { + "ligand": "CCD_EDO", + "count": 6 + } + }, + { + "ligand": { + "ligand": "CCD_CL", + "count": 7 + } + } + ] + }, + { + "name": "7fwf-assembly1", + "sequences": [ + { + "proteinChain": { + "sequence": "GSHMCDAFVGTWKLVSSENFDDYMKELGVGFATRKMGGMAKPNCIISVNGDVITIKTESTLKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVQVQKWDGKSTTIKRKREDDKLVVECVMKGVTCTRVYERA", + "count": 1, + "modifications": [] + } + }, + { + "ligand": { + "ligand": "CCD_DMS", + "count": 3 + } + }, + { + "ligand": { + "ligand": "CCD_MQF", + "count": 1 + } + } + ] + }, + { + "name": "5sbj-assembly1", + "sequences": [ + { + "proteinChain": { + "sequence": "XYCSDCGADASQVRGGYCTNCGASADRIRX", + "count": 1, + "modifications": [ + { + "ptmType": "CCD_ACE", + "ptmPosition": 1 + }, + { + "ptmType": "CCD_AIB", + "ptmPosition": 10 + }, + { + "ptmType": "CCD_AIB", + "ptmPosition": 25 + }, + { + "ptmType": "CCD_NH2", + "ptmPosition": 30 + } + ] + } + }, + { + "ligand": { + "ligand": "CCD_CD", + "count": 1 + } + } + ] + }, + { + "name": "8e3r-assembly1", + "sequences": [ + { + "dnaSequence": { + "sequence": "AATAAAAGGAAGTGGG", + "count": 1, + "modifications": [] + } + }, + { + "dnaSequence": { + "sequence": "TCCCACTTCCTTTTAT", + "count": 1, + "modifications": [] + } + }, + { + "proteinChain": { + "sequence": "GSKKKIRLYQFLLDLLRSGDMKDSIWWVDKDKGTFQFSSKHKEALAHRWGIQKGNRKKMTYQKMARALRNYGKTGEVKKVKKKLTYQFSGEVLGRGGLAERRHPPH", + "count": 1, + "modifications": [] + } + } + ] + } +] \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0.cif new file mode 100644 index 0000000000000000000000000000000000000000..afbd82aec7df3e09028b7fa182c8f89e87b3ef2c --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0.cif @@ -0,0 +1,313 @@ +data_5sbj-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 96.48 0.21057412 1.1545033 -6.3680134 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 92.97 1.3788505 1.1308517 -6.3256564 1 2 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 91.8 -0.60422575 0.41788656 -7.3001595 1 3 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 98.05 -0.11661829 1.6457615 -5.180974 1 4 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 98.05 0.4009537 1.9154954 -3.9059916 1 5 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 98.44 -0.51328206 1.3815305 -2.836462 1 6 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 98.05 -1.7064874 1.1632228 -3.0636904 1 7 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 98.05 0.6694357 3.3939085 -3.760251 1 8 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 97.27 -0.5684997 4.237916 -3.5901866 1 9 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 96.88 -1.2440169 4.7456646 -4.6840744 1 10 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 96.88 -1.036075 4.5581055 -2.3282983 1 11 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 96.09 -2.3602474 5.53638 -4.5289583 1 12 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 95.7 -2.1548362 5.3507195 -2.1710575 1 13 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 96.09 -2.806045 5.8294077 -3.270773 1 14 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 94.92 -3.908979 6.606675 -3.1128426 1 15 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 98.83 0.022265173 1.1860936 -1.6832418 1 16 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 98.83 -0.7284305 0.7187226 -0.5357127 1 17 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 98.44 -1.270653 1.9104421 0.2457517 1 18 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 98.83 -0.49556485 2.7438881 0.71941733 1 19 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 98.44 0.16876778 -0.13381542 0.36657053 1 20 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 98.44 -0.659453 -0.6776329 1.854286 1 21 +ATOM N N . SER A0 1 4 . 4 SER A0 N 98.44 -2.5851128 1.9724011 0.37864557 1 22 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 98.44 -3.2165964 3.0586758 1.1301483 1 23 +ATOM C C . SER A0 1 4 . 4 SER A0 C 98.44 -2.8892822 3.0065742 2.6173768 1 24 +ATOM O O . SER A0 1 4 . 4 SER A0 O 98.05 -2.9702997 4.030863 3.3004122 1 25 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 98.05 -4.7326574 3.0103545 0.9461919 1 26 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 95.7 -5.088418 3.1725068 -0.41618374 1 27 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 98.83 -2.530405 1.8431028 3.1198578 1 28 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 98.44 -2.2386632 1.7166312 4.5489593 1 29 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 98.44 -0.85404056 2.2330952 4.933816 1 30 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 98.44 -0.7074402 2.9024367 5.955649 1 31 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 98.44 -2.3648493 0.25641483 4.9886713 1 32 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 98.05 -3.8138847 -0.19252294 5.1251335 1 33 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 96.88 -4.728567 0.64947534 5.027033 1 34 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 96.48 -4.030709 -1.4077548 5.338082 1 35 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 98.44 0.15997669 1.9103711 4.1406655 1 36 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 98.44 1.5204026 2.2713985 4.5334063 1 37 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 98.44 2.2620354 3.133872 3.5201807 1 38 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 98.44 3.3815918 3.5669892 3.7902622 1 39 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 98.44 2.343049 1.009054 4.8180947 1 40 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 98.05 2.782692 0.042028263 3.3760571 1 41 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 98.83 1.656688 3.4163556 2.3604136 1 42 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 98.44 2.283383 4.264305 1.3657132 1 43 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 98.44 3.3045902 3.58177 0.4840989 1 44 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 98.44 3.9699259 4.253219 -0.30585825 1 45 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 98.44 3.4246514 2.2639704 0.5835867 1 46 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 98.83 4.3601537 1.5420597 -0.26489988 1 47 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 98.83 3.9996095 1.7939036 -1.722464 1 48 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 98.44 2.8158514 1.8702941 -2.0667892 1 49 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 98.44 4.314754 0.052176416 0.04280652 1 50 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 98.44 4.9950123 1.8980353 -2.5995526 1 51 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 98.44 4.748911 2.1806111 -4.0013075 1 52 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 98.44 4.9373064 0.95331645 -4.8645024 1 53 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 98.44 5.0876207 -0.16573521 -4.3623695 1 54 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 98.05 5.6079674 3.3578987 -4.481127 1 55 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 97.27 7.0991106 3.1167083 -4.390005 1 56 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 96.09 7.534851 1.945395 -4.3643384 1 57 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 95.31 7.844589 4.111993 -4.3664093 1 58 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 98.05 4.92645 1.1768234 -6.168439 1 59 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 98.44 5.0187607 0.10158583 -7.152071 1 60 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 98.44 6.097641 -0.9631305 -6.869445 1 61 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 98.05 5.9605927 -2.1057239 -7.214181 1 62 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 98.05 3.707984 -0.6323337 -7.515918 1 63 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 97.66 5.5822096 0.8132356 -8.564512 1 64 +ATOM N N . SER A0 1 11 . 11 SER A0 N 98.44 7.152753 -0.6387471 -6.2738395 1 65 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 98.44 8.209291 -1.5891172 -6.0025 1 66 +ATOM C C . SER A0 1 11 . 11 SER A0 C 98.44 7.828276 -2.5515385 -4.892795 1 67 +ATOM O O . SER A0 1 11 . 11 SER A0 O 98.05 8.44125 -3.6141229 -4.758624 1 68 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 98.05 9.516743 -0.8687475 -5.659524 1 69 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 94.92 9.432515 -0.221122 -4.4098587 1 70 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 98.83 6.7980337 -2.2037528 -4.1057415 1 71 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 98.83 6.4021635 -3.0108943 -2.9612043 1 72 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 98.83 4.9558964 -3.4850922 -3.0318437 1 73 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 98.44 4.46418 -4.0803137 -2.070113 1 74 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 98.44 6.6140947 -2.1985383 -1.6764311 1 75 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 98.05 8.065172 -1.8365836 -1.4352455 1 76 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 97.66 8.2155075 -0.6007979 -0.58928126 1 77 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 94.92 7.612603 0.4352926 -0.8671856 1 78 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 94.14 9.012394 -0.699087 0.4447322 1 79 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 98.83 4.2693458 -3.2136707 -4.152977 1 80 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 98.83 2.8950462 -3.6429303 -4.356391 1 81 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 98.44 2.8885527 -4.559275 -5.569688 1 82 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 98.05 3.221579 -4.1375275 -6.675661 1 83 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 98.44 1.9484645 -2.4427652 -4.5572515 1 84 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 98.05 0.5575448 -2.9309006 -4.9302206 1 85 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 98.05 1.9048046 -1.5993618 -3.292008 1 86 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 98.44 2.5274687 -5.8102064 -5.3736696 1 87 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 98.44 2.6418424 -6.8353767 -6.402974 1 88 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 98.44 1.4125613 -7.741055 -6.392847 1 89 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 98.05 1.0658987 -8.300091 -5.3582783 1 90 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 98.05 3.908608 -7.674426 -6.1709924 1 91 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 95.31 5.152208 -6.839137 -6.206623 1 92 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 92.97 6.3824053 -7.6021433 -5.7423024 1 93 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 90.23 7.5084867 -6.699672 -5.6354723 1 94 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 89.06 8.626997 -6.969094 -5.00853 1 95 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 83.98 9.587616 -6.0622234 -4.9572287 1 96 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 83.98 8.79047 -8.1473675 -4.430019 1 97 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 97.66 0.7680893 -7.859275 -7.568991 1 98 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 97.66 -0.37752587 -8.7405 -7.670206 1 99 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 98.05 -1.5108709 -8.360403 -6.7430277 1 100 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 97.27 -2.202772 -9.243681 -6.2264996 1 101 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 97.66 -1.722919 -7.0572367 -6.5332584 1 102 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 98.05 -2.7864058 -6.5864134 -5.675503 1 103 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 98.05 -2.523643 -6.766781 -4.1981244 1 104 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 97.66 -3.4708586 -6.784743 -3.411892 1 105 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 98.44 -1.252537 -6.882411 -3.834159 1 106 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 98.44 -0.8751697 -7.1575594 -2.4515328 1 107 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 98.83 0.31055346 -6.3019576 -2.0522995 1 108 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 98.44 1.2724273 -6.1991415 -2.813327 1 109 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 98.44 -0.5062256 -8.637968 -2.3203175 1 110 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 97.66 -0.6802708 -9.20462 -0.9400925 1 111 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 96.88 -1.9073417 -9.686583 -0.51040065 1 112 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 96.88 0.3853447 -9.274015 -0.059518747 1 113 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 96.09 -2.0787492 -10.215113 0.76117176 1 114 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 96.09 0.21964104 -9.801232 1.2208792 1 115 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 96.09 -1.0166612 -10.268438 1.6143341 1 116 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 94.92 -1.1786015 -10.789795 2.8787327 1 117 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 98.83 0.24256416 -5.6757517 -0.8709728 1 118 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 98.44 1.3769965 -4.9139967 -0.3752268 1 119 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 98.83 2.3577468 -5.8734317 0.28331736 1 120 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 98.44 2.0303469 -6.510941 1.2840006 1 121 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 98.44 0.9223473 -3.8501613 0.63095504 1 122 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 98.05 2.2807674 -2.9586077 1.3841217 1 123 +ATOM N N . THR A0 1 19 . 19 THR A0 N 98.83 3.557208 -5.959655 -0.26887614 1 124 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 98.44 4.5606313 -6.861561 0.27666536 1 125 +ATOM C C . THR A0 1 19 . 19 THR A0 C 98.83 5.2350464 -6.2915144 1.5167533 1 126 +ATOM O O . THR A0 1 19 . 19 THR A0 O 98.05 5.9806743 -7.008107 2.1895423 1 127 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 98.44 5.63417 -7.204662 -0.78190476 1 128 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 97.27 6.343165 -6.0266247 -1.1426393 1 129 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 97.66 4.97841 -7.805152 -2.02741 1 130 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 98.83 4.952296 -5.0133753 1.8265938 1 131 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 98.83 5.521392 -4.3932333 3.0168881 1 132 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 98.44 4.6650186 -4.653496 4.252899 1 133 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 98.05 5.164938 -5.157238 5.261151 1 134 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 98.44 5.6869435 -2.8883882 2.791008 1 135 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 98.05 6.3946776 -2.2148263 3.9424896 1 136 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 96.48 7.4491053 -2.669123 4.369671 1 137 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 95.31 5.8111496 -1.1370294 4.4406385 1 138 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 98.83 3.3635862 -4.3031006 4.1930914 1 139 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 98.44 2.4981804 -4.4420433 5.3590765 1 140 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 98.44 1.4657221 -5.550171 5.23766 1 141 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 98.05 0.772758 -5.84818 6.2122316 1 142 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 98.44 1.7878065 -3.115215 5.660729 1 143 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 98.05 0.47805303 -2.6604862 4.527385 1 144 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 98.44 1.3215911 -6.148386 4.072009 1 145 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 98.44 0.3905578 -7.2413616 3.8754144 1 146 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 98.83 -1.0129762 -6.844241 3.4692686 1 147 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 98.44 -1.8662443 -7.714637 3.3054252 1 148 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 98.44 -1.2752879 -5.5328345 3.2919402 1 149 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 98.83 -2.5985618 -5.0833454 2.8893073 1 150 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 98.44 -2.9211726 -5.622509 1.4988173 1 151 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 98.44 -2.039583 -5.8173532 0.6724949 1 152 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 98.44 -2.676703 -3.562002 2.8959174 1 153 +ATOM N N . SER A0 1 24 . 24 SER A0 N 98.44 -4.202861 -5.853737 1.2310972 1 154 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 98.44 -4.599657 -6.4029675 -0.060963396 1 155 +ATOM C C . SER A0 1 24 . 24 SER A0 C 98.44 -5.9232597 -5.8326893 -0.52694356 1 156 +ATOM O O . SER A0 1 24 . 24 SER A0 O 98.05 -6.6127434 -5.116702 0.19331013 1 157 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 98.05 -4.7036257 -7.9310665 0.023298249 1 158 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 96.88 -5.7101474 -8.302343 0.9462882 1 159 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 98.05 -6.2770004 -6.170409 -1.6389115 1 160 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 97.66 -7.386549 -5.781353 -2.4340396 1 161 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 97.66 -7.823552 -4.3834414 -2.1882868 1 162 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 97.27 -7.242225 -3.4517035 -2.675684 1 163 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 97.27 -6.783594 -5.6943417 -4.014991 1 164 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 96.88 -8.513894 -6.9106874 -2.5299792 1 165 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 97.66 -8.8823185 -4.0307174 -1.478231 1 166 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 97.66 -9.440761 -2.7058382 -1.3867013 1 167 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 98.05 -8.466401 -1.6622016 -0.87685287 1 168 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 97.27 -8.714409 -0.46819726 -1.0601873 1 169 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 96.88 -10.699003 -2.692645 -0.53632903 1 170 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 95.31 -11.867973 -3.3724413 -1.2169268 1 171 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 92.58 -11.875183 -3.4931223 -2.455123 1 172 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 91.8 -12.797647 -3.78105 -0.50744045 1 173 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 98.44 -7.3473396 -2.058541 -0.29986703 1 174 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 98.05 -6.369047 -1.0973845 0.19769824 1 175 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 98.44 -5.2464905 -0.808244 -0.7990973 1 176 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 98.44 -4.3832355 0.02235404 -0.50329226 1 177 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 98.05 -5.7804146 -1.5991251 1.5227879 1 178 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 95.31 -6.8267584 -1.8481286 2.6061664 1 179 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 93.36 -7.711751 -0.65079343 2.859035 1 180 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 90.62 -6.9680204 0.5034931 3.3254485 1 181 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 89.84 -7.4270306 1.747336 3.3486326 1 182 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 84.38 -8.652335 2.0046701 2.9377172 1 183 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 83.98 -6.6569495 2.7202334 3.7996237 1 184 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 98.05 -5.268713 -1.4543244 -1.9639595 1 185 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 98.05 -4.283964 -1.2102392 -3.01272 1 186 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 97.66 -4.9322953 -0.33847064 -4.075885 1 187 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 97.27 -6.019174 -0.65419745 -4.5585823 1 188 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 98.05 -3.7849925 -2.5283785 -3.6298976 1 189 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 96.88 -3.2059174 -3.4282672 -2.5404882 1 190 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 96.48 -2.7739105 -2.252921 -4.7499514 1 191 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 93.36 -2.1002078 -2.8436193 -1.7137003 1 192 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 96.88 -4.2802353 0.7567866 -4.422709 1 193 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 96.48 -4.8497915 1.7379425 -5.3364525 1 194 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 96.48 -4.0191 1.920739 -6.5668654 1 195 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 94.53 -2.8336267 1.9856744 -6.498808 1 196 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 95.31 -4.9874954 3.1011539 -4.6519523 1 197 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 89.84 -5.728492 3.0386848 -3.3394697 1 198 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 84.77 -7.1586576 2.541882 -3.537973 1 199 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 80.08 -7.8513947 2.419757 -2.2691507 1 200 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 75.0 -8.894206 1.6470826 -2.0625668 1 201 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 70.31 -9.439424 1.6027219 -0.86684006 1 202 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 69.53 -9.391146 0.92107904 -3.0550365 1 203 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 88.67 -4.3622675 2.1497507 -7.9032965 1 204 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 78.52 -6.522273 -9.925699 2.917488 1 205 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..86e977c8624c8b55cd32c077d843892e0dc81188 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_0_postprocessed.cif @@ -0,0 +1,320 @@ +data_5sbj-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 0 0.21057412 1.1545033 -6.3680134 1 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 0 1.3788505 1.1308517 -6.3256564 1 2 1 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 0 -0.60422575 0.41788656 -7.3001595 1 3 1 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 0 -0.11661829 1.6457615 -5.180974 1 4 1 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 0 0.4009537 1.9154954 -3.9059916 1 5 1 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 0 -0.51328206 1.3815305 -2.836462 1 6 1 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 0 -1.7064874 1.1632228 -3.0636904 1 7 1 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 0 0.6694357 3.3939085 -3.760251 1 8 1 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 0 -0.5684997 4.237916 -3.5901866 1 9 1 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 0 -1.2440169 4.7456646 -4.6840744 1 10 1 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 0 -1.036075 4.5581055 -2.3282983 1 11 1 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 0 -2.3602474 5.53638 -4.5289583 1 12 1 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 0 -2.1548362 5.3507195 -2.1710575 1 13 1 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 0 -2.806045 5.8294077 -3.270773 1 14 1 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 0 -3.908979 6.606675 -3.1128426 1 15 1 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 0 0.022265173 1.1860936 -1.6832418 1 16 1 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 0 -0.7284305 0.7187226 -0.5357127 1 17 1 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 0 -1.270653 1.9104421 0.2457517 1 18 1 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 0 -0.49556485 2.7438881 0.71941733 1 19 1 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 0 0.16876778 -0.13381542 0.36657053 1 20 1 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 0 -0.659453 -0.6776329 1.854286 1 21 1 +ATOM N N . SER A0 1 4 . 4 SER A0 N 0 -2.5851128 1.9724011 0.37864557 1 22 1 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 0 -3.2165964 3.0586758 1.1301483 1 23 1 +ATOM C C . SER A0 1 4 . 4 SER A0 C 0 -2.8892822 3.0065742 2.6173768 1 24 1 +ATOM O O . SER A0 1 4 . 4 SER A0 O 0 -2.9702997 4.030863 3.3004122 1 25 1 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 0 -4.7326574 3.0103545 0.9461919 1 26 1 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 0 -5.088418 3.1725068 -0.41618374 1 27 1 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 0 -2.530405 1.8431028 3.1198578 1 28 1 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 0 -2.2386632 1.7166312 4.5489593 1 29 1 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 0 -0.85404056 2.2330952 4.933816 1 30 1 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 0 -0.7074402 2.9024367 5.955649 1 31 1 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 0 -2.3648493 0.25641483 4.9886713 1 32 1 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 0 -3.8138847 -0.19252294 5.1251335 1 33 1 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 0 -4.728567 0.64947534 5.027033 1 34 1 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 0 -4.030709 -1.4077548 5.338082 1 35 1 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 0 0.15997669 1.9103711 4.1406655 1 36 1 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 0 1.5204026 2.2713985 4.5334063 1 37 1 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 0 2.2620354 3.133872 3.5201807 1 38 1 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 0 3.3815918 3.5669892 3.7902622 1 39 1 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 0 2.343049 1.009054 4.8180947 1 40 1 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 0 2.782692 0.042028263 3.3760571 1 41 1 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 0 1.656688 3.4163556 2.3604136 1 42 1 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 0 2.283383 4.264305 1.3657132 1 43 1 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 0 3.3045902 3.58177 0.4840989 1 44 1 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 0 3.9699259 4.253219 -0.30585825 1 45 1 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 0 3.4246514 2.2639704 0.5835867 1 46 1 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 0 4.3601537 1.5420597 -0.26489988 1 47 1 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 0 3.9996095 1.7939036 -1.722464 1 48 1 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 0 2.8158514 1.8702941 -2.0667892 1 49 1 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 0 4.314754 0.052176416 0.04280652 1 50 1 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 0 4.9950123 1.8980353 -2.5995526 1 51 1 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 0 4.748911 2.1806111 -4.0013075 1 52 1 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 0 4.9373064 0.95331645 -4.8645024 1 53 1 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 0 5.0876207 -0.16573521 -4.3623695 1 54 1 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 0 5.6079674 3.3578987 -4.481127 1 55 1 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 0 7.0991106 3.1167083 -4.390005 1 56 1 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 0 7.534851 1.945395 -4.3643384 1 57 1 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 0 7.844589 4.111993 -4.3664093 1 58 1 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 0 4.92645 1.1768234 -6.168439 1 59 1 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 0 5.0187607 0.10158583 -7.152071 1 60 1 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 0 6.097641 -0.9631305 -6.869445 1 61 1 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 0 5.9605927 -2.1057239 -7.214181 1 62 1 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 0 3.707984 -0.6323337 -7.515918 1 63 1 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 0 5.5822096 0.8132356 -8.564512 1 64 1 +ATOM N N . SER A0 1 11 . 11 SER A0 N 0 7.152753 -0.6387471 -6.2738395 1 65 1 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 0 8.209291 -1.5891172 -6.0025 1 66 1 +ATOM C C . SER A0 1 11 . 11 SER A0 C 0 7.828276 -2.5515385 -4.892795 1 67 1 +ATOM O O . SER A0 1 11 . 11 SER A0 O 0 8.44125 -3.6141229 -4.758624 1 68 1 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 0 9.516743 -0.8687475 -5.659524 1 69 1 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 0 9.432515 -0.221122 -4.4098587 1 70 1 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 0 6.7980337 -2.2037528 -4.1057415 1 71 1 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 0 6.4021635 -3.0108943 -2.9612043 1 72 1 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 0 4.9558964 -3.4850922 -3.0318437 1 73 1 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 0 4.46418 -4.0803137 -2.070113 1 74 1 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 0 6.6140947 -2.1985383 -1.6764311 1 75 1 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 0 8.065172 -1.8365836 -1.4352455 1 76 1 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 0 8.2155075 -0.6007979 -0.58928126 1 77 1 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 0 7.612603 0.4352926 -0.8671856 1 78 1 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 0 9.012394 -0.699087 0.4447322 1 79 1 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 0 4.2693458 -3.2136707 -4.152977 1 80 1 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 0 2.8950462 -3.6429303 -4.356391 1 81 1 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 0 2.8885527 -4.559275 -5.569688 1 82 1 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 0 3.221579 -4.1375275 -6.675661 1 83 1 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 0 1.9484645 -2.4427652 -4.5572515 1 84 1 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 0 0.5575448 -2.9309006 -4.9302206 1 85 1 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 0 1.9048046 -1.5993618 -3.292008 1 86 1 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 0 2.5274687 -5.8102064 -5.3736696 1 87 1 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 0 2.6418424 -6.8353767 -6.402974 1 88 1 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 0 1.4125613 -7.741055 -6.392847 1 89 1 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 0 1.0658987 -8.300091 -5.3582783 1 90 1 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 0 3.908608 -7.674426 -6.1709924 1 91 1 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 0 5.152208 -6.839137 -6.206623 1 92 1 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 0 6.3824053 -7.6021433 -5.7423024 1 93 1 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 0 7.5084867 -6.699672 -5.6354723 1 94 1 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 0 8.626997 -6.969094 -5.00853 1 95 1 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 0 9.587616 -6.0622234 -4.9572287 1 96 1 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 0 8.79047 -8.1473675 -4.430019 1 97 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 0.7680893 -7.859275 -7.568991 1 98 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -0.37752587 -8.7405 -7.670206 1 99 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -1.5108709 -8.360403 -6.7430277 1 100 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -2.202772 -9.243681 -6.2264996 1 101 1 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 0 -1.722919 -7.0572367 -6.5332584 1 102 1 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 0 -2.7864058 -6.5864134 -5.675503 1 103 1 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 0 -2.523643 -6.766781 -4.1981244 1 104 1 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 0 -3.4708586 -6.784743 -3.411892 1 105 1 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 0 -1.252537 -6.882411 -3.834159 1 106 1 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 0 -0.8751697 -7.1575594 -2.4515328 1 107 1 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 0 0.31055346 -6.3019576 -2.0522995 1 108 1 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 0 1.2724273 -6.1991415 -2.813327 1 109 1 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 0 -0.5062256 -8.637968 -2.3203175 1 110 1 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 0 -0.6802708 -9.20462 -0.9400925 1 111 1 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 0 -1.9073417 -9.686583 -0.51040065 1 112 1 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 0 0.3853447 -9.274015 -0.059518747 1 113 1 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 0 -2.0787492 -10.215113 0.76117176 1 114 1 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 0 0.21964104 -9.801232 1.2208792 1 115 1 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 0 -1.0166612 -10.268438 1.6143341 1 116 1 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 0 -1.1786015 -10.789795 2.8787327 1 117 1 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 0 0.24256416 -5.6757517 -0.8709728 1 118 1 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 0 1.3769965 -4.9139967 -0.3752268 1 119 1 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 0 2.3577468 -5.8734317 0.28331736 1 120 1 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 0 2.0303469 -6.510941 1.2840006 1 121 1 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 0 0.9223473 -3.8501613 0.63095504 1 122 1 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 0 2.2807674 -2.9586077 1.3841217 1 123 1 +ATOM N N . THR A0 1 19 . 19 THR A0 N 0 3.557208 -5.959655 -0.26887614 1 124 1 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 0 4.5606313 -6.861561 0.27666536 1 125 1 +ATOM C C . THR A0 1 19 . 19 THR A0 C 0 5.2350464 -6.2915144 1.5167533 1 126 1 +ATOM O O . THR A0 1 19 . 19 THR A0 O 0 5.9806743 -7.008107 2.1895423 1 127 1 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 0 5.63417 -7.204662 -0.78190476 1 128 1 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 0 6.343165 -6.0266247 -1.1426393 1 129 1 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 0 4.97841 -7.805152 -2.02741 1 130 1 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 0 4.952296 -5.0133753 1.8265938 1 131 1 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 0 5.521392 -4.3932333 3.0168881 1 132 1 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 0 4.6650186 -4.653496 4.252899 1 133 1 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 0 5.164938 -5.157238 5.261151 1 134 1 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 0 5.6869435 -2.8883882 2.791008 1 135 1 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 0 6.3946776 -2.2148263 3.9424896 1 136 1 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 0 7.4491053 -2.669123 4.369671 1 137 1 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 0 5.8111496 -1.1370294 4.4406385 1 138 1 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 0 3.3635862 -4.3031006 4.1930914 1 139 1 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 0 2.4981804 -4.4420433 5.3590765 1 140 1 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 0 1.4657221 -5.550171 5.23766 1 141 1 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 0 0.772758 -5.84818 6.2122316 1 142 1 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 0 1.7878065 -3.115215 5.660729 1 143 1 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 0 0.47805303 -2.6604862 4.527385 1 144 1 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 0 1.3215911 -6.148386 4.072009 1 145 1 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 0 0.3905578 -7.2413616 3.8754144 1 146 1 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 0 -1.0129762 -6.844241 3.4692686 1 147 1 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 0 -1.8662443 -7.714637 3.3054252 1 148 1 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 0 -1.2752879 -5.5328345 3.2919402 1 149 1 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 0 -2.5985618 -5.0833454 2.8893073 1 150 1 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 0 -2.9211726 -5.622509 1.4988173 1 151 1 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 0 -2.039583 -5.8173532 0.6724949 1 152 1 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 0 -2.676703 -3.562002 2.8959174 1 153 1 +ATOM N N . SER A0 1 24 . 24 SER A0 N 0 -4.202861 -5.853737 1.2310972 1 154 1 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 0 -4.599657 -6.4029675 -0.060963396 1 155 1 +ATOM C C . SER A0 1 24 . 24 SER A0 C 0 -5.9232597 -5.8326893 -0.52694356 1 156 1 +ATOM O O . SER A0 1 24 . 24 SER A0 O 0 -6.6127434 -5.116702 0.19331013 1 157 1 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 0 -4.7036257 -7.9310665 0.023298249 1 158 1 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 0 -5.7101474 -8.302343 0.9462882 1 159 1 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 0 -6.2770004 -6.170409 -1.6389115 1 160 1 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 0 -7.386549 -5.781353 -2.4340396 1 161 1 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 0 -7.823552 -4.3834414 -2.1882868 1 162 1 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 0 -7.242225 -3.4517035 -2.675684 1 163 1 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 0 -6.783594 -5.6943417 -4.014991 1 164 1 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 0 -8.513894 -6.9106874 -2.5299792 1 165 1 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 0 -8.8823185 -4.0307174 -1.478231 1 166 1 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 0 -9.440761 -2.7058382 -1.3867013 1 167 1 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 0 -8.466401 -1.6622016 -0.87685287 1 168 1 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 0 -8.714409 -0.46819726 -1.0601873 1 169 1 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 0 -10.699003 -2.692645 -0.53632903 1 170 1 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 0 -11.867973 -3.3724413 -1.2169268 1 171 1 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 0 -11.875183 -3.4931223 -2.455123 1 172 1 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 0 -12.797647 -3.78105 -0.50744045 1 173 1 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 0 -7.3473396 -2.058541 -0.29986703 1 174 1 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 0 -6.369047 -1.0973845 0.19769824 1 175 1 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 0 -5.2464905 -0.808244 -0.7990973 1 176 1 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 0 -4.3832355 0.02235404 -0.50329226 1 177 1 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 0 -5.7804146 -1.5991251 1.5227879 1 178 1 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 0 -6.8267584 -1.8481286 2.6061664 1 179 1 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 0 -7.711751 -0.65079343 2.859035 1 180 1 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 0 -6.9680204 0.5034931 3.3254485 1 181 1 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 0 -7.4270306 1.747336 3.3486326 1 182 1 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 0 -8.652335 2.0046701 2.9377172 1 183 1 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 0 -6.6569495 2.7202334 3.7996237 1 184 1 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 0 -5.268713 -1.4543244 -1.9639595 1 185 1 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 0 -4.283964 -1.2102392 -3.01272 1 186 1 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 0 -4.9322953 -0.33847064 -4.075885 1 187 1 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 0 -6.019174 -0.65419745 -4.5585823 1 188 1 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 0 -3.7849925 -2.5283785 -3.6298976 1 189 1 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 0 -3.2059174 -3.4282672 -2.5404882 1 190 1 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 0 -2.7739105 -2.252921 -4.7499514 1 191 1 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 0 -2.1002078 -2.8436193 -1.7137003 1 192 1 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 0 -4.2802353 0.7567866 -4.422709 1 193 1 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 0 -4.8497915 1.7379425 -5.3364525 1 194 1 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 0 -4.0191 1.920739 -6.5668654 1 195 1 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 0 -2.8336267 1.9856744 -6.498808 1 196 1 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 0 -4.9874954 3.1011539 -4.6519523 1 197 1 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 0 -5.728492 3.0386848 -3.3394697 1 198 1 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 0 -7.1586576 2.541882 -3.537973 1 199 1 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 0 -7.8513947 2.419757 -2.2691507 1 200 1 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 0 -8.894206 1.6470826 -2.0625668 1 201 1 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 0 -9.439424 1.6027219 -0.86684006 1 202 1 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 0 -9.391146 0.92107904 -3.0550365 1 203 1 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 0 -4.3622675 2.1497507 -7.9032965 1 204 1 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 0 -6.522273 -9.925699 2.917488 1 205 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1.cif new file mode 100644 index 0000000000000000000000000000000000000000..64dd7503b8c0523d901a57659ccc3811145851b9 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1.cif @@ -0,0 +1,313 @@ +data_5sbj-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 96.09 -0.7569964 5.8345957 -3.9131439 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 92.58 0.071307845 5.731429 -4.759326 1 2 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 91.8 -2.153687 5.4519024 -3.970733 1 3 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 97.66 -0.08060321 6.092312 -2.81349 1 4 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 98.05 1.1925393 5.9939137 -2.233516 1 5 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 97.66 1.1105896 5.389962 -0.8558187 1 6 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 97.66 0.062027156 5.4175982 -0.2089713 1 7 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 97.27 1.8696362 7.340872 -2.2308822 1 8 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 96.48 1.3078631 8.318464 -1.2279615 1 9 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 95.31 0.27390346 9.16793 -1.5636423 1 10 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 95.31 1.8403414 8.411171 0.044635363 1 11 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 94.53 -0.2265408 10.076958 -0.6559764 1 12 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 94.14 1.3415086 9.319189 0.9540152 1 13 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 94.14 0.31490064 10.143816 0.5959457 1 14 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 93.75 -0.1719031 11.038473 1.4946568 1 15 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 98.44 2.1849885 4.863696 -0.408921 1 16 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 98.44 2.296434 4.275822 0.9126667 1 17 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 98.05 2.7991571 5.3160152 1.906342 1 18 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 98.05 3.89606 5.8506107 1.7421813 1 19 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 98.44 3.2511573 3.0816245 0.8777349 1 20 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 98.05 3.5229206 2.3543973 2.4849026 1 21 +ATOM N N . SER A0 1 4 . 4 SER A0 N 98.44 1.9857731 5.593765 2.9287465 1 22 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 98.05 2.37046 6.5579653 3.9551272 1 23 +ATOM C C . SER A0 1 4 . 4 SER A0 C 98.05 3.5094144 6.0554795 4.8366346 1 24 +ATOM O O . SER A0 1 4 . 4 SER A0 O 98.05 4.1797 6.866324 5.4874487 1 25 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 98.05 1.1700356 6.9058733 4.82885 1 26 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 95.31 0.13739946 7.5009966 4.0641165 1 27 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 98.44 3.7227592 4.7549896 4.8645997 1 28 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 98.05 4.7948427 4.208354 5.6965823 1 29 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 98.05 6.1812673 4.4155645 5.089113 1 30 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 98.05 7.1333456 4.701955 5.811098 1 31 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 98.05 4.580103 2.716274 5.9445767 1 32 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 97.27 3.5563776 2.4485686 7.036521 1 33 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 96.48 3.0458066 3.4119394 7.644272 1 34 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 96.09 3.2679887 1.2572945 7.287056 1 35 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 98.05 6.2886972 4.2337165 3.7822528 1 36 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 98.05 7.614545 4.2753344 3.1698365 1 37 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 98.44 7.7274075 5.2248764 1.987854 1 38 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 98.05 8.824339 5.3964205 1.4450873 1 39 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 98.44 8.048886 2.873846 2.734032 1 40 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 98.05 7.1548553 2.2133555 1.3254641 1 41 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 98.44 6.615945 5.8688865 1.5778222 1 42 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 98.44 6.6478186 6.819763 0.48453435 1 43 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 98.44 6.6276026 6.210911 -0.89612657 1 44 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 98.05 6.763687 6.9398394 -1.8831083 1 45 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 98.44 6.4251165 4.8989506 -0.9886927 1 46 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 98.05 6.3223276 4.2646413 -2.2902136 1 47 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 98.44 5.1497555 4.857332 -3.0609746 1 48 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 98.05 4.120664 5.1909614 -2.4715388 1 49 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 98.05 6.161391 2.7592964 -2.1328135 1 50 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 98.05 5.267811 4.964833 -4.379368 1 51 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 98.05 4.2263403 5.549661 -5.1984925 1 52 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 98.05 3.5002584 4.5060034 -6.016104 1 53 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 97.66 3.6574783 3.3009806 -5.7967587 1 54 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 97.66 4.792486 6.6759624 -6.0734177 1 55 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 96.88 5.8601837 6.224193 -7.049055 1 56 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 95.31 5.887192 5.033059 -7.4175587 1 57 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 94.92 6.6695824 7.072152 -7.457933 1 58 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 97.66 2.6842976 4.9677415 -6.9591455 1 59 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 97.66 1.8728287 4.1114454 -7.7922564 1 60 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 97.27 2.590498 2.9061604 -8.388067 1 61 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 96.88 2.0261905 1.8594996 -8.641749 1 62 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 97.27 0.483253 3.6384435 -7.245864 1 63 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 96.88 1.515357 4.9667544 -9.191912 1 64 +ATOM N N . SER A0 1 11 . 11 SER A0 N 98.44 3.8201337 3.0411997 -8.620737 1 65 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 98.05 4.595393 1.9664559 -9.199268 1 66 +ATOM C C . SER A0 1 11 . 11 SER A0 C 98.05 4.806208 0.82903445 -8.2163925 1 67 +ATOM O O . SER A0 1 11 . 11 SER A0 O 98.05 5.1563187 -0.27837646 -8.629456 1 68 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 97.66 5.9440928 2.4808013 -9.712832 1 69 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 94.92 6.8034534 2.826597 -8.64822 1 70 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 98.44 4.551901 1.0752892 -6.9171853 1 71 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 98.44 4.761137 0.058609452 -5.899044 1 72 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 98.44 3.5241156 -0.17116877 -5.031667 1 73 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 98.44 3.6273322 -0.82222986 -3.9915767 1 74 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 98.05 5.9493284 0.45980448 -5.010956 1 75 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 97.66 7.2658916 0.4642134 -5.7609043 1 76 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 96.88 8.112224 1.6768887 -5.450595 1 77 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 94.14 7.652567 2.6522255 -4.865514 1 78 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 94.14 9.355594 1.6309074 -5.8541446 1 79 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 98.44 2.3503265 0.3514067 -5.4390516 1 80 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 98.05 1.0992317 0.14428169 -4.7226048 1 81 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 98.05 0.15592384 -0.6091657 -5.6445026 1 82 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 97.27 -0.20885378 -0.1138196 -6.710639 1 83 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 98.05 0.48285925 1.4765899 -4.255933 1 84 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 96.88 -0.8988432 1.2406819 -3.6674743 1 85 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 96.88 1.3933504 2.1475546 -3.2390976 1 86 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 98.05 -0.25102484 -1.8089443 -5.251529 1 87 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 97.66 -1.037529 -2.7044322 -6.0938916 1 88 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 97.66 -2.062598 -3.4540982 -5.2455025 1 89 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 97.27 -1.6923703 -4.083241 -4.2563534 1 90 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 97.27 -0.1231498 -3.7178671 -6.807934 1 91 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 94.92 0.8934602 -3.0604875 -7.6922865 1 92 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 92.58 1.9862356 -4.030569 -8.141838 1 93 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 89.84 3.0612955 -3.3019836 -8.774319 1 94 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 88.67 4.2649593 -3.7735105 -9.000235 1 95 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 85.16 5.1802244 -3.010621 -9.568238 1 96 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 85.16 4.561709 -5.013242 -8.655766 1 97 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 97.27 -3.3548145 -3.3820271 -5.6352663 1 98 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 96.88 -4.3865194 -4.119172 -4.9295306 1 99 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 97.66 -4.530093 -3.7346158 -3.4721665 1 100 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 96.88 -4.8395987 -4.591399 -2.6392155 1 101 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 97.66 -4.339518 -2.4558887 -3.1457527 1 102 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 97.27 -4.469809 -1.9824996 -1.7850536 1 103 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 97.66 -3.281593 -2.267375 -0.89582705 1 104 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 97.27 -3.3799312 -2.0992942 0.31707904 1 105 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 98.44 -2.1863654 -2.6723988 -1.4900697 1 106 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 98.05 -0.9770806 -3.0259278 -0.7548708 1 107 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 98.05 0.2207081 -2.2599707 -1.2786598 1 108 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 98.05 0.33706576 -2.049856 -2.4865668 1 109 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 97.66 -0.66384053 -4.506993 -0.9428142 1 110 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 96.88 -1.0086637 -5.3784885 0.22762018 1 111 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 95.7 -2.2453878 -5.969658 0.34973377 1 112 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 95.31 -0.058927003 -5.6265936 1.2085625 1 113 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 94.14 -2.5473838 -6.783218 1.4225786 1 114 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 93.75 -0.3570864 -6.4412756 2.2917802 1 115 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 94.53 -1.6011486 -7.01301 2.3830361 1 116 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 93.75 -1.8892047 -7.826268 3.449501 1 117 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 98.44 1.095328 -1.89502 -0.35707116 1 118 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 98.44 2.4119787 -1.4389287 -0.76630265 1 119 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 98.05 3.2692308 -2.6787086 -0.9887482 1 120 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 98.44 3.4885345 -3.4543715 -0.06131274 1 121 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 98.44 3.0447063 -0.5511678 0.31195775 1 122 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 97.66 4.750978 -0.11942223 -0.019309213 1 123 +ATOM N N . THR A0 1 19 . 19 THR A0 N 98.44 3.7428107 -2.853734 -2.2036667 1 124 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 98.44 4.5557365 -4.0278707 -2.5023112 1 125 +ATOM C C . THR A0 1 19 . 19 THR A0 C 98.05 6.004107 -3.845939 -2.0827034 1 126 +ATOM O O . THR A0 1 19 . 19 THR A0 O 97.66 6.7752247 -4.80525 -2.1346345 1 127 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 98.05 4.4882727 -4.390976 -4.003212 1 128 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 96.88 5.0249014 -3.321517 -4.776879 1 129 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 96.09 3.0344331 -4.6374207 -4.4191027 1 130 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 98.44 6.347799 -2.6273174 -1.6438353 1 131 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 98.44 7.6911774 -2.393726 -1.1353924 1 132 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 98.44 7.829487 -2.8276844 0.3216665 1 133 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 98.05 8.754762 -3.5640903 0.6662191 1 134 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 98.05 8.068301 -0.91522944 -1.2863038 1 135 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 97.66 9.524282 -0.65998924 -0.96983767 1 136 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 95.7 10.403672 -1.2388568 -1.5913625 1 137 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 94.92 9.769379 0.20832871 0.0010779713 1 138 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 98.44 6.894082 -2.357338 1.1976651 1 139 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 98.44 7.008748 -2.6533394 2.6222646 1 140 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 98.05 5.891233 -3.5333164 3.1593423 1 141 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 98.05 5.9508395 -3.9600816 4.314283 1 142 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 98.44 7.074079 -1.3551221 3.4355788 1 143 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 97.66 5.5362473 -0.4400851 3.561863 1 144 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 98.44 4.843106 -3.802638 2.383222 1 145 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 98.44 3.752128 -4.664497 2.795807 1 146 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 98.44 2.6181965 -3.9724166 3.5207033 1 147 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 98.05 1.6753128 -4.635268 3.9424539 1 148 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 98.05 2.673931 -2.630167 3.6748903 1 149 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 98.05 1.6005203 -1.9013479 4.3293834 1 150 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 98.05 0.30877542 -2.0501018 3.5339699 1 151 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 98.05 0.32619813 -2.1732173 2.3116543 1 152 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 98.05 1.9677749 -0.43061143 4.474709 1 153 +ATOM N N . SER A0 1 24 . 24 SER A0 N 98.05 -0.85667896 -2.0156555 4.2426996 1 154 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 97.66 -2.1307988 -2.193565 3.5724492 1 155 +ATOM C C . SER A0 1 24 . 24 SER A0 C 98.05 -3.0306518 -0.984874 3.7632341 1 156 +ATOM O O . SER A0 1 24 . 24 SER A0 O 97.27 -2.5885463 0.078784645 4.1947064 1 157 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 97.27 -2.8119228 -3.4770565 4.048216 1 158 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 95.7 -3.052064 -3.4365578 5.432328 1 159 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 96.88 -4.3140235 -1.1833694 3.5061104 1 160 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 97.27 -5.264501 -0.09826906 3.3485475 1 161 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 96.48 -5.138133 1.0207772 4.301383 1 162 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 96.09 -5.359585 2.212514 3.9620895 1 163 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 96.09 -5.40685 0.48358464 1.9028798 1 164 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 95.7 -6.7793703 -0.7212984 3.7615147 1 165 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 96.48 -4.9294834 0.78237844 5.5170736 1 166 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 96.48 -4.863639 1.8135321 6.524934 1 167 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 96.48 -3.7402315 2.8021305 6.2752695 1 168 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 96.09 -3.813684 3.9334412 6.7616825 1 169 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 95.7 -4.727783 1.2074342 7.9213576 1 170 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 93.36 -5.963542 0.4394482 8.328119 1 171 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 91.41 -7.0799174 0.8721238 7.997265 1 172 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 90.23 -5.8099065 -0.59992146 8.990122 1 173 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 98.05 -2.744272 2.42216 5.511299 1 174 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 98.05 -1.6017852 3.2951035 5.255446 1 175 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 98.05 -1.4078984 3.6328087 3.777229 1 176 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 97.66 -0.41544133 4.2909374 3.4406137 1 177 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 97.66 -0.33703542 2.6631007 5.824999 1 178 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 94.53 -0.41069388 2.4231052 7.3298826 1 179 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 93.36 -0.4636448 3.7064614 8.131355 1 180 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 91.02 0.75151384 4.487767 8.0025015 1 181 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 89.84 0.9261111 5.7057567 8.482214 1 182 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 86.72 -0.053054433 6.284954 9.160622 1 183 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 86.33 2.074543 6.3308353 8.2976055 1 184 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 97.27 -2.3458543 3.200792 2.9235013 1 185 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 97.27 -2.278744 3.5270686 1.5014737 1 186 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 96.88 -3.2077968 4.708649 1.2430818 1 187 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 95.7 -4.373096 4.686634 1.6277184 1 188 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 96.88 -2.6839292 2.3294592 0.6229411 1 189 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 95.7 -1.8084619 1.123688 0.93204725 1 190 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 95.7 -2.6295152 2.7011914 -0.86535156 1 191 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 93.36 -0.33460242 1.3111136 0.7579752 1 192 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 95.7 -2.7134762 5.7399144 0.59758586 1 193 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 95.31 -3.4506698 6.978636 0.397902 1 194 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 95.31 -3.5397954 7.3647094 -1.048887 1 195 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 92.97 -2.6153312 7.1848483 -1.7885454 1 196 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 94.14 -2.7848177 8.136015 1.1589651 1 197 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 89.84 -2.618314 7.8459644 2.6291068 1 198 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 85.94 -3.985346 7.80173 3.330906 1 199 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 82.03 -3.8585453 7.418498 4.7235336 1 200 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 78.52 -4.6075616 6.5237026 5.329468 1 201 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 75.39 -4.3986235 6.250307 6.600272 1 202 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 74.61 -5.562807 5.887401 4.6704216 1 203 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 89.06 -4.5042486 8.052372 -1.7739072 1 204 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 82.03 -4.716564 -2.5668883 7.398123 1 205 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..25e517336a6c3afb11a7914c25c460947ec5a1ee --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_1_postprocessed.cif @@ -0,0 +1,320 @@ +data_5sbj-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 0 -0.7569964 5.8345957 -3.9131439 1 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 0 0.071307845 5.731429 -4.759326 1 2 1 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 0 -2.153687 5.4519024 -3.970733 1 3 1 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 0 -0.08060321 6.092312 -2.81349 1 4 1 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 0 1.1925393 5.9939137 -2.233516 1 5 1 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 0 1.1105896 5.389962 -0.8558187 1 6 1 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 0 0.062027156 5.4175982 -0.2089713 1 7 1 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 0 1.8696362 7.340872 -2.2308822 1 8 1 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 0 1.3078631 8.318464 -1.2279615 1 9 1 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 0 0.27390346 9.16793 -1.5636423 1 10 1 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 0 1.8403414 8.411171 0.044635363 1 11 1 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 0 -0.2265408 10.076958 -0.6559764 1 12 1 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 0 1.3415086 9.319189 0.9540152 1 13 1 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 0 0.31490064 10.143816 0.5959457 1 14 1 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 0 -0.1719031 11.038473 1.4946568 1 15 1 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 0 2.1849885 4.863696 -0.408921 1 16 1 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 0 2.296434 4.275822 0.9126667 1 17 1 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 0 2.7991571 5.3160152 1.906342 1 18 1 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 0 3.89606 5.8506107 1.7421813 1 19 1 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 0 3.2511573 3.0816245 0.8777349 1 20 1 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 0 3.5229206 2.3543973 2.4849026 1 21 1 +ATOM N N . SER A0 1 4 . 4 SER A0 N 0 1.9857731 5.593765 2.9287465 1 22 1 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 0 2.37046 6.5579653 3.9551272 1 23 1 +ATOM C C . SER A0 1 4 . 4 SER A0 C 0 3.5094144 6.0554795 4.8366346 1 24 1 +ATOM O O . SER A0 1 4 . 4 SER A0 O 0 4.1797 6.866324 5.4874487 1 25 1 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 0 1.1700356 6.9058733 4.82885 1 26 1 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 0 0.13739946 7.5009966 4.0641165 1 27 1 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 0 3.7227592 4.7549896 4.8645997 1 28 1 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 0 4.7948427 4.208354 5.6965823 1 29 1 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 0 6.1812673 4.4155645 5.089113 1 30 1 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 0 7.1333456 4.701955 5.811098 1 31 1 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 0 4.580103 2.716274 5.9445767 1 32 1 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 0 3.5563776 2.4485686 7.036521 1 33 1 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 0 3.0458066 3.4119394 7.644272 1 34 1 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 0 3.2679887 1.2572945 7.287056 1 35 1 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 0 6.2886972 4.2337165 3.7822528 1 36 1 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 0 7.614545 4.2753344 3.1698365 1 37 1 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 0 7.7274075 5.2248764 1.987854 1 38 1 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 0 8.824339 5.3964205 1.4450873 1 39 1 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 0 8.048886 2.873846 2.734032 1 40 1 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 0 7.1548553 2.2133555 1.3254641 1 41 1 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 0 6.615945 5.8688865 1.5778222 1 42 1 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 0 6.6478186 6.819763 0.48453435 1 43 1 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 0 6.6276026 6.210911 -0.89612657 1 44 1 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 0 6.763687 6.9398394 -1.8831083 1 45 1 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 0 6.4251165 4.8989506 -0.9886927 1 46 1 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 0 6.3223276 4.2646413 -2.2902136 1 47 1 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 0 5.1497555 4.857332 -3.0609746 1 48 1 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 0 4.120664 5.1909614 -2.4715388 1 49 1 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 0 6.161391 2.7592964 -2.1328135 1 50 1 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 0 5.267811 4.964833 -4.379368 1 51 1 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 0 4.2263403 5.549661 -5.1984925 1 52 1 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 0 3.5002584 4.5060034 -6.016104 1 53 1 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 0 3.6574783 3.3009806 -5.7967587 1 54 1 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 0 4.792486 6.6759624 -6.0734177 1 55 1 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 0 5.8601837 6.224193 -7.049055 1 56 1 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 0 5.887192 5.033059 -7.4175587 1 57 1 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 0 6.6695824 7.072152 -7.457933 1 58 1 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 0 2.6842976 4.9677415 -6.9591455 1 59 1 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 0 1.8728287 4.1114454 -7.7922564 1 60 1 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 0 2.590498 2.9061604 -8.388067 1 61 1 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 0 2.0261905 1.8594996 -8.641749 1 62 1 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 0 0.483253 3.6384435 -7.245864 1 63 1 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 0 1.515357 4.9667544 -9.191912 1 64 1 +ATOM N N . SER A0 1 11 . 11 SER A0 N 0 3.8201337 3.0411997 -8.620737 1 65 1 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 0 4.595393 1.9664559 -9.199268 1 66 1 +ATOM C C . SER A0 1 11 . 11 SER A0 C 0 4.806208 0.82903445 -8.2163925 1 67 1 +ATOM O O . SER A0 1 11 . 11 SER A0 O 0 5.1563187 -0.27837646 -8.629456 1 68 1 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 0 5.9440928 2.4808013 -9.712832 1 69 1 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 0 6.8034534 2.826597 -8.64822 1 70 1 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 0 4.551901 1.0752892 -6.9171853 1 71 1 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 0 4.761137 0.058609452 -5.899044 1 72 1 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 0 3.5241156 -0.17116877 -5.031667 1 73 1 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 0 3.6273322 -0.82222986 -3.9915767 1 74 1 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 0 5.9493284 0.45980448 -5.010956 1 75 1 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 0 7.2658916 0.4642134 -5.7609043 1 76 1 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 0 8.112224 1.6768887 -5.450595 1 77 1 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 0 7.652567 2.6522255 -4.865514 1 78 1 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 0 9.355594 1.6309074 -5.8541446 1 79 1 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 0 2.3503265 0.3514067 -5.4390516 1 80 1 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 0 1.0992317 0.14428169 -4.7226048 1 81 1 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 0 0.15592384 -0.6091657 -5.6445026 1 82 1 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 0 -0.20885378 -0.1138196 -6.710639 1 83 1 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 0 0.48285925 1.4765899 -4.255933 1 84 1 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 0 -0.8988432 1.2406819 -3.6674743 1 85 1 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 0 1.3933504 2.1475546 -3.2390976 1 86 1 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 0 -0.25102484 -1.8089443 -5.251529 1 87 1 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 0 -1.037529 -2.7044322 -6.0938916 1 88 1 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 0 -2.062598 -3.4540982 -5.2455025 1 89 1 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 0 -1.6923703 -4.083241 -4.2563534 1 90 1 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 0 -0.1231498 -3.7178671 -6.807934 1 91 1 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 0 0.8934602 -3.0604875 -7.6922865 1 92 1 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 0 1.9862356 -4.030569 -8.141838 1 93 1 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 0 3.0612955 -3.3019836 -8.774319 1 94 1 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 0 4.2649593 -3.7735105 -9.000235 1 95 1 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 0 5.1802244 -3.010621 -9.568238 1 96 1 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 0 4.561709 -5.013242 -8.655766 1 97 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -3.3548145 -3.3820271 -5.6352663 1 98 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -4.3865194 -4.119172 -4.9295306 1 99 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -4.530093 -3.7346158 -3.4721665 1 100 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -4.8395987 -4.591399 -2.6392155 1 101 1 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 0 -4.339518 -2.4558887 -3.1457527 1 102 1 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 0 -4.469809 -1.9824996 -1.7850536 1 103 1 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 0 -3.281593 -2.267375 -0.89582705 1 104 1 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 0 -3.3799312 -2.0992942 0.31707904 1 105 1 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 0 -2.1863654 -2.6723988 -1.4900697 1 106 1 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 0 -0.9770806 -3.0259278 -0.7548708 1 107 1 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 0 0.2207081 -2.2599707 -1.2786598 1 108 1 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 0 0.33706576 -2.049856 -2.4865668 1 109 1 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 0 -0.66384053 -4.506993 -0.9428142 1 110 1 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 0 -1.0086637 -5.3784885 0.22762018 1 111 1 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 0 -2.2453878 -5.969658 0.34973377 1 112 1 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 0 -0.058927003 -5.6265936 1.2085625 1 113 1 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 0 -2.5473838 -6.783218 1.4225786 1 114 1 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 0 -0.3570864 -6.4412756 2.2917802 1 115 1 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 0 -1.6011486 -7.01301 2.3830361 1 116 1 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 0 -1.8892047 -7.826268 3.449501 1 117 1 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 0 1.095328 -1.89502 -0.35707116 1 118 1 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 0 2.4119787 -1.4389287 -0.76630265 1 119 1 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 0 3.2692308 -2.6787086 -0.9887482 1 120 1 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 0 3.4885345 -3.4543715 -0.06131274 1 121 1 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 0 3.0447063 -0.5511678 0.31195775 1 122 1 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 0 4.750978 -0.11942223 -0.019309213 1 123 1 +ATOM N N . THR A0 1 19 . 19 THR A0 N 0 3.7428107 -2.853734 -2.2036667 1 124 1 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 0 4.5557365 -4.0278707 -2.5023112 1 125 1 +ATOM C C . THR A0 1 19 . 19 THR A0 C 0 6.004107 -3.845939 -2.0827034 1 126 1 +ATOM O O . THR A0 1 19 . 19 THR A0 O 0 6.7752247 -4.80525 -2.1346345 1 127 1 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 0 4.4882727 -4.390976 -4.003212 1 128 1 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 0 5.0249014 -3.321517 -4.776879 1 129 1 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 0 3.0344331 -4.6374207 -4.4191027 1 130 1 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 0 6.347799 -2.6273174 -1.6438353 1 131 1 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 0 7.6911774 -2.393726 -1.1353924 1 132 1 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 0 7.829487 -2.8276844 0.3216665 1 133 1 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 0 8.754762 -3.5640903 0.6662191 1 134 1 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 0 8.068301 -0.91522944 -1.2863038 1 135 1 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 0 9.524282 -0.65998924 -0.96983767 1 136 1 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 0 10.403672 -1.2388568 -1.5913625 1 137 1 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 0 9.769379 0.20832871 0.0010779713 1 138 1 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 0 6.894082 -2.357338 1.1976651 1 139 1 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 0 7.008748 -2.6533394 2.6222646 1 140 1 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 0 5.891233 -3.5333164 3.1593423 1 141 1 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 0 5.9508395 -3.9600816 4.314283 1 142 1 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 0 7.074079 -1.3551221 3.4355788 1 143 1 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 0 5.5362473 -0.4400851 3.561863 1 144 1 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 0 4.843106 -3.802638 2.383222 1 145 1 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 0 3.752128 -4.664497 2.795807 1 146 1 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 0 2.6181965 -3.9724166 3.5207033 1 147 1 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 0 1.6753128 -4.635268 3.9424539 1 148 1 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 0 2.673931 -2.630167 3.6748903 1 149 1 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 0 1.6005203 -1.9013479 4.3293834 1 150 1 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 0 0.30877542 -2.0501018 3.5339699 1 151 1 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 0 0.32619813 -2.1732173 2.3116543 1 152 1 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 0 1.9677749 -0.43061143 4.474709 1 153 1 +ATOM N N . SER A0 1 24 . 24 SER A0 N 0 -0.85667896 -2.0156555 4.2426996 1 154 1 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 0 -2.1307988 -2.193565 3.5724492 1 155 1 +ATOM C C . SER A0 1 24 . 24 SER A0 C 0 -3.0306518 -0.984874 3.7632341 1 156 1 +ATOM O O . SER A0 1 24 . 24 SER A0 O 0 -2.5885463 0.078784645 4.1947064 1 157 1 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 0 -2.8119228 -3.4770565 4.048216 1 158 1 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 0 -3.052064 -3.4365578 5.432328 1 159 1 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 0 -4.3140235 -1.1833694 3.5061104 1 160 1 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 0 -5.264501 -0.09826906 3.3485475 1 161 1 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 0 -5.138133 1.0207772 4.301383 1 162 1 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 0 -5.359585 2.212514 3.9620895 1 163 1 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 0 -5.40685 0.48358464 1.9028798 1 164 1 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 0 -6.7793703 -0.7212984 3.7615147 1 165 1 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 0 -4.9294834 0.78237844 5.5170736 1 166 1 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 0 -4.863639 1.8135321 6.524934 1 167 1 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 0 -3.7402315 2.8021305 6.2752695 1 168 1 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 0 -3.813684 3.9334412 6.7616825 1 169 1 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 0 -4.727783 1.2074342 7.9213576 1 170 1 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 0 -5.963542 0.4394482 8.328119 1 171 1 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 0 -7.0799174 0.8721238 7.997265 1 172 1 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 0 -5.8099065 -0.59992146 8.990122 1 173 1 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 0 -2.744272 2.42216 5.511299 1 174 1 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 0 -1.6017852 3.2951035 5.255446 1 175 1 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 0 -1.4078984 3.6328087 3.777229 1 176 1 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 0 -0.41544133 4.2909374 3.4406137 1 177 1 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 0 -0.33703542 2.6631007 5.824999 1 178 1 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 0 -0.41069388 2.4231052 7.3298826 1 179 1 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 0 -0.4636448 3.7064614 8.131355 1 180 1 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 0 0.75151384 4.487767 8.0025015 1 181 1 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 0 0.9261111 5.7057567 8.482214 1 182 1 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 0 -0.053054433 6.284954 9.160622 1 183 1 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 0 2.074543 6.3308353 8.2976055 1 184 1 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 0 -2.3458543 3.200792 2.9235013 1 185 1 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 0 -2.278744 3.5270686 1.5014737 1 186 1 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 0 -3.2077968 4.708649 1.2430818 1 187 1 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 0 -4.373096 4.686634 1.6277184 1 188 1 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 0 -2.6839292 2.3294592 0.6229411 1 189 1 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 0 -1.8084619 1.123688 0.93204725 1 190 1 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 0 -2.6295152 2.7011914 -0.86535156 1 191 1 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 0 -0.33460242 1.3111136 0.7579752 1 192 1 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 0 -2.7134762 5.7399144 0.59758586 1 193 1 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 0 -3.4506698 6.978636 0.397902 1 194 1 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 0 -3.5397954 7.3647094 -1.048887 1 195 1 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 0 -2.6153312 7.1848483 -1.7885454 1 196 1 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 0 -2.7848177 8.136015 1.1589651 1 197 1 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 0 -2.618314 7.8459644 2.6291068 1 198 1 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 0 -3.985346 7.80173 3.330906 1 199 1 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 0 -3.8585453 7.418498 4.7235336 1 200 1 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 0 -4.6075616 6.5237026 5.329468 1 201 1 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 0 -4.3986235 6.250307 6.600272 1 202 1 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 0 -5.562807 5.887401 4.6704216 1 203 1 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 0 -4.5042486 8.052372 -1.7739072 1 204 1 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 0 -4.716564 -2.5668883 7.398123 1 205 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2.cif new file mode 100644 index 0000000000000000000000000000000000000000..b584d0d2cdb1cb4c792f6d4fad47b261e642b05d --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2.cif @@ -0,0 +1,313 @@ +data_5sbj-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 95.31 -1.9979085 6.3261466 2.0504246 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 91.8 -0.81010634 6.5462704 1.9992117 1 2 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 91.02 -3.0508285 6.980258 1.3149648 1 3 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 96.88 -2.052051 5.1169953 2.5802412 1 4 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 96.88 -1.2879773 3.9857702 2.89932 1 5 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 96.88 -1.9970211 2.7161329 2.4880548 1 6 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 96.48 -3.222904 2.6795104 2.3580828 1 7 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 96.09 -0.9627301 3.99473 4.376131 1 8 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 94.92 -2.1605766 3.767892 5.2609453 1 9 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 94.14 -2.921072 4.8303404 5.7068725 1 10 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 93.75 -2.5174742 2.492785 5.66669 1 11 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 92.97 -4.0122175 4.630956 6.530617 1 12 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 92.58 -3.609575 2.2899268 6.489441 1 13 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 92.58 -4.3434143 3.3595967 6.9116387 1 14 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 92.58 -5.417906 3.1631088 7.721726 1 15 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 97.27 -1.236556 1.703536 2.3081908 1 16 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 97.66 -1.746774 0.3905413 1.957522 1 17 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 97.27 -1.942637 -0.43549514 3.2213204 1 18 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 97.27 -0.9894546 -0.68550074 3.9596868 1 19 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 97.66 -0.77633554 -0.3239849 1.0147709 1 20 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 97.66 -1.2912861 -1.9811 0.6027747 1 21 +ATOM N N . SER A0 1 4 . 4 SER A0 N 98.05 -3.1704483 -0.8479959 3.4673004 1 22 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 97.66 -3.4799292 -1.6687701 4.634764 1 23 +ATOM C C . SER A0 1 4 . 4 SER A0 C 97.66 -2.8850913 -3.073704 4.5409374 1 24 +ATOM O O . SER A0 1 4 . 4 SER A0 O 97.27 -2.72364 -3.741208 5.56086 1 25 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 97.27 -4.9925895 -1.7696502 4.820292 1 26 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 94.53 -5.566001 -0.48271176 5.0217886 1 27 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 98.05 -2.551959 -3.5080364 3.3425736 1 28 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 97.66 -1.9781755 -4.8488884 3.1878886 1 29 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 97.66 -0.5039629 -4.9086623 3.580583 1 30 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 97.66 -0.066609964 -5.8779154 4.2001295 1 31 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 97.27 -2.1175323 -5.330945 1.7437778 1 32 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 96.48 -3.5124402 -5.8482213 1.4262002 1 33 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 95.31 -4.348541 -5.940771 2.3457537 1 34 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 95.31 -3.7560112 -6.165974 0.23996302 1 35 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 97.66 0.25640637 -3.8913364 3.2167778 1 36 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 98.05 1.6990255 -3.964412 3.4401138 1 37 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 97.66 2.2882743 -2.7648077 4.1676188 1 38 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 97.27 3.4892273 -2.7578003 4.4521217 1 39 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 97.66 2.4277196 -4.15487 2.1077085 1 40 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 97.27 2.4021573 -2.7276778 1.0197284 1 41 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 97.66 1.4742949 -1.7661955 4.4929953 1 42 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 97.27 1.9652319 -0.6117592 5.221648 1 43 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 97.66 2.6674843 0.4295772 4.3802233 1 44 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 97.27 3.2183537 1.3820249 4.9227757 1 45 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 97.66 2.6435397 0.27261144 3.0723462 1 46 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 97.66 3.2673583 1.2538047 2.2023573 1 47 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 97.27 2.5937066 2.6052434 2.4193532 1 48 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 97.27 1.3822994 2.6757064 2.6424694 1 49 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 97.27 3.1355686 0.8256607 0.7461923 1 50 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 97.66 3.359582 3.681036 2.3480103 1 51 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 97.27 2.813377 5.011524 2.5612948 1 52 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 97.27 2.7328024 5.7919483 1.2655939 1 53 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 96.88 2.9041803 5.234496 0.17421687 1 54 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 96.88 3.6204264 5.7561417 3.6257644 1 55 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 95.7 5.072225 5.9743166 3.2611158 1 56 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 94.53 5.433492 5.872444 2.067187 1 57 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 93.75 5.859374 6.271537 4.176258 1 58 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 96.48 2.4790735 7.077981 1.3660203 1 59 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 96.88 2.314161 7.9503794 0.24615781 1 60 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 96.48 3.3810754 7.8251076 -0.8430431 1 61 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 95.7 3.1735969 8.112672 -1.990914 1 62 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 95.7 0.8907571 7.971156 -0.46219316 1 63 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 95.7 2.597834 9.522675 0.729056 1 64 +ATOM N N . SER A0 1 11 . 11 SER A0 N 97.66 4.525652 7.4154654 -0.505618 1 65 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 97.27 5.5892286 7.276258 -1.4802521 1 66 +ATOM C C . SER A0 1 11 . 11 SER A0 C 97.27 5.3499 6.0696707 -2.3820176 1 67 +ATOM O O . SER A0 1 11 . 11 SER A0 O 96.88 5.9388585 5.9821243 -3.4614172 1 68 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 96.88 6.9521246 7.1638794 -0.7956718 1 69 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 94.14 7.0850077 5.9351015 -0.11344673 1 70 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 98.05 4.4853983 5.153884 -1.9518117 1 71 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 97.66 4.2461424 3.919787 -2.6986678 1 72 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 97.66 2.777297 3.712376 -3.0455103 1 73 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 97.66 2.4385872 2.682521 -3.6429877 1 74 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 97.66 4.758629 2.7329473 -1.8775843 1 75 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 96.88 6.249169 2.77423 -1.6283058 1 76 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 95.7 6.6238832 2.070402 -0.34789106 1 77 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 93.75 6.3842077 2.5797167 0.74526286 1 78 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 92.97 7.1960597 0.8953445 -0.47907168 1 79 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 97.66 1.909054 4.649214 -2.6636143 1 80 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 97.27 0.48502776 4.5706363 -2.9638057 1 81 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 97.27 0.14817329 5.7211485 -3.8948278 1 82 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 96.88 0.34606752 6.885192 -3.545681 1 83 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 97.27 -0.36902556 4.6313944 -1.6806059 1 84 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 96.09 -1.8502113 4.736909 -2.0351515 1 85 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 95.7 -0.107617885 3.402113 -0.8229579 1 86 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 97.27 -0.33583498 5.4192905 -5.069327 1 87 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 96.88 -0.59723747 6.4191504 -6.098775 1 88 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 96.88 -1.9251482 6.1355047 -6.7899637 1 89 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 96.48 -2.1223936 5.038018 -7.309886 1 90 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 96.48 0.530573 6.414233 -7.135843 1 91 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 93.75 1.8873318 6.6657104 -6.5338945 1 92 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 91.8 2.999086 6.3774714 -7.5315742 1 93 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 89.45 4.270415 6.264202 -6.859083 1 94 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 87.89 5.3203187 5.6258464 -7.3399577 1 95 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 85.16 6.437434 5.5606937 -6.629869 1 96 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 85.55 5.2479515 5.0471234 -8.516275 1 97 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 96.48 -2.805356 7.1287074 -6.7953315 1 98 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 95.7 -4.073081 6.973042 -7.4777656 1 99 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 96.48 -4.8914485 5.798856 -6.9800987 1 100 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 95.7 -5.540491 5.120699 -7.772172 1 101 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 96.88 -4.871773 5.5678744 -5.672845 1 102 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 96.48 -5.6449537 4.4923315 -5.0889215 1 103 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 97.27 -5.0841923 3.1061509 -5.3162193 1 104 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 96.48 -5.8100996 2.1248527 -5.195523 1 105 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 97.66 -3.8078275 3.039168 -5.630206 1 106 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 97.27 -3.1539032 1.7783022 -5.950668 1 107 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 97.66 -1.8263197 1.6751117 -5.207264 1 108 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 97.27 -1.0553075 2.6440825 -5.192499 1 109 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 96.88 -2.9218824 1.7217538 -7.4616604 1 110 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 95.7 -2.2462668 0.47716945 -7.9784613 1 111 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 93.75 -0.89931756 0.48953605 -8.327766 1 112 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 93.75 -2.9526696 -0.7062222 -8.145693 1 113 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 92.58 -0.2787172 -0.6498515 -8.821494 1 114 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 92.19 -2.339285 -1.852401 -8.642559 1 115 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 92.58 -1.0004723 -1.812109 -8.973729 1 116 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 92.19 -0.38288027 -2.943541 -9.464806 1 117 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 97.66 -1.5692388 0.52732825 -4.5720224 1 118 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 97.66 -0.29026634 0.3223415 -3.921361 1 119 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 97.27 0.69984716 -0.20826012 -4.951085 1 120 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 97.27 0.5316069 -1.3124032 -5.462251 1 121 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 97.66 -0.41974023 -0.6668204 -2.758954 1 122 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 96.88 1.1545118 -1.0603397 -1.9919677 1 123 +ATOM N N . THR A0 1 19 . 19 THR A0 N 97.66 1.7208748 0.57883203 -5.223427 1 124 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 97.66 2.707768 0.1778245 -6.2191525 1 125 +ATOM C C . THR A0 1 19 . 19 THR A0 C 97.27 3.6723554 -0.86884874 -5.6808286 1 126 +ATOM O O . THR A0 1 19 . 19 THR A0 O 96.88 4.4304557 -1.4508662 -6.4632845 1 127 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 97.27 3.502328 1.402394 -6.7283754 1 128 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 95.7 4.235269 1.9806846 -5.653238 1 129 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 94.92 2.5419009 2.4499593 -7.308899 1 130 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 98.05 3.62421 -1.1187904 -4.372711 1 131 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 97.66 4.4963465 -2.1311948 -3.7860734 1 132 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 97.66 3.894359 -3.5294337 -3.8761365 1 133 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 96.88 4.5375547 -4.455509 -4.3748236 1 134 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 97.66 4.7989454 -1.7884636 -2.327479 1 135 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 96.88 5.8308945 -2.7203703 -1.739485 1 136 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 94.92 6.9278803 -2.8457444 -2.274852 1 137 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 94.14 5.468942 -3.3696313 -0.64528453 1 138 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 98.05 2.653525 -3.6922903 -3.3822165 1 139 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 97.66 2.050743 -5.022284 -3.3459501 1 140 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 97.66 0.89766836 -5.2092133 -4.32084 1 141 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 96.88 0.40364653 -6.33191 -4.469145 1 142 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 97.66 1.5845678 -5.3502717 -1.9275448 1 143 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 96.88 0.10899442 -4.491394 -1.3644373 1 144 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 97.66 0.45122033 -4.1574683 -4.961611 1 145 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 97.27 -0.61197174 -4.258045 -5.945238 1 146 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 97.66 -2.019373 -4.103671 -5.4064035 1 147 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 97.27 -2.9764986 -4.1668806 -6.173625 1 148 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 97.66 -2.1657348 -3.8844974 -4.08861 1 149 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 97.66 -3.4896488 -3.6963975 -3.5158753 1 150 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 97.27 -4.0779095 -2.3918552 -4.044117 1 151 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 97.27 -3.3609123 -1.4545159 -4.368057 1 152 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 97.27 -3.416471 -3.6690567 -1.9928792 1 153 +ATOM N N . SER A0 1 24 . 24 SER A0 N 96.88 -5.403694 -2.3257618 -4.111906 1 154 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 96.48 -6.0403233 -1.1152894 -4.6004963 1 155 +ATOM C C . SER A0 1 24 . 24 SER A0 C 96.88 -7.3460655 -0.86526847 -3.879981 1 156 +ATOM O O . SER A0 1 24 . 24 SER A0 O 96.09 -7.7895 -1.6668878 -3.060947 1 157 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 96.48 -6.2815666 -1.2033217 -6.1158233 1 158 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 95.31 -7.1410513 -2.2716196 -6.42784 1 159 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 95.7 -7.9621043 0.13841861 -4.1854324 1 160 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 96.48 -9.072922 0.74041617 -3.6093552 1 161 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 95.7 -9.419422 0.21840864 -2.2563076 1 162 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 94.92 -9.363623 0.9462557 -1.2260137 1 163 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 95.31 -8.641039 2.3137417 -3.3310692 1 164 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 94.92 -10.428935 0.839088 -4.519558 1 165 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 95.7 -10.053568 -0.88868105 -2.1321328 1 166 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 95.31 -10.60343 -1.3728018 -0.887474 1 167 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 95.7 -9.572692 -1.4740446 0.22025044 1 168 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 94.53 -9.941659 -1.4493718 1.3934832 1 169 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 94.53 -11.29434 -2.7148705 -1.0820941 1 170 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 92.58 -12.542154 -2.6073687 -1.9397943 1 171 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 90.62 -13.179349 -1.5378933 -1.965847 1 172 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 89.45 -12.887148 -3.6009908 -2.596406 1 173 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 97.27 -8.294691 -1.5512941 -0.10552331 1 174 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 97.27 -7.2485704 -1.6812791 0.9108321 1 175 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 97.27 -6.372513 -0.43622747 1.0370331 1 176 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 96.48 -5.419222 -0.45150036 1.825462 1 177 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 96.48 -6.389346 -2.8993247 0.6044127 1 178 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 94.14 -7.172178 -4.2120876 0.634586 1 179 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 92.97 -7.6535287 -4.5742016 2.0221357 1 180 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 90.62 -6.5714235 -4.88396 2.943616 1 181 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 89.84 -6.7268276 -5.2201223 4.214978 1 182 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 87.11 -7.9499335 -5.3098626 4.7143955 1 183 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 87.5 -5.6662297 -5.481032 4.961857 1 184 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 96.48 -6.684816 0.6174725 0.30950144 1 185 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 96.09 -5.9209127 1.8615294 0.3738534 1 186 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 95.7 -6.739784 2.8825936 1.1598899 1 187 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 94.14 -7.907602 3.105335 0.86378324 1 188 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 96.09 -5.6147666 2.4092028 -1.030798 1 189 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 94.53 -4.8610163 1.363046 -1.8500683 1 190 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 94.14 -4.832896 3.728724 -0.939078 1 191 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 92.58 -3.5779905 0.8503274 -1.2607006 1 192 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 94.92 -6.127946 3.4850996 2.1492162 1 193 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 94.14 -6.8343573 4.408131 3.025566 1 194 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 93.75 -6.1378207 5.7248354 3.1565228 1 195 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 91.41 -4.9345407 5.777571 3.1782022 1 196 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 92.58 -6.9878273 3.824894 4.4274 1 197 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 89.45 -7.7102766 2.4917278 4.437585 1 198 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 86.33 -9.147381 2.6282258 3.9551485 1 199 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 83.2 -9.809525 1.3380527 3.8737576 1 200 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 80.47 -10.900154 1.0939486 3.188248 1 201 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 78.12 -11.414579 -0.120391265 3.1756651 1 202 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 77.73 -11.483274 2.0776079 2.509403 1 203 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 88.67 -6.611272 7.012693 3.3598533 1 204 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 82.42 -8.042381 -4.826556 -6.4112115 1 205 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..31ef52df7b0bdc578eff7e17936d60319d7828f7 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_2_postprocessed.cif @@ -0,0 +1,320 @@ +data_5sbj-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 0 -1.9979085 6.3261466 2.0504246 1 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 0 -0.81010634 6.5462704 1.9992117 1 2 1 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 0 -3.0508285 6.980258 1.3149648 1 3 1 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 0 -2.052051 5.1169953 2.5802412 1 4 1 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 0 -1.2879773 3.9857702 2.89932 1 5 1 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 0 -1.9970211 2.7161329 2.4880548 1 6 1 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 0 -3.222904 2.6795104 2.3580828 1 7 1 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 0 -0.9627301 3.99473 4.376131 1 8 1 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 0 -2.1605766 3.767892 5.2609453 1 9 1 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 0 -2.921072 4.8303404 5.7068725 1 10 1 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 0 -2.5174742 2.492785 5.66669 1 11 1 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 0 -4.0122175 4.630956 6.530617 1 12 1 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 0 -3.609575 2.2899268 6.489441 1 13 1 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 0 -4.3434143 3.3595967 6.9116387 1 14 1 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 0 -5.417906 3.1631088 7.721726 1 15 1 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 0 -1.236556 1.703536 2.3081908 1 16 1 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 0 -1.746774 0.3905413 1.957522 1 17 1 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 0 -1.942637 -0.43549514 3.2213204 1 18 1 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 0 -0.9894546 -0.68550074 3.9596868 1 19 1 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 0 -0.77633554 -0.3239849 1.0147709 1 20 1 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 0 -1.2912861 -1.9811 0.6027747 1 21 1 +ATOM N N . SER A0 1 4 . 4 SER A0 N 0 -3.1704483 -0.8479959 3.4673004 1 22 1 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 0 -3.4799292 -1.6687701 4.634764 1 23 1 +ATOM C C . SER A0 1 4 . 4 SER A0 C 0 -2.8850913 -3.073704 4.5409374 1 24 1 +ATOM O O . SER A0 1 4 . 4 SER A0 O 0 -2.72364 -3.741208 5.56086 1 25 1 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 0 -4.9925895 -1.7696502 4.820292 1 26 1 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 0 -5.566001 -0.48271176 5.0217886 1 27 1 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 0 -2.551959 -3.5080364 3.3425736 1 28 1 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 0 -1.9781755 -4.8488884 3.1878886 1 29 1 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 0 -0.5039629 -4.9086623 3.580583 1 30 1 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 0 -0.066609964 -5.8779154 4.2001295 1 31 1 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 0 -2.1175323 -5.330945 1.7437778 1 32 1 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 0 -3.5124402 -5.8482213 1.4262002 1 33 1 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 0 -4.348541 -5.940771 2.3457537 1 34 1 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 0 -3.7560112 -6.165974 0.23996302 1 35 1 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 0 0.25640637 -3.8913364 3.2167778 1 36 1 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 0 1.6990255 -3.964412 3.4401138 1 37 1 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 0 2.2882743 -2.7648077 4.1676188 1 38 1 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 0 3.4892273 -2.7578003 4.4521217 1 39 1 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 0 2.4277196 -4.15487 2.1077085 1 40 1 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 0 2.4021573 -2.7276778 1.0197284 1 41 1 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 0 1.4742949 -1.7661955 4.4929953 1 42 1 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 0 1.9652319 -0.6117592 5.221648 1 43 1 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 0 2.6674843 0.4295772 4.3802233 1 44 1 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 0 3.2183537 1.3820249 4.9227757 1 45 1 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 0 2.6435397 0.27261144 3.0723462 1 46 1 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 0 3.2673583 1.2538047 2.2023573 1 47 1 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 0 2.5937066 2.6052434 2.4193532 1 48 1 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 0 1.3822994 2.6757064 2.6424694 1 49 1 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 0 3.1355686 0.8256607 0.7461923 1 50 1 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 0 3.359582 3.681036 2.3480103 1 51 1 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 0 2.813377 5.011524 2.5612948 1 52 1 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 0 2.7328024 5.7919483 1.2655939 1 53 1 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 0 2.9041803 5.234496 0.17421687 1 54 1 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 0 3.6204264 5.7561417 3.6257644 1 55 1 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 0 5.072225 5.9743166 3.2611158 1 56 1 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 0 5.433492 5.872444 2.067187 1 57 1 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 0 5.859374 6.271537 4.176258 1 58 1 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 0 2.4790735 7.077981 1.3660203 1 59 1 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 0 2.314161 7.9503794 0.24615781 1 60 1 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 0 3.3810754 7.8251076 -0.8430431 1 61 1 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 0 3.1735969 8.112672 -1.990914 1 62 1 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 0 0.8907571 7.971156 -0.46219316 1 63 1 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 0 2.597834 9.522675 0.729056 1 64 1 +ATOM N N . SER A0 1 11 . 11 SER A0 N 0 4.525652 7.4154654 -0.505618 1 65 1 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 0 5.5892286 7.276258 -1.4802521 1 66 1 +ATOM C C . SER A0 1 11 . 11 SER A0 C 0 5.3499 6.0696707 -2.3820176 1 67 1 +ATOM O O . SER A0 1 11 . 11 SER A0 O 0 5.9388585 5.9821243 -3.4614172 1 68 1 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 0 6.9521246 7.1638794 -0.7956718 1 69 1 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 0 7.0850077 5.9351015 -0.11344673 1 70 1 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 0 4.4853983 5.153884 -1.9518117 1 71 1 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 0 4.2461424 3.919787 -2.6986678 1 72 1 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 0 2.777297 3.712376 -3.0455103 1 73 1 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 0 2.4385872 2.682521 -3.6429877 1 74 1 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 0 4.758629 2.7329473 -1.8775843 1 75 1 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 0 6.249169 2.77423 -1.6283058 1 76 1 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 0 6.6238832 2.070402 -0.34789106 1 77 1 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 0 6.3842077 2.5797167 0.74526286 1 78 1 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 0 7.1960597 0.8953445 -0.47907168 1 79 1 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 0 1.909054 4.649214 -2.6636143 1 80 1 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 0 0.48502776 4.5706363 -2.9638057 1 81 1 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 0 0.14817329 5.7211485 -3.8948278 1 82 1 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 0 0.34606752 6.885192 -3.545681 1 83 1 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 0 -0.36902556 4.6313944 -1.6806059 1 84 1 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 0 -1.8502113 4.736909 -2.0351515 1 85 1 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 0 -0.107617885 3.402113 -0.8229579 1 86 1 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 0 -0.33583498 5.4192905 -5.069327 1 87 1 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 0 -0.59723747 6.4191504 -6.098775 1 88 1 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 0 -1.9251482 6.1355047 -6.7899637 1 89 1 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 0 -2.1223936 5.038018 -7.309886 1 90 1 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 0 0.530573 6.414233 -7.135843 1 91 1 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 0 1.8873318 6.6657104 -6.5338945 1 92 1 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 0 2.999086 6.3774714 -7.5315742 1 93 1 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 0 4.270415 6.264202 -6.859083 1 94 1 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 0 5.3203187 5.6258464 -7.3399577 1 95 1 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 0 6.437434 5.5606937 -6.629869 1 96 1 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 0 5.2479515 5.0471234 -8.516275 1 97 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -2.805356 7.1287074 -6.7953315 1 98 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -4.073081 6.973042 -7.4777656 1 99 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -4.8914485 5.798856 -6.9800987 1 100 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -5.540491 5.120699 -7.772172 1 101 1 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 0 -4.871773 5.5678744 -5.672845 1 102 1 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 0 -5.6449537 4.4923315 -5.0889215 1 103 1 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 0 -5.0841923 3.1061509 -5.3162193 1 104 1 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 0 -5.8100996 2.1248527 -5.195523 1 105 1 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 0 -3.8078275 3.039168 -5.630206 1 106 1 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 0 -3.1539032 1.7783022 -5.950668 1 107 1 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 0 -1.8263197 1.6751117 -5.207264 1 108 1 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 0 -1.0553075 2.6440825 -5.192499 1 109 1 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 0 -2.9218824 1.7217538 -7.4616604 1 110 1 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 0 -2.2462668 0.47716945 -7.9784613 1 111 1 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 0 -0.89931756 0.48953605 -8.327766 1 112 1 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 0 -2.9526696 -0.7062222 -8.145693 1 113 1 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 0 -0.2787172 -0.6498515 -8.821494 1 114 1 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 0 -2.339285 -1.852401 -8.642559 1 115 1 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 0 -1.0004723 -1.812109 -8.973729 1 116 1 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 0 -0.38288027 -2.943541 -9.464806 1 117 1 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 0 -1.5692388 0.52732825 -4.5720224 1 118 1 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 0 -0.29026634 0.3223415 -3.921361 1 119 1 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 0 0.69984716 -0.20826012 -4.951085 1 120 1 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 0 0.5316069 -1.3124032 -5.462251 1 121 1 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 0 -0.41974023 -0.6668204 -2.758954 1 122 1 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 0 1.1545118 -1.0603397 -1.9919677 1 123 1 +ATOM N N . THR A0 1 19 . 19 THR A0 N 0 1.7208748 0.57883203 -5.223427 1 124 1 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 0 2.707768 0.1778245 -6.2191525 1 125 1 +ATOM C C . THR A0 1 19 . 19 THR A0 C 0 3.6723554 -0.86884874 -5.6808286 1 126 1 +ATOM O O . THR A0 1 19 . 19 THR A0 O 0 4.4304557 -1.4508662 -6.4632845 1 127 1 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 0 3.502328 1.402394 -6.7283754 1 128 1 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 0 4.235269 1.9806846 -5.653238 1 129 1 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 0 2.5419009 2.4499593 -7.308899 1 130 1 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 0 3.62421 -1.1187904 -4.372711 1 131 1 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 0 4.4963465 -2.1311948 -3.7860734 1 132 1 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 0 3.894359 -3.5294337 -3.8761365 1 133 1 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 0 4.5375547 -4.455509 -4.3748236 1 134 1 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 0 4.7989454 -1.7884636 -2.327479 1 135 1 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 0 5.8308945 -2.7203703 -1.739485 1 136 1 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 0 6.9278803 -2.8457444 -2.274852 1 137 1 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 0 5.468942 -3.3696313 -0.64528453 1 138 1 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 0 2.653525 -3.6922903 -3.3822165 1 139 1 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 0 2.050743 -5.022284 -3.3459501 1 140 1 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 0 0.89766836 -5.2092133 -4.32084 1 141 1 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 0 0.40364653 -6.33191 -4.469145 1 142 1 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 0 1.5845678 -5.3502717 -1.9275448 1 143 1 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 0 0.10899442 -4.491394 -1.3644373 1 144 1 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 0 0.45122033 -4.1574683 -4.961611 1 145 1 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 0 -0.61197174 -4.258045 -5.945238 1 146 1 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 0 -2.019373 -4.103671 -5.4064035 1 147 1 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 0 -2.9764986 -4.1668806 -6.173625 1 148 1 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 0 -2.1657348 -3.8844974 -4.08861 1 149 1 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 0 -3.4896488 -3.6963975 -3.5158753 1 150 1 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 0 -4.0779095 -2.3918552 -4.044117 1 151 1 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 0 -3.3609123 -1.4545159 -4.368057 1 152 1 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 0 -3.416471 -3.6690567 -1.9928792 1 153 1 +ATOM N N . SER A0 1 24 . 24 SER A0 N 0 -5.403694 -2.3257618 -4.111906 1 154 1 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 0 -6.0403233 -1.1152894 -4.6004963 1 155 1 +ATOM C C . SER A0 1 24 . 24 SER A0 C 0 -7.3460655 -0.86526847 -3.879981 1 156 1 +ATOM O O . SER A0 1 24 . 24 SER A0 O 0 -7.7895 -1.6668878 -3.060947 1 157 1 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 0 -6.2815666 -1.2033217 -6.1158233 1 158 1 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 0 -7.1410513 -2.2716196 -6.42784 1 159 1 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 0 -7.9621043 0.13841861 -4.1854324 1 160 1 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 0 -9.072922 0.74041617 -3.6093552 1 161 1 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 0 -9.419422 0.21840864 -2.2563076 1 162 1 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 0 -9.363623 0.9462557 -1.2260137 1 163 1 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 0 -8.641039 2.3137417 -3.3310692 1 164 1 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 0 -10.428935 0.839088 -4.519558 1 165 1 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 0 -10.053568 -0.88868105 -2.1321328 1 166 1 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 0 -10.60343 -1.3728018 -0.887474 1 167 1 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 0 -9.572692 -1.4740446 0.22025044 1 168 1 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 0 -9.941659 -1.4493718 1.3934832 1 169 1 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 0 -11.29434 -2.7148705 -1.0820941 1 170 1 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 0 -12.542154 -2.6073687 -1.9397943 1 171 1 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 0 -13.179349 -1.5378933 -1.965847 1 172 1 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 0 -12.887148 -3.6009908 -2.596406 1 173 1 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 0 -8.294691 -1.5512941 -0.10552331 1 174 1 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 0 -7.2485704 -1.6812791 0.9108321 1 175 1 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 0 -6.372513 -0.43622747 1.0370331 1 176 1 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 0 -5.419222 -0.45150036 1.825462 1 177 1 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 0 -6.389346 -2.8993247 0.6044127 1 178 1 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 0 -7.172178 -4.2120876 0.634586 1 179 1 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 0 -7.6535287 -4.5742016 2.0221357 1 180 1 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 0 -6.5714235 -4.88396 2.943616 1 181 1 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 0 -6.7268276 -5.2201223 4.214978 1 182 1 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 0 -7.9499335 -5.3098626 4.7143955 1 183 1 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 0 -5.6662297 -5.481032 4.961857 1 184 1 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 0 -6.684816 0.6174725 0.30950144 1 185 1 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 0 -5.9209127 1.8615294 0.3738534 1 186 1 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 0 -6.739784 2.8825936 1.1598899 1 187 1 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 0 -7.907602 3.105335 0.86378324 1 188 1 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 0 -5.6147666 2.4092028 -1.030798 1 189 1 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 0 -4.8610163 1.363046 -1.8500683 1 190 1 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 0 -4.832896 3.728724 -0.939078 1 191 1 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 0 -3.5779905 0.8503274 -1.2607006 1 192 1 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 0 -6.127946 3.4850996 2.1492162 1 193 1 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 0 -6.8343573 4.408131 3.025566 1 194 1 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 0 -6.1378207 5.7248354 3.1565228 1 195 1 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 0 -4.9345407 5.777571 3.1782022 1 196 1 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 0 -6.9878273 3.824894 4.4274 1 197 1 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 0 -7.7102766 2.4917278 4.437585 1 198 1 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 0 -9.147381 2.6282258 3.9551485 1 199 1 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 0 -9.809525 1.3380527 3.8737576 1 200 1 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 0 -10.900154 1.0939486 3.188248 1 201 1 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 0 -11.414579 -0.120391265 3.1756651 1 202 1 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 0 -11.483274 2.0776079 2.509403 1 203 1 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 0 -6.611272 7.012693 3.3598533 1 204 1 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 0 -8.042381 -4.826556 -6.4112115 1 205 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3.cif new file mode 100644 index 0000000000000000000000000000000000000000..dc7982a39a86e007290a6380d56f431841189612 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3.cif @@ -0,0 +1,313 @@ +data_5sbj-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 94.53 3.9802969 -5.7408657 0.18829544 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 91.02 4.234247 -5.849786 -0.9593314 1 2 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 90.23 4.884122 -5.286503 1.2496831 1 3 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 95.7 2.6575737 -5.7961283 0.21455707 1 4 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 95.7 1.5102493 -5.546593 -0.5452359 1 5 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 96.09 0.5072495 -4.7373843 0.23746923 1 6 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 95.31 0.5267921 -4.717891 1.4674001 1 7 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 95.31 0.9357383 -6.8491755 -1.0476055 1 8 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 94.14 0.20818724 -7.6591277 -0.008914555 1 9 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 92.97 0.86991024 -8.614325 0.7456911 1 10 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 92.19 -1.1490147 -7.495158 0.19762102 1 11 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 91.41 0.1959103 -9.371765 1.6808343 1 12 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 91.02 -1.8241727 -8.251744 1.1337849 1 13 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 91.41 -1.1434172 -9.184717 1.8656359 1 14 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 91.41 -1.8064855 -9.936077 2.7901847 1 15 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 96.48 -0.34620675 -4.0776367 -0.4668352 1 16 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 96.48 -1.4316642 -3.314386 0.122023985 1 17 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 96.48 -2.6707988 -4.1969757 0.2196886 1 18 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 96.09 -3.138895 -4.713427 -0.79930115 1 19 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 96.88 -1.7415893 -2.0830574 -0.7318094 1 20 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 96.48 -3.1556766 -1.1543221 -0.16071656 1 21 +ATOM N N . SER A0 1 4 . 4 SER A0 N 97.27 -3.1901765 -4.3790274 1.4102621 1 22 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 96.88 -4.367482 -5.22656 1.5992801 1 23 +ATOM C C . SER A0 1 4 . 4 SER A0 C 96.88 -5.6343136 -4.608067 1.0203091 1 24 +ATOM O O . SER A0 1 4 . 4 SER A0 O 96.48 -6.611688 -5.322867 0.77953136 1 25 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 96.88 -4.5649614 -5.55166 3.0830798 1 26 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 94.14 -4.8463497 -4.395603 3.8327856 1 27 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 96.88 -5.6255054 -3.3069255 0.77019835 1 28 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 96.88 -6.805231 -2.6543357 0.1969536 1 29 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 96.88 -6.9311805 -2.859056 -1.3114514 1 30 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 96.48 -8.028731 -3.0831914 -1.8162899 1 31 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 96.48 -6.7944965 -1.1491425 0.4913088 1 32 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 95.31 -7.2249923 -0.8183509 1.9070188 1 33 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 94.53 -7.602651 -1.740022 2.6624227 1 34 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 94.14 -7.1859255 0.37682414 2.2640898 1 35 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 96.88 -5.810504 -2.751867 -2.0440202 1 36 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 96.88 -5.8912716 -2.8067594 -3.503406 1 37 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 96.88 -4.9856243 -3.8484497 -4.141827 1 38 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 96.48 -5.0153055 -4.022323 -5.366557 1 39 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 96.48 -5.5810585 -1.4284763 -4.1012726 1 40 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 96.48 -3.8763914 -0.8990651 -3.9556139 1 41 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 96.48 -4.1733513 -4.5620594 -3.3594365 1 42 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 95.7 -3.315967 -5.610298 -3.8876333 1 43 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 96.09 -2.0408201 -5.124264 -4.5421133 1 44 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 96.48 -1.3484132 -5.911225 -5.186491 1 45 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 96.88 -1.7142922 -3.8388245 -4.382897 1 46 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 96.48 -0.47877216 -3.3157103 -4.945102 1 47 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 96.48 0.70648885 -4.101009 -4.3984804 1 48 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 96.09 0.7203977 -4.478118 -3.225071 1 49 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 96.09 -0.32965073 -1.833241 -4.6208425 1 50 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 96.48 1.7221346 -4.33794 -5.234018 1 51 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 96.09 2.873557 -5.1342974 -4.838367 1 52 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 96.09 4.0496693 -4.274556 -4.4345036 1 53 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 95.7 3.936292 -3.0445523 -4.331749 1 54 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 95.7 3.2503977 -6.120083 -5.9500003 1 55 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 94.53 3.6980333 -5.4620843 -7.242509 1 56 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 93.36 4.1153564 -4.2823772 -7.223466 1 57 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 92.19 3.6467502 -6.1309185 -8.288824 1 58 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 95.31 5.173914 -4.917897 -4.2509527 1 59 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 95.7 6.408066 -4.275783 -3.7932324 1 60 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 95.31 6.7659345 -2.984004 -4.5161295 1 61 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 94.92 7.2558727 -2.0405996 -3.9464424 1 62 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 94.92 6.657058 -4.1446705 -2.3182335 1 63 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 94.92 7.618167 -5.290742 -4.3906965 1 64 +ATOM N N . SER A0 1 11 . 11 SER A0 N 96.48 6.5868273 -2.9716525 -5.771099 1 65 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 96.09 6.9624777 -1.8266219 -6.5775166 1 66 +ATOM C C . SER A0 1 11 . 11 SER A0 C 96.48 6.061193 -0.63409793 -6.3202896 1 67 +ATOM O O . SER A0 1 11 . 11 SER A0 O 96.09 6.42381 0.49814606 -6.653037 1 68 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 96.09 6.948016 -2.1855254 -8.067046 1 69 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 93.36 5.6407056 -2.4057221 -8.538583 1 70 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 96.88 4.9033823 -0.8651785 -5.7026434 1 71 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 96.88 3.9289224 0.19249767 -5.47118 1 72 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 96.48 3.683926 0.4639085 -3.9853802 1 73 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 96.88 2.7482133 1.189888 -3.6438432 1 74 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 96.88 2.6153035 -0.17632717 -6.1646447 1 75 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 95.7 2.7664568 -0.31504357 -7.662563 1 76 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 94.53 1.7667785 -1.2585391 -8.280556 1 77 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 92.58 1.0715697 -2.0049653 -7.5962877 1 78 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 92.19 1.6965512 -1.2464454 -9.592139 1 79 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 96.48 4.5120244 -0.11142117 -3.113752 1 80 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 96.48 4.4205065 0.09008776 -1.6724265 1 81 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 96.09 5.7594776 0.6305767 -1.1990873 1 82 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 95.7 6.7831373 -0.02962069 -1.3338443 1 83 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 96.48 4.065082 -1.2218826 -0.94128156 1 84 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 94.92 4.149537 -1.027955 0.5637961 1 85 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 94.53 2.6773767 -1.6904773 -1.3501337 1 86 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 96.09 5.7696977 1.8529649 -0.6644315 1 87 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 95.7 7.0031805 2.5315006 -0.29128784 1 88 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 96.09 6.8434515 3.2831278 1.0271147 1 89 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 95.31 5.9039145 4.0577073 1.1762044 1 90 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 95.31 7.4266706 3.5421205 -1.3771665 1 91 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 93.36 7.6555877 2.9151645 -2.7147503 1 92 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 91.41 8.045598 3.9714065 -3.744664 1 93 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 88.67 8.226232 3.361534 -5.0307693 1 94 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 87.5 8.497654 4.008213 -6.1422853 1 95 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 85.16 8.635513 3.3497362 -7.275665 1 96 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 85.55 8.641152 5.3211374 -6.1146097 1 97 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 95.31 7.789083 3.0560741 1.9530196 1 98 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 94.92 7.8115644 3.8118234 3.193075 1 99 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 95.7 6.5274787 3.7531402 3.9949365 1 100 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 94.92 6.179039 4.7223005 4.6746187 1 101 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 96.09 5.8401623 2.6245928 3.9401557 1 102 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 95.7 4.616561 2.4538605 4.6956787 1 103 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 96.48 3.3605466 2.9003692 3.9879282 1 104 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 95.31 2.2809038 2.8133328 4.569146 1 105 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 96.48 3.4895585 3.3582263 2.732798 1 106 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 96.48 2.344943 3.8424156 1.9695909 1 107 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 96.48 2.1543155 3.0702767 0.6743214 1 108 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 96.09 3.124702 2.7267265 0.0027912168 1 109 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 96.09 2.5170655 5.3132224 1.5958418 1 110 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 94.53 2.0923402 6.2732835 2.6658986 1 111 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 92.97 2.9742317 6.676122 3.6546917 1 112 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 92.58 0.80653083 6.79101 2.6776628 1 113 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 91.02 2.583383 7.5579157 4.6416883 1 114 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 91.02 0.4048649 7.676341 3.6592457 1 115 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 91.41 1.3000884 8.054395 4.6330085 1 116 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 91.02 0.90739954 8.93413 5.6102138 1 117 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 96.48 0.902915 2.826825 0.31957138 1 118 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 96.48 0.5668255 2.3112226 -0.99575704 1 119 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 96.09 0.48082885 3.4995615 -1.9490646 1 120 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 96.09 -0.28527254 4.4289064 -1.7101302 1 121 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 96.48 -0.7789745 1.5706437 -0.9597024 1 122 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 96.09 -1.3755696 1.0808694 -2.5726345 1 123 +ATOM N N . THR A0 1 19 . 19 THR A0 N 96.88 1.2619066 3.4535868 -3.0349696 1 124 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 96.09 1.2555155 4.5647554 -3.9827309 1 125 +ATOM C C . THR A0 1 19 . 19 THR A0 C 96.09 0.039941464 4.5365553 -4.9034414 1 126 +ATOM O O . THR A0 1 19 . 19 THR A0 O 96.09 -0.23872903 5.536025 -5.5714407 1 127 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 96.09 2.5429435 4.5895233 -4.837472 1 128 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 94.53 2.604555 3.419016 -5.6408167 1 129 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 93.75 3.7735472 4.666999 -3.9391844 1 130 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 97.27 -0.69173133 3.4102669 -4.9322906 1 131 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 96.48 -1.9148035 3.3273377 -5.7335153 1 132 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 96.48 -3.1032083 3.9852026 -5.041355 1 133 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 95.7 -3.8215225 4.7740335 -5.651611 1 134 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 96.48 -2.2663145 1.8736494 -6.0398316 1 135 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 96.09 -1.4360352 1.2895124 -7.1616426 1 136 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 93.75 -0.63272864 1.9819268 -7.7686224 1 137 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 92.97 -1.6566819 0.0068153664 -7.4303246 1 138 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 96.88 -3.3362408 3.6271734 -3.7658277 1 139 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 96.48 -4.5447636 4.0821943 -3.0826979 1 140 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 96.09 -4.283796 4.9319515 -1.8512821 1 141 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 95.7 -5.2234945 5.4695053 -1.2606906 1 142 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 96.48 -5.415716 2.8861046 -2.7020528 1 143 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 95.7 -4.7584934 1.8252339 -1.4160684 1 144 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 96.48 -3.021366 5.071803 -1.434353 1 145 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 96.09 -2.6770196 5.8931203 -0.2875808 1 146 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 96.09 -2.828161 5.219713 1.058696 1 147 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 96.09 -2.6277525 5.860798 2.0889351 1 148 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 96.48 -3.1746135 3.9190276 1.0686971 1 149 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 96.48 -3.3214123 3.194331 2.3235512 1 150 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 96.48 -1.9809954 3.1451416 3.0439925 1 151 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 96.09 -0.9260162 3.1390672 2.4232206 1 152 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 96.48 -3.8427289 1.7863839 2.071619 1 153 +ATOM N N . SER A0 1 24 . 24 SER A0 N 96.09 -2.0125413 3.0868359 4.3820734 1 154 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 95.7 -0.7751119 3.0818121 5.151158 1 155 +ATOM C C . SER A0 1 24 . 24 SER A0 C 95.7 -0.9017918 2.2478757 6.41007 1 156 +ATOM O O . SER A0 1 24 . 24 SER A0 O 95.31 -1.9788202 1.7556722 6.7524405 1 157 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 95.31 -0.37175536 4.5158777 5.5204306 1 158 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 94.14 -1.3594244 5.1216326 6.328226 1 159 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 94.92 0.06633262 2.1265786 7.085212 1 160 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 95.31 0.35734117 1.3887069 8.264086 1 161 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 94.92 -0.33292636 0.073508725 8.3273 1 162 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 94.14 0.091066755 -0.8866358 7.7437997 1 163 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 94.53 1.9353155 0.9875171 8.131632 1 164 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 94.14 0.27959272 2.3309176 9.574261 1 165 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 94.53 -1.3738519 -0.18382266 9.096022 1 166 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 94.14 -1.9481856 -1.490603 9.320661 1 167 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 94.53 -2.400678 -2.1684039 8.048218 1 168 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 94.14 -2.5932536 -3.386351 8.040127 1 169 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 93.75 -3.0858202 -1.4323046 10.33749 1 170 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 91.8 -4.295335 -0.65176094 9.882773 1 171 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 90.23 -4.1383944 0.28086483 9.076813 1 172 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 89.06 -5.39678 -0.96152884 10.354523 1 173 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 96.48 -2.5274467 -1.4351017 6.941745 1 174 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 96.09 -2.9844956 -2.0193229 5.6895714 1 175 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 96.09 -1.8475107 -2.4582138 4.7664185 1 176 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 95.7 -2.107514 -3.047991 3.7211254 1 177 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 95.7 -3.920194 -1.0439309 4.982033 1 178 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 93.36 -5.128149 -0.7269722 5.8229065 1 179 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 92.58 -6.175436 0.08635168 5.1109004 1 180 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 90.62 -7.2694664 0.44150203 5.9868293 1 181 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 89.84 -8.325771 -0.32546225 6.213663 1 182 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 87.89 -9.268288 0.072012894 7.049126 1 183 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 87.89 -8.435549 -1.4911668 5.602684 1 184 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 95.31 -0.5915034 -2.181518 5.143132 1 185 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 94.92 0.5722444 -2.620288 4.3783193 1 186 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 94.53 1.1334457 -3.868895 5.0469775 1 187 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 93.36 1.434548 -3.8500142 6.236583 1 188 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 94.92 1.6496193 -1.518882 4.3109827 1 189 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 93.75 1.0679934 -0.24230689 3.695181 1 190 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 93.36 2.8779948 -2.0078995 3.5394561 1 191 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 91.8 0.47085392 -0.38358325 2.3286662 1 192 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 94.14 1.2609354 -4.9405675 4.2863607 1 193 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 92.97 1.6536419 -6.239452 4.8173203 1 194 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 92.97 2.9852545 -6.6973963 4.296183 1 195 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 91.02 3.2396197 -6.600502 3.1256032 1 196 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 92.19 0.62085664 -7.30542 4.4616146 1 197 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 89.45 -0.799104 -6.8967447 4.7170887 1 198 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 86.72 -1.139823 -6.993926 6.1876965 1 199 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 83.98 -2.5303898 -6.6591287 6.428648 1 200 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 81.64 -3.1187212 -6.7962065 7.577155 1 201 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 79.69 -4.385784 -6.4571896 7.7032585 1 202 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 79.69 -2.4449081 -7.3013926 8.604658 1 203 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 88.67 4.071163 -7.3692217 4.891929 1 204 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 80.08 9.209407 1.4719121 5.351515 1 205 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..48c25a8eb74ebb49d4e38391b7d3a185f08d025a --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_3_postprocessed.cif @@ -0,0 +1,320 @@ +data_5sbj-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 0 3.9802969 -5.7408657 0.18829544 1 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 0 4.234247 -5.849786 -0.9593314 1 2 1 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 0 4.884122 -5.286503 1.2496831 1 3 1 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 0 2.6575737 -5.7961283 0.21455707 1 4 1 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 0 1.5102493 -5.546593 -0.5452359 1 5 1 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 0 0.5072495 -4.7373843 0.23746923 1 6 1 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 0 0.5267921 -4.717891 1.4674001 1 7 1 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 0 0.9357383 -6.8491755 -1.0476055 1 8 1 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 0 0.20818724 -7.6591277 -0.008914555 1 9 1 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 0 0.86991024 -8.614325 0.7456911 1 10 1 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 0 -1.1490147 -7.495158 0.19762102 1 11 1 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 0 0.1959103 -9.371765 1.6808343 1 12 1 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 0 -1.8241727 -8.251744 1.1337849 1 13 1 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 0 -1.1434172 -9.184717 1.8656359 1 14 1 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 0 -1.8064855 -9.936077 2.7901847 1 15 1 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 0 -0.34620675 -4.0776367 -0.4668352 1 16 1 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 0 -1.4316642 -3.314386 0.122023985 1 17 1 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 0 -2.6707988 -4.1969757 0.2196886 1 18 1 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 0 -3.138895 -4.713427 -0.79930115 1 19 1 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 0 -1.7415893 -2.0830574 -0.7318094 1 20 1 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 0 -3.1556766 -1.1543221 -0.16071656 1 21 1 +ATOM N N . SER A0 1 4 . 4 SER A0 N 0 -3.1901765 -4.3790274 1.4102621 1 22 1 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 0 -4.367482 -5.22656 1.5992801 1 23 1 +ATOM C C . SER A0 1 4 . 4 SER A0 C 0 -5.6343136 -4.608067 1.0203091 1 24 1 +ATOM O O . SER A0 1 4 . 4 SER A0 O 0 -6.611688 -5.322867 0.77953136 1 25 1 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 0 -4.5649614 -5.55166 3.0830798 1 26 1 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 0 -4.8463497 -4.395603 3.8327856 1 27 1 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 0 -5.6255054 -3.3069255 0.77019835 1 28 1 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 0 -6.805231 -2.6543357 0.1969536 1 29 1 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 0 -6.9311805 -2.859056 -1.3114514 1 30 1 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 0 -8.028731 -3.0831914 -1.8162899 1 31 1 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 0 -6.7944965 -1.1491425 0.4913088 1 32 1 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 0 -7.2249923 -0.8183509 1.9070188 1 33 1 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 0 -7.602651 -1.740022 2.6624227 1 34 1 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 0 -7.1859255 0.37682414 2.2640898 1 35 1 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 0 -5.810504 -2.751867 -2.0440202 1 36 1 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 0 -5.8912716 -2.8067594 -3.503406 1 37 1 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 0 -4.9856243 -3.8484497 -4.141827 1 38 1 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 0 -5.0153055 -4.022323 -5.366557 1 39 1 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 0 -5.5810585 -1.4284763 -4.1012726 1 40 1 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 0 -3.8763914 -0.8990651 -3.9556139 1 41 1 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 0 -4.1733513 -4.5620594 -3.3594365 1 42 1 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 0 -3.315967 -5.610298 -3.8876333 1 43 1 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 0 -2.0408201 -5.124264 -4.5421133 1 44 1 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 0 -1.3484132 -5.911225 -5.186491 1 45 1 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 0 -1.7142922 -3.8388245 -4.382897 1 46 1 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 0 -0.47877216 -3.3157103 -4.945102 1 47 1 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 0 0.70648885 -4.101009 -4.3984804 1 48 1 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 0 0.7203977 -4.478118 -3.225071 1 49 1 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 0 -0.32965073 -1.833241 -4.6208425 1 50 1 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 0 1.7221346 -4.33794 -5.234018 1 51 1 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 0 2.873557 -5.1342974 -4.838367 1 52 1 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 0 4.0496693 -4.274556 -4.4345036 1 53 1 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 0 3.936292 -3.0445523 -4.331749 1 54 1 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 0 3.2503977 -6.120083 -5.9500003 1 55 1 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 0 3.6980333 -5.4620843 -7.242509 1 56 1 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 0 4.1153564 -4.2823772 -7.223466 1 57 1 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 0 3.6467502 -6.1309185 -8.288824 1 58 1 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 0 5.173914 -4.917897 -4.2509527 1 59 1 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 0 6.408066 -4.275783 -3.7932324 1 60 1 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 0 6.7659345 -2.984004 -4.5161295 1 61 1 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 0 7.2558727 -2.0405996 -3.9464424 1 62 1 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 0 6.657058 -4.1446705 -2.3182335 1 63 1 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 0 7.618167 -5.290742 -4.3906965 1 64 1 +ATOM N N . SER A0 1 11 . 11 SER A0 N 0 6.5868273 -2.9716525 -5.771099 1 65 1 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 0 6.9624777 -1.8266219 -6.5775166 1 66 1 +ATOM C C . SER A0 1 11 . 11 SER A0 C 0 6.061193 -0.63409793 -6.3202896 1 67 1 +ATOM O O . SER A0 1 11 . 11 SER A0 O 0 6.42381 0.49814606 -6.653037 1 68 1 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 0 6.948016 -2.1855254 -8.067046 1 69 1 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 0 5.6407056 -2.4057221 -8.538583 1 70 1 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 0 4.9033823 -0.8651785 -5.7026434 1 71 1 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 0 3.9289224 0.19249767 -5.47118 1 72 1 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 0 3.683926 0.4639085 -3.9853802 1 73 1 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 0 2.7482133 1.189888 -3.6438432 1 74 1 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 0 2.6153035 -0.17632717 -6.1646447 1 75 1 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 0 2.7664568 -0.31504357 -7.662563 1 76 1 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 0 1.7667785 -1.2585391 -8.280556 1 77 1 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 0 1.0715697 -2.0049653 -7.5962877 1 78 1 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 0 1.6965512 -1.2464454 -9.592139 1 79 1 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 0 4.5120244 -0.11142117 -3.113752 1 80 1 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 0 4.4205065 0.09008776 -1.6724265 1 81 1 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 0 5.7594776 0.6305767 -1.1990873 1 82 1 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 0 6.7831373 -0.02962069 -1.3338443 1 83 1 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 0 4.065082 -1.2218826 -0.94128156 1 84 1 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 0 4.149537 -1.027955 0.5637961 1 85 1 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 0 2.6773767 -1.6904773 -1.3501337 1 86 1 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 0 5.7696977 1.8529649 -0.6644315 1 87 1 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 0 7.0031805 2.5315006 -0.29128784 1 88 1 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 0 6.8434515 3.2831278 1.0271147 1 89 1 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 0 5.9039145 4.0577073 1.1762044 1 90 1 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 0 7.4266706 3.5421205 -1.3771665 1 91 1 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 0 7.6555877 2.9151645 -2.7147503 1 92 1 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 0 8.045598 3.9714065 -3.744664 1 93 1 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 0 8.226232 3.361534 -5.0307693 1 94 1 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 0 8.497654 4.008213 -6.1422853 1 95 1 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 0 8.635513 3.3497362 -7.275665 1 96 1 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 0 8.641152 5.3211374 -6.1146097 1 97 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 7.789083 3.0560741 1.9530196 1 98 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 7.8115644 3.8118234 3.193075 1 99 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 6.5274787 3.7531402 3.9949365 1 100 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 6.179039 4.7223005 4.6746187 1 101 1 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 0 5.8401623 2.6245928 3.9401557 1 102 1 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 0 4.616561 2.4538605 4.6956787 1 103 1 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 0 3.3605466 2.9003692 3.9879282 1 104 1 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 0 2.2809038 2.8133328 4.569146 1 105 1 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 0 3.4895585 3.3582263 2.732798 1 106 1 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 0 2.344943 3.8424156 1.9695909 1 107 1 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 0 2.1543155 3.0702767 0.6743214 1 108 1 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 0 3.124702 2.7267265 0.0027912168 1 109 1 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 0 2.5170655 5.3132224 1.5958418 1 110 1 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 0 2.0923402 6.2732835 2.6658986 1 111 1 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 0 2.9742317 6.676122 3.6546917 1 112 1 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 0 0.80653083 6.79101 2.6776628 1 113 1 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 0 2.583383 7.5579157 4.6416883 1 114 1 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 0 0.4048649 7.676341 3.6592457 1 115 1 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 0 1.3000884 8.054395 4.6330085 1 116 1 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 0 0.90739954 8.93413 5.6102138 1 117 1 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 0 0.902915 2.826825 0.31957138 1 118 1 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 0 0.5668255 2.3112226 -0.99575704 1 119 1 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 0 0.48082885 3.4995615 -1.9490646 1 120 1 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 0 -0.28527254 4.4289064 -1.7101302 1 121 1 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 0 -0.7789745 1.5706437 -0.9597024 1 122 1 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 0 -1.3755696 1.0808694 -2.5726345 1 123 1 +ATOM N N . THR A0 1 19 . 19 THR A0 N 0 1.2619066 3.4535868 -3.0349696 1 124 1 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 0 1.2555155 4.5647554 -3.9827309 1 125 1 +ATOM C C . THR A0 1 19 . 19 THR A0 C 0 0.039941464 4.5365553 -4.9034414 1 126 1 +ATOM O O . THR A0 1 19 . 19 THR A0 O 0 -0.23872903 5.536025 -5.5714407 1 127 1 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 0 2.5429435 4.5895233 -4.837472 1 128 1 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 0 2.604555 3.419016 -5.6408167 1 129 1 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 0 3.7735472 4.666999 -3.9391844 1 130 1 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 0 -0.69173133 3.4102669 -4.9322906 1 131 1 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 0 -1.9148035 3.3273377 -5.7335153 1 132 1 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 0 -3.1032083 3.9852026 -5.041355 1 133 1 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 0 -3.8215225 4.7740335 -5.651611 1 134 1 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 0 -2.2663145 1.8736494 -6.0398316 1 135 1 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 0 -1.4360352 1.2895124 -7.1616426 1 136 1 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 0 -0.63272864 1.9819268 -7.7686224 1 137 1 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 0 -1.6566819 0.0068153664 -7.4303246 1 138 1 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 0 -3.3362408 3.6271734 -3.7658277 1 139 1 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 0 -4.5447636 4.0821943 -3.0826979 1 140 1 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 0 -4.283796 4.9319515 -1.8512821 1 141 1 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 0 -5.2234945 5.4695053 -1.2606906 1 142 1 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 0 -5.415716 2.8861046 -2.7020528 1 143 1 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 0 -4.7584934 1.8252339 -1.4160684 1 144 1 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 0 -3.021366 5.071803 -1.434353 1 145 1 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 0 -2.6770196 5.8931203 -0.2875808 1 146 1 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 0 -2.828161 5.219713 1.058696 1 147 1 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 0 -2.6277525 5.860798 2.0889351 1 148 1 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 0 -3.1746135 3.9190276 1.0686971 1 149 1 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 0 -3.3214123 3.194331 2.3235512 1 150 1 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 0 -1.9809954 3.1451416 3.0439925 1 151 1 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 0 -0.9260162 3.1390672 2.4232206 1 152 1 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 0 -3.8427289 1.7863839 2.071619 1 153 1 +ATOM N N . SER A0 1 24 . 24 SER A0 N 0 -2.0125413 3.0868359 4.3820734 1 154 1 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 0 -0.7751119 3.0818121 5.151158 1 155 1 +ATOM C C . SER A0 1 24 . 24 SER A0 C 0 -0.9017918 2.2478757 6.41007 1 156 1 +ATOM O O . SER A0 1 24 . 24 SER A0 O 0 -1.9788202 1.7556722 6.7524405 1 157 1 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 0 -0.37175536 4.5158777 5.5204306 1 158 1 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 0 -1.3594244 5.1216326 6.328226 1 159 1 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 0 0.06633262 2.1265786 7.085212 1 160 1 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 0 0.35734117 1.3887069 8.264086 1 161 1 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 0 -0.33292636 0.073508725 8.3273 1 162 1 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 0 0.091066755 -0.8866358 7.7437997 1 163 1 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 0 1.9353155 0.9875171 8.131632 1 164 1 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 0 0.27959272 2.3309176 9.574261 1 165 1 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 0 -1.3738519 -0.18382266 9.096022 1 166 1 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 0 -1.9481856 -1.490603 9.320661 1 167 1 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 0 -2.400678 -2.1684039 8.048218 1 168 1 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 0 -2.5932536 -3.386351 8.040127 1 169 1 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 0 -3.0858202 -1.4323046 10.33749 1 170 1 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 0 -4.295335 -0.65176094 9.882773 1 171 1 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 0 -4.1383944 0.28086483 9.076813 1 172 1 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 0 -5.39678 -0.96152884 10.354523 1 173 1 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 0 -2.5274467 -1.4351017 6.941745 1 174 1 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 0 -2.9844956 -2.0193229 5.6895714 1 175 1 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 0 -1.8475107 -2.4582138 4.7664185 1 176 1 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 0 -2.107514 -3.047991 3.7211254 1 177 1 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 0 -3.920194 -1.0439309 4.982033 1 178 1 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 0 -5.128149 -0.7269722 5.8229065 1 179 1 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 0 -6.175436 0.08635168 5.1109004 1 180 1 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 0 -7.2694664 0.44150203 5.9868293 1 181 1 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 0 -8.325771 -0.32546225 6.213663 1 182 1 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 0 -9.268288 0.072012894 7.049126 1 183 1 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 0 -8.435549 -1.4911668 5.602684 1 184 1 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 0 -0.5915034 -2.181518 5.143132 1 185 1 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 0 0.5722444 -2.620288 4.3783193 1 186 1 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 0 1.1334457 -3.868895 5.0469775 1 187 1 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 0 1.434548 -3.8500142 6.236583 1 188 1 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 0 1.6496193 -1.518882 4.3109827 1 189 1 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 0 1.0679934 -0.24230689 3.695181 1 190 1 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 0 2.8779948 -2.0078995 3.5394561 1 191 1 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 0 0.47085392 -0.38358325 2.3286662 1 192 1 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 0 1.2609354 -4.9405675 4.2863607 1 193 1 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 0 1.6536419 -6.239452 4.8173203 1 194 1 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 0 2.9852545 -6.6973963 4.296183 1 195 1 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 0 3.2396197 -6.600502 3.1256032 1 196 1 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 0 0.62085664 -7.30542 4.4616146 1 197 1 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 0 -0.799104 -6.8967447 4.7170887 1 198 1 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 0 -1.139823 -6.993926 6.1876965 1 199 1 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 0 -2.5303898 -6.6591287 6.428648 1 200 1 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 0 -3.1187212 -6.7962065 7.577155 1 201 1 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 0 -4.385784 -6.4571896 7.7032585 1 202 1 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 0 -2.4449081 -7.3013926 8.604658 1 203 1 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 0 4.071163 -7.3692217 4.891929 1 204 1 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 0 9.209407 1.4719121 5.351515 1 205 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4.cif new file mode 100644 index 0000000000000000000000000000000000000000..750257ef5a2b9757cd19c5191824cb8315b2df16 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4.cif @@ -0,0 +1,313 @@ +data_5sbj-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 93.75 0.16680929 -3.9642463 -3.8575811 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 90.23 -0.96407425 -4.1697693 -3.5993938 1 2 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 89.84 0.67481923 -3.2465835 -5.0302896 1 3 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 95.31 0.75415874 -4.1519275 -2.7273908 1 4 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 94.92 0.7710867 -4.5575223 -1.3990495 1 5 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 94.53 1.3540127 -3.4728456 -0.52069855 1 6 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 94.53 2.423676 -2.9529982 -0.8164916 1 7 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 94.14 1.5699577 -5.83895 -1.3277647 1 8 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 92.97 1.7406814 -6.3961973 0.044916615 1 9 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 91.8 0.8532607 -7.3098154 0.5594113 1 10 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 91.02 2.8343196 -6.0494227 0.8157095 1 11 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 90.23 1.0334175 -7.8606873 1.8034041 1 12 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 89.84 3.0117512 -6.5952115 2.0697577 1 13 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 89.84 2.1068354 -7.498598 2.547357 1 14 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 90.23 2.2887328 -8.035065 3.7751641 1 15 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 95.7 0.67886424 -3.1407 0.5400537 1 16 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 95.7 1.1965033 -2.1842022 1.5046304 1 17 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 94.92 1.9582057 -2.9248204 2.5952332 1 18 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 94.92 1.3694017 -3.6994042 3.3471723 1 19 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 95.7 0.06906638 -1.3609464 2.122658 1 20 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 95.31 0.64092386 -0.2293987 3.3855405 1 21 +ATOM N N . SER A0 1 4 . 4 SER A0 N 96.09 3.2504818 -2.698139 2.687192 1 22 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 95.7 4.060292 -3.3894656 3.6828122 1 23 +ATOM C C . SER A0 1 4 . 4 SER A0 C 96.09 3.8262863 -2.8862662 5.097968 1 24 +ATOM O O . SER A0 1 4 . 4 SER A0 O 95.31 4.2316294 -3.549586 6.056152 1 25 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 95.7 5.544907 -3.303743 3.3182144 1 26 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 93.36 5.9818506 -1.9763094 3.2110462 1 27 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 96.09 3.15538 -1.757291 5.256257 1 28 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 95.7 2.8657732 -1.2656485 6.6016827 1 29 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 95.7 1.6471018 -1.9392837 7.227515 1 30 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 95.31 1.6543415 -2.2445529 8.417057 1 31 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 95.7 2.637392 0.2513125 6.5895815 1 32 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 94.53 3.9231913 1.0497564 6.5278525 1 33 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 93.75 5.0167418 0.4536396 6.5963125 1 34 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 92.97 3.8350098 2.290454 6.4201717 1 35 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 95.7 0.58107346 -2.1661363 6.4488583 1 36 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 95.7 -0.6510639 -2.6942632 7.024376 1 37 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 95.7 -1.1664289 -3.9616303 6.3656807 1 38 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 95.31 -2.1626902 -4.524536 6.8252807 1 39 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 96.09 -1.7508054 -1.6272813 7.0062532 1 40 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 95.7 -2.421338 -1.2526753 5.394496 1 41 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 95.31 -0.5259334 -4.437545 5.3044086 1 42 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 94.53 -0.93412685 -5.6598454 4.6454716 1 43 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 94.53 -2.0551412 -5.5057516 3.6436586 1 44 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 94.92 -2.5434713 -6.5029225 3.1153505 1 45 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 95.7 -2.474594 -4.2739067 3.3476794 1 46 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 95.31 -3.516655 -4.0539947 2.3642695 1 47 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 95.31 -3.040163 -4.567501 1.010169 1 48 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 94.92 -1.8430121 -4.535144 0.70763636 1 49 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 95.31 -3.8646798 -2.5780754 2.2728624 1 50 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 95.31 -3.9713216 -5.0293183 0.16521716 1 51 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 95.31 -3.6196728 -5.5633154 -1.1424379 1 52 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 95.31 -4.164078 -4.6961536 -2.254109 1 53 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 94.92 -4.6496677 -3.582123 -2.023671 1 54 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 94.53 -4.092045 -7.015002 -1.2744066 1 55 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 93.36 -5.6029263 -7.1812034 -1.2076318 1 56 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 92.19 -6.32222 -6.1655016 -1.2133312 1 57 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 91.41 -6.055996 -8.34288 -1.173112 1 58 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 94.53 -4.076026 -5.182136 -3.47434 1 59 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 94.53 -4.502248 -4.4860125 -4.677999 1 60 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 94.53 -5.8218503 -3.7365222 -4.578364 1 61 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 94.14 -6.040575 -2.692895 -5.138438 1 62 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 94.14 -3.5031137 -3.5822504 -5.414403 1 63 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 93.75 -4.907134 -5.6785307 -5.7996936 1 64 +ATOM N N . SER A0 1 11 . 11 SER A0 N 94.92 -6.7261 -4.2570114 -3.854732 1 65 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 94.92 -8.023329 -3.63797 -3.7231426 1 66 +ATOM C C . SER A0 1 11 . 11 SER A0 C 94.92 -7.9736376 -2.373901 -2.8777034 1 67 +ATOM O O . SER A0 1 11 . 11 SER A0 O 94.92 -8.920642 -1.5796462 -2.897336 1 68 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 95.31 -9.038048 -4.629284 -3.1395602 1 69 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 92.58 -8.729886 -4.9359922 -1.8020768 1 70 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 95.7 -6.875842 -2.1408377 -2.1626706 1 71 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 95.31 -6.754675 -0.9969524 -1.271676 1 72 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 95.7 -5.5103974 -0.16046458 -1.5614986 1 73 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 95.7 -5.1099377 0.65032625 -0.72354543 1 74 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 95.31 -6.741969 -1.483771 0.17916007 1 75 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 94.92 -8.041527 -2.1575432 0.56410056 1 76 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 93.75 -7.9133596 -2.9851902 1.8171064 1 77 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 91.41 -7.0069227 -3.8061438 1.9491658 1 78 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 91.41 -8.812805 -2.768351 2.7424884 1 79 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 95.31 -4.9023485 -0.3535024 -2.7385876 1 80 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 94.92 -3.7317262 0.4076326 -3.1604316 1 81 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 94.92 -4.0526657 1.0466089 -4.5005627 1 82 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 94.53 -4.5097046 0.37785178 -5.422688 1 83 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 94.92 -2.4839191 -0.48715246 -3.2611837 1 84 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 93.75 -1.3160713 0.297884 -3.851437 1 85 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 93.36 -2.1157107 -1.0246813 -1.8864653 1 86 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 95.31 -3.8341584 2.3413675 -4.6305847 1 87 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 94.92 -4.2050543 3.089911 -5.827034 1 88 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 94.53 -3.1432264 4.160362 -6.0988083 1 89 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 94.53 -2.8727744 5.0020657 -5.2432194 1 90 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 94.53 -5.57106 3.7452135 -5.608374 1 91 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 92.58 -6.202466 4.35222 -6.8188205 1 92 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 90.62 -7.6318865 4.7652645 -6.5055146 1 93 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 88.67 -8.468026 3.6186137 -6.199855 1 94 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 87.11 -9.648279 3.6687317 -5.6028337 1 95 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 85.55 -10.322794 2.5491793 -5.3649893 1 96 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 85.55 -10.153146 4.8123317 -5.2416077 1 97 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 94.53 -2.549482 4.109585 -7.289334 1 98 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 94.14 -1.5679003 5.113382 -7.6536922 1 99 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 94.53 -0.38023806 5.1991296 -6.7133512 1 100 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 93.75 0.12105629 6.297494 -6.4463143 1 101 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 94.92 0.066313505 4.0557957 -6.2056136 1 102 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 94.92 1.2088233 4.0315123 -5.3123655 1 103 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 95.31 0.91242254 4.4712925 -3.900044 1 104 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 94.92 1.8380117 4.771497 -3.1457167 1 105 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 95.7 -0.3573225 4.498439 -3.5501485 1 106 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 95.31 -0.80579376 4.9955006 -2.2569108 1 107 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 95.31 -1.7161806 3.9703684 -1.5959523 1 108 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 94.92 -2.6077583 3.423552 -2.2486491 1 109 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 94.92 -1.5541849 6.305724 -2.4883366 1 110 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 93.36 -2.1078649 6.989342 -1.2777566 1 111 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 91.8 -3.4453287 6.8489246 -0.9324831 1 112 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 91.41 -1.3226912 7.8201523 -0.49558645 1 113 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 90.23 -3.9698994 7.501832 0.1637555 1 114 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 89.84 -1.8477437 8.482972 0.6043422 1 115 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 90.23 -3.1695313 8.311783 0.9273933 1 116 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 90.23 -3.6916366 8.957553 2.025909 1 117 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 95.31 -1.5104754 3.6838393 -0.3054577 1 118 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 95.31 -2.3867133 2.7773376 0.41502315 1 119 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 94.92 -3.5887792 3.5573726 0.93278414 1 120 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 94.92 -3.43617 4.4486494 1.7656081 1 121 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 95.7 -1.637789 2.1141593 1.5762519 1 122 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 94.92 -2.6923237 1.0697781 2.5801163 1 123 +ATOM N N . THR A0 1 19 . 19 THR A0 N 95.7 -4.7796617 3.1995008 0.45040208 1 124 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 95.31 -5.985858 3.9025054 0.8637011 1 125 +ATOM C C . THR A0 1 19 . 19 THR A0 C 95.31 -6.4271927 3.5301008 2.2736025 1 126 +ATOM O O . THR A0 1 19 . 19 THR A0 O 94.53 -7.282173 4.2151513 2.842457 1 127 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 95.31 -7.147726 3.64572 -0.12087813 1 128 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 93.75 -7.501664 2.2729576 -0.10274856 1 129 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 92.97 -6.7422667 4.052704 -1.5372897 1 130 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 95.7 -5.8411884 2.4695537 2.8281894 1 131 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 95.31 -6.190854 2.0515285 4.1792445 1 132 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 95.31 -5.4121127 2.8169475 5.2514396 1 133 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 94.92 -6.004924 3.3309193 6.19826 1 134 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 95.31 -5.9644575 0.54610837 4.338789 1 135 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 94.92 -6.5498395 0.02628275 5.630251 1 136 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 92.97 -7.7415915 0.16673607 5.8728333 1 137 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 91.8 -5.701372 -0.55483246 6.459386 1 138 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 96.09 -4.0816627 2.8693526 5.1219616 1 139 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 95.31 -3.2690787 3.505062 6.154666 1 140 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 94.92 -2.5509248 4.767625 5.696164 1 141 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 94.53 -1.9311802 5.450159 6.507852 1 142 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 95.7 -2.2456474 2.5107794 6.715837 1 143 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 94.92 -0.872045 2.1114326 5.634089 1 144 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 94.92 -2.6037488 5.0876436 4.410589 1 145 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 94.53 -1.9767469 6.295171 3.9007535 1 146 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 94.53 -0.5223376 6.1611223 3.497216 1 147 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 94.53 0.08668185 7.1449766 3.079668 1 148 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 95.7 0.05126332 4.9516697 3.619071 1 149 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 95.31 1.4423847 4.7504144 3.2421398 1 150 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 94.92 1.6022426 4.963605 1.7417107 1 151 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 95.31 0.68432486 4.7506313 0.96326125 1 152 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 95.31 1.9074476 3.3531244 3.6304717 1 153 +ATOM N N . SER A0 1 24 . 24 SER A0 N 94.92 2.7982538 5.3759665 1.3193874 1 154 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 94.92 3.0515182 5.6018195 -0.097077936 1 155 +ATOM C C . SER A0 1 24 . 24 SER A0 C 94.53 4.4941487 5.367771 -0.43875244 1 156 +ATOM O O . SER A0 1 24 . 24 SER A0 O 94.14 5.3260317 5.110305 0.41821787 1 157 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 94.14 2.6454298 7.034412 -0.48718816 1 158 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 93.36 3.404915 7.980107 0.22245494 1 159 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 94.14 4.7960553 5.484369 -1.5858883 1 160 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 93.75 6.0244856 5.254898 -2.246542 1 161 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 93.75 6.713831 4.0380154 -1.7728093 1 162 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 93.36 6.3422284 2.9011412 -2.096237 1 163 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 93.36 5.6868124 4.9247656 -3.8076355 1 164 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 92.97 6.953742 6.575679 -2.2808728 1 165 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 93.36 7.825943 4.154359 -1.05205 1 166 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 93.36 8.679355 3.0460138 -0.69723237 1 167 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 93.36 7.990426 1.9552517 0.09787971 1 168 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 92.97 8.521886 0.8518295 0.1834767 1 169 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 92.58 9.922033 3.5272741 0.04837206 1 170 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 91.02 10.876896 4.298609 -0.8387644 1 171 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 89.84 10.847413 4.11415 -2.0699403 1 172 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 88.28 11.66975 5.0854244 -0.3031376 1 173 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 95.31 6.806075 2.217684 0.632481 1 174 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 95.31 6.1035104 1.2117333 1.4263263 1 175 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 94.92 5.117987 0.37647396 0.61631846 1 176 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 94.92 4.549326 -0.57646394 1.1499835 1 177 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 94.53 5.3729076 1.8902051 2.5862384 1 178 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 92.97 6.247964 2.8111773 3.436009 1 179 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 92.19 7.4500694 2.1121817 4.004553 1 180 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 90.23 7.1013103 1.0440893 4.9231405 1 181 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 89.45 7.9579506 0.21971847 5.4988303 1 182 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 87.5 9.2502775 0.35616398 5.2452145 1 183 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 87.89 7.528445 -0.71739715 6.3117194 1 184 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 94.53 4.906369 0.7145511 -0.67024875 1 185 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 94.14 3.9965057 -0.02066864 -1.5372584 1 186 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 93.36 4.8155527 -0.9123738 -2.4680336 1 187 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 92.58 5.701021 -0.4248797 -3.1641912 1 188 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 94.14 3.1186028 0.93778026 -2.36825 1 189 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 93.36 2.3661137 1.9009889 -1.4497621 1 190 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 92.58 2.1576688 0.14856887 -3.2692614 1 191 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 91.02 1.4840066 1.2691219 -0.41819382 1 192 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 92.97 4.5159082 -2.193325 -2.4842434 1 193 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 92.19 5.2986465 -3.1742134 -3.2425504 1 194 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 92.19 4.4519434 -4.013875 -4.14455 1 195 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 90.62 3.3527446 -4.332717 -3.8229005 1 196 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 91.41 6.051908 -4.104777 -2.2927525 1 197 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 89.06 7.0018544 -3.3578944 -1.3725104 1 198 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 86.33 8.091876 -2.6790547 -2.1827796 1 199 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 83.98 8.9439 -1.8269076 -1.3528519 1 200 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 82.03 9.653096 -0.8136865 -1.8240485 1 201 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 80.47 10.390018 -0.10622367 -0.99511796 1 202 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 80.47 9.615587 -0.5159949 -3.1140952 1 203 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 88.28 4.704727 -4.665698 -5.342325 1 204 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 80.86 -8.060713 -8.5865555 -0.5524411 1 205 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..c2e964301e00d516cfd763282b7175ed03e9edb8 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_sample_4_postprocessed.cif @@ -0,0 +1,320 @@ +data_5sbj-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 5sbj-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ACE 1 +1 n TYR 2 +1 n CYS 3 +1 n SER 4 +1 n ASP 5 +1 n CYS 6 +1 n GLY 7 +1 n ALA 8 +1 n ASP 9 +1 n AIB 10 +1 n SER 11 +1 n GLN 12 +1 n VAL 13 +1 n ARG 14 +1 n GLY 15 +1 n GLY 16 +1 n TYR 17 +1 n CYS 18 +1 n THR 19 +1 n ASN 20 +1 n CYS 21 +1 n GLY 22 +1 n ALA 23 +1 n SER 24 +1 n AIB 25 +1 n ASP 26 +1 n ARG 27 +1 n ILE 28 +1 n ARG 29 +1 n NH2 30 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 TYR CYS 2 3 C N . . +2 covale sing A0 A0 CYS SER 3 4 C N . . +3 covale sing A0 A0 SER ASP 4 5 C N . . +4 covale sing A0 A0 ASP CYS 5 6 C N . . +5 covale sing A0 A0 CYS GLY 6 7 C N . . +6 covale sing A0 A0 GLY ALA 7 8 C N . . +7 covale sing A0 A0 ALA ASP 8 9 C N . . +8 covale sing A0 A0 ASP AIB 9 10 C N . . +9 covale sing A0 A0 AIB SER 10 11 C N . . +10 covale sing A0 A0 SER GLN 11 12 C N . . +11 covale sing A0 A0 GLN VAL 12 13 C N . . +12 covale sing A0 A0 VAL ARG 13 14 C N . . +13 covale sing A0 A0 ARG GLY 14 15 C N . . +14 covale sing A0 A0 GLY GLY 15 16 C N . . +15 covale sing A0 A0 GLY TYR 16 17 C N . . +16 covale sing A0 A0 TYR CYS 17 18 C N . . +17 covale sing A0 A0 CYS THR 18 19 C N . . +18 covale sing A0 A0 THR ASN 19 20 C N . . +19 covale sing A0 A0 ASN CYS 20 21 C N . . +20 covale sing A0 A0 CYS GLY 21 22 C N . . +21 covale sing A0 A0 GLY ALA 22 23 C N . . +22 covale sing A0 A0 ALA SER 23 24 C N . . +23 covale sing A0 A0 SER AIB 24 25 C N . . +24 covale sing A0 A0 AIB ASP 25 26 C N . . +25 covale sing A0 A0 ASP ARG 26 27 C N . . +26 covale sing A0 A0 ARG ILE 27 28 C N . . +27 covale sing A0 A0 ILE ARG 28 29 C N . . +28 covale sing A0 A0 ACE TYR 1 2 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM C C . ACE A0 1 1 . 1 ACE A0 C 0 0.16680929 -3.9642463 -3.8575811 1 1 1 +ATOM O O . ACE A0 1 1 . 1 ACE A0 O 0 -0.96407425 -4.1697693 -3.5993938 1 2 1 +ATOM C CH3 . ACE A0 1 1 . 1 ACE A0 CH3 0 0.67481923 -3.2465835 -5.0302896 1 3 1 +ATOM N N . TYR A0 1 2 . 2 TYR A0 N 0 0.75415874 -4.1519275 -2.7273908 1 4 1 +ATOM C CA . TYR A0 1 2 . 2 TYR A0 CA 0 0.7710867 -4.5575223 -1.3990495 1 5 1 +ATOM C C . TYR A0 1 2 . 2 TYR A0 C 0 1.3540127 -3.4728456 -0.52069855 1 6 1 +ATOM O O . TYR A0 1 2 . 2 TYR A0 O 0 2.423676 -2.9529982 -0.8164916 1 7 1 +ATOM C CB . TYR A0 1 2 . 2 TYR A0 CB 0 1.5699577 -5.83895 -1.3277647 1 8 1 +ATOM C CG . TYR A0 1 2 . 2 TYR A0 CG 0 1.7406814 -6.3961973 0.044916615 1 9 1 +ATOM C CD1 . TYR A0 1 2 . 2 TYR A0 CD1 0 0.8532607 -7.3098154 0.5594113 1 10 1 +ATOM C CD2 . TYR A0 1 2 . 2 TYR A0 CD2 0 2.8343196 -6.0494227 0.8157095 1 11 1 +ATOM C CE1 . TYR A0 1 2 . 2 TYR A0 CE1 0 1.0334175 -7.8606873 1.8034041 1 12 1 +ATOM C CE2 . TYR A0 1 2 . 2 TYR A0 CE2 0 3.0117512 -6.5952115 2.0697577 1 13 1 +ATOM C CZ . TYR A0 1 2 . 2 TYR A0 CZ 0 2.1068354 -7.498598 2.547357 1 14 1 +ATOM O OH . TYR A0 1 2 . 2 TYR A0 OH 0 2.2887328 -8.035065 3.7751641 1 15 1 +ATOM N N . CYS A0 1 3 . 3 CYS A0 N 0 0.67886424 -3.1407 0.5400537 1 16 1 +ATOM C CA . CYS A0 1 3 . 3 CYS A0 CA 0 1.1965033 -2.1842022 1.5046304 1 17 1 +ATOM C C . CYS A0 1 3 . 3 CYS A0 C 0 1.9582057 -2.9248204 2.5952332 1 18 1 +ATOM O O . CYS A0 1 3 . 3 CYS A0 O 0 1.3694017 -3.6994042 3.3471723 1 19 1 +ATOM C CB . CYS A0 1 3 . 3 CYS A0 CB 0 0.06906638 -1.3609464 2.122658 1 20 1 +ATOM S SG . CYS A0 1 3 . 3 CYS A0 SG 0 0.64092386 -0.2293987 3.3855405 1 21 1 +ATOM N N . SER A0 1 4 . 4 SER A0 N 0 3.2504818 -2.698139 2.687192 1 22 1 +ATOM C CA . SER A0 1 4 . 4 SER A0 CA 0 4.060292 -3.3894656 3.6828122 1 23 1 +ATOM C C . SER A0 1 4 . 4 SER A0 C 0 3.8262863 -2.8862662 5.097968 1 24 1 +ATOM O O . SER A0 1 4 . 4 SER A0 O 0 4.2316294 -3.549586 6.056152 1 25 1 +ATOM C CB . SER A0 1 4 . 4 SER A0 CB 0 5.544907 -3.303743 3.3182144 1 26 1 +ATOM O OG . SER A0 1 4 . 4 SER A0 OG 0 5.9818506 -1.9763094 3.2110462 1 27 1 +ATOM N N . ASP A0 1 5 . 5 ASP A0 N 0 3.15538 -1.757291 5.256257 1 28 1 +ATOM C CA . ASP A0 1 5 . 5 ASP A0 CA 0 2.8657732 -1.2656485 6.6016827 1 29 1 +ATOM C C . ASP A0 1 5 . 5 ASP A0 C 0 1.6471018 -1.9392837 7.227515 1 30 1 +ATOM O O . ASP A0 1 5 . 5 ASP A0 O 0 1.6543415 -2.2445529 8.417057 1 31 1 +ATOM C CB . ASP A0 1 5 . 5 ASP A0 CB 0 2.637392 0.2513125 6.5895815 1 32 1 +ATOM C CG . ASP A0 1 5 . 5 ASP A0 CG 0 3.9231913 1.0497564 6.5278525 1 33 1 +ATOM O OD1 . ASP A0 1 5 . 5 ASP A0 OD1 0 5.0167418 0.4536396 6.5963125 1 34 1 +ATOM O OD2 . ASP A0 1 5 . 5 ASP A0 OD2 0 3.8350098 2.290454 6.4201717 1 35 1 +ATOM N N . CYS A0 1 6 . 6 CYS A0 N 0 0.58107346 -2.1661363 6.4488583 1 36 1 +ATOM C CA . CYS A0 1 6 . 6 CYS A0 CA 0 -0.6510639 -2.6942632 7.024376 1 37 1 +ATOM C C . CYS A0 1 6 . 6 CYS A0 C 0 -1.1664289 -3.9616303 6.3656807 1 38 1 +ATOM O O . CYS A0 1 6 . 6 CYS A0 O 0 -2.1626902 -4.524536 6.8252807 1 39 1 +ATOM C CB . CYS A0 1 6 . 6 CYS A0 CB 0 -1.7508054 -1.6272813 7.0062532 1 40 1 +ATOM S SG . CYS A0 1 6 . 6 CYS A0 SG 0 -2.421338 -1.2526753 5.394496 1 41 1 +ATOM N N . GLY A0 1 7 . 7 GLY A0 N 0 -0.5259334 -4.437545 5.3044086 1 42 1 +ATOM C CA . GLY A0 1 7 . 7 GLY A0 CA 0 -0.93412685 -5.6598454 4.6454716 1 43 1 +ATOM C C . GLY A0 1 7 . 7 GLY A0 C 0 -2.0551412 -5.5057516 3.6436586 1 44 1 +ATOM O O . GLY A0 1 7 . 7 GLY A0 O 0 -2.5434713 -6.5029225 3.1153505 1 45 1 +ATOM N N . ALA A0 1 8 . 8 ALA A0 N 0 -2.474594 -4.2739067 3.3476794 1 46 1 +ATOM C CA . ALA A0 1 8 . 8 ALA A0 CA 0 -3.516655 -4.0539947 2.3642695 1 47 1 +ATOM C C . ALA A0 1 8 . 8 ALA A0 C 0 -3.040163 -4.567501 1.010169 1 48 1 +ATOM O O . ALA A0 1 8 . 8 ALA A0 O 0 -1.8430121 -4.535144 0.70763636 1 49 1 +ATOM C CB . ALA A0 1 8 . 8 ALA A0 CB 0 -3.8646798 -2.5780754 2.2728624 1 50 1 +ATOM N N . ASP A0 1 9 . 9 ASP A0 N 0 -3.9713216 -5.0293183 0.16521716 1 51 1 +ATOM C CA . ASP A0 1 9 . 9 ASP A0 CA 0 -3.6196728 -5.5633154 -1.1424379 1 52 1 +ATOM C C . ASP A0 1 9 . 9 ASP A0 C 0 -4.164078 -4.6961536 -2.254109 1 53 1 +ATOM O O . ASP A0 1 9 . 9 ASP A0 O 0 -4.6496677 -3.582123 -2.023671 1 54 1 +ATOM C CB . ASP A0 1 9 . 9 ASP A0 CB 0 -4.092045 -7.015002 -1.2744066 1 55 1 +ATOM C CG . ASP A0 1 9 . 9 ASP A0 CG 0 -5.6029263 -7.1812034 -1.2076318 1 56 1 +ATOM O OD1 . ASP A0 1 9 . 9 ASP A0 OD1 0 -6.32222 -6.1655016 -1.2133312 1 57 1 +ATOM O OD2 . ASP A0 1 9 . 9 ASP A0 OD2 0 -6.055996 -8.34288 -1.173112 1 58 1 +ATOM N N . AIB A0 1 10 . 10 AIB A0 N 0 -4.076026 -5.182136 -3.47434 1 59 1 +ATOM C CA . AIB A0 1 10 . 10 AIB A0 CA 0 -4.502248 -4.4860125 -4.677999 1 60 1 +ATOM C C . AIB A0 1 10 . 10 AIB A0 C 0 -5.8218503 -3.7365222 -4.578364 1 61 1 +ATOM O O . AIB A0 1 10 . 10 AIB A0 O 0 -6.040575 -2.692895 -5.138438 1 62 1 +ATOM C CB1 . AIB A0 1 10 . 10 AIB A0 CB1 0 -3.5031137 -3.5822504 -5.414403 1 63 1 +ATOM C CB2 . AIB A0 1 10 . 10 AIB A0 CB2 0 -4.907134 -5.6785307 -5.7996936 1 64 1 +ATOM N N . SER A0 1 11 . 11 SER A0 N 0 -6.7261 -4.2570114 -3.854732 1 65 1 +ATOM C CA . SER A0 1 11 . 11 SER A0 CA 0 -8.023329 -3.63797 -3.7231426 1 66 1 +ATOM C C . SER A0 1 11 . 11 SER A0 C 0 -7.9736376 -2.373901 -2.8777034 1 67 1 +ATOM O O . SER A0 1 11 . 11 SER A0 O 0 -8.920642 -1.5796462 -2.897336 1 68 1 +ATOM C CB . SER A0 1 11 . 11 SER A0 CB 0 -9.038048 -4.629284 -3.1395602 1 69 1 +ATOM O OG . SER A0 1 11 . 11 SER A0 OG 0 -8.729886 -4.9359922 -1.8020768 1 70 1 +ATOM N N . GLN A0 1 12 . 12 GLN A0 N 0 -6.875842 -2.1408377 -2.1626706 1 71 1 +ATOM C CA . GLN A0 1 12 . 12 GLN A0 CA 0 -6.754675 -0.9969524 -1.271676 1 72 1 +ATOM C C . GLN A0 1 12 . 12 GLN A0 C 0 -5.5103974 -0.16046458 -1.5614986 1 73 1 +ATOM O O . GLN A0 1 12 . 12 GLN A0 O 0 -5.1099377 0.65032625 -0.72354543 1 74 1 +ATOM C CB . GLN A0 1 12 . 12 GLN A0 CB 0 -6.741969 -1.483771 0.17916007 1 75 1 +ATOM C CG . GLN A0 1 12 . 12 GLN A0 CG 0 -8.041527 -2.1575432 0.56410056 1 76 1 +ATOM C CD . GLN A0 1 12 . 12 GLN A0 CD 0 -7.9133596 -2.9851902 1.8171064 1 77 1 +ATOM O OE1 . GLN A0 1 12 . 12 GLN A0 OE1 0 -7.0069227 -3.8061438 1.9491658 1 78 1 +ATOM N NE2 . GLN A0 1 12 . 12 GLN A0 NE2 0 -8.812805 -2.768351 2.7424884 1 79 1 +ATOM N N . VAL A0 1 13 . 13 VAL A0 N 0 -4.9023485 -0.3535024 -2.7385876 1 80 1 +ATOM C CA . VAL A0 1 13 . 13 VAL A0 CA 0 -3.7317262 0.4076326 -3.1604316 1 81 1 +ATOM C C . VAL A0 1 13 . 13 VAL A0 C 0 -4.0526657 1.0466089 -4.5005627 1 82 1 +ATOM O O . VAL A0 1 13 . 13 VAL A0 O 0 -4.5097046 0.37785178 -5.422688 1 83 1 +ATOM C CB . VAL A0 1 13 . 13 VAL A0 CB 0 -2.4839191 -0.48715246 -3.2611837 1 84 1 +ATOM C CG1 . VAL A0 1 13 . 13 VAL A0 CG1 0 -1.3160713 0.297884 -3.851437 1 85 1 +ATOM C CG2 . VAL A0 1 13 . 13 VAL A0 CG2 0 -2.1157107 -1.0246813 -1.8864653 1 86 1 +ATOM N N . ARG A0 1 14 . 14 ARG A0 N 0 -3.8341584 2.3413675 -4.6305847 1 87 1 +ATOM C CA . ARG A0 1 14 . 14 ARG A0 CA 0 -4.2050543 3.089911 -5.827034 1 88 1 +ATOM C C . ARG A0 1 14 . 14 ARG A0 C 0 -3.1432264 4.160362 -6.0988083 1 89 1 +ATOM O O . ARG A0 1 14 . 14 ARG A0 O 0 -2.8727744 5.0020657 -5.2432194 1 90 1 +ATOM C CB . ARG A0 1 14 . 14 ARG A0 CB 0 -5.57106 3.7452135 -5.608374 1 91 1 +ATOM C CG . ARG A0 1 14 . 14 ARG A0 CG 0 -6.202466 4.35222 -6.8188205 1 92 1 +ATOM C CD . ARG A0 1 14 . 14 ARG A0 CD 0 -7.6318865 4.7652645 -6.5055146 1 93 1 +ATOM N NE . ARG A0 1 14 . 14 ARG A0 NE 0 -8.468026 3.6186137 -6.199855 1 94 1 +ATOM C CZ . ARG A0 1 14 . 14 ARG A0 CZ 0 -9.648279 3.6687317 -5.6028337 1 95 1 +ATOM N NH1 . ARG A0 1 14 . 14 ARG A0 NH1 0 -10.322794 2.5491793 -5.3649893 1 96 1 +ATOM N NH2 . ARG A0 1 14 . 14 ARG A0 NH2 0 -10.153146 4.8123317 -5.2416077 1 97 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -2.549482 4.109585 -7.289334 1 98 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -1.5679003 5.113382 -7.6536922 1 99 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -0.38023806 5.1991296 -6.7133512 1 100 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 0.12105629 6.297494 -6.4463143 1 101 1 +ATOM N N . GLY A0 1 16 . 16 GLY A0 N 0 0.066313505 4.0557957 -6.2056136 1 102 1 +ATOM C CA . GLY A0 1 16 . 16 GLY A0 CA 0 1.2088233 4.0315123 -5.3123655 1 103 1 +ATOM C C . GLY A0 1 16 . 16 GLY A0 C 0 0.91242254 4.4712925 -3.900044 1 104 1 +ATOM O O . GLY A0 1 16 . 16 GLY A0 O 0 1.8380117 4.771497 -3.1457167 1 105 1 +ATOM N N . TYR A0 1 17 . 17 TYR A0 N 0 -0.3573225 4.498439 -3.5501485 1 106 1 +ATOM C CA . TYR A0 1 17 . 17 TYR A0 CA 0 -0.80579376 4.9955006 -2.2569108 1 107 1 +ATOM C C . TYR A0 1 17 . 17 TYR A0 C 0 -1.7161806 3.9703684 -1.5959523 1 108 1 +ATOM O O . TYR A0 1 17 . 17 TYR A0 O 0 -2.6077583 3.423552 -2.2486491 1 109 1 +ATOM C CB . TYR A0 1 17 . 17 TYR A0 CB 0 -1.5541849 6.305724 -2.4883366 1 110 1 +ATOM C CG . TYR A0 1 17 . 17 TYR A0 CG 0 -2.1078649 6.989342 -1.2777566 1 111 1 +ATOM C CD1 . TYR A0 1 17 . 17 TYR A0 CD1 0 -3.4453287 6.8489246 -0.9324831 1 112 1 +ATOM C CD2 . TYR A0 1 17 . 17 TYR A0 CD2 0 -1.3226912 7.8201523 -0.49558645 1 113 1 +ATOM C CE1 . TYR A0 1 17 . 17 TYR A0 CE1 0 -3.9698994 7.501832 0.1637555 1 114 1 +ATOM C CE2 . TYR A0 1 17 . 17 TYR A0 CE2 0 -1.8477437 8.482972 0.6043422 1 115 1 +ATOM C CZ . TYR A0 1 17 . 17 TYR A0 CZ 0 -3.1695313 8.311783 0.9273933 1 116 1 +ATOM O OH . TYR A0 1 17 . 17 TYR A0 OH 0 -3.6916366 8.957553 2.025909 1 117 1 +ATOM N N . CYS A0 1 18 . 18 CYS A0 N 0 -1.5104754 3.6838393 -0.3054577 1 118 1 +ATOM C CA . CYS A0 1 18 . 18 CYS A0 CA 0 -2.3867133 2.7773376 0.41502315 1 119 1 +ATOM C C . CYS A0 1 18 . 18 CYS A0 C 0 -3.5887792 3.5573726 0.93278414 1 120 1 +ATOM O O . CYS A0 1 18 . 18 CYS A0 O 0 -3.43617 4.4486494 1.7656081 1 121 1 +ATOM C CB . CYS A0 1 18 . 18 CYS A0 CB 0 -1.637789 2.1141593 1.5762519 1 122 1 +ATOM S SG . CYS A0 1 18 . 18 CYS A0 SG 0 -2.6923237 1.0697781 2.5801163 1 123 1 +ATOM N N . THR A0 1 19 . 19 THR A0 N 0 -4.7796617 3.1995008 0.45040208 1 124 1 +ATOM C CA . THR A0 1 19 . 19 THR A0 CA 0 -5.985858 3.9025054 0.8637011 1 125 1 +ATOM C C . THR A0 1 19 . 19 THR A0 C 0 -6.4271927 3.5301008 2.2736025 1 126 1 +ATOM O O . THR A0 1 19 . 19 THR A0 O 0 -7.282173 4.2151513 2.842457 1 127 1 +ATOM C CB . THR A0 1 19 . 19 THR A0 CB 0 -7.147726 3.64572 -0.12087813 1 128 1 +ATOM O OG1 . THR A0 1 19 . 19 THR A0 OG1 0 -7.501664 2.2729576 -0.10274856 1 129 1 +ATOM C CG2 . THR A0 1 19 . 19 THR A0 CG2 0 -6.7422667 4.052704 -1.5372897 1 130 1 +ATOM N N . ASN A0 1 20 . 20 ASN A0 N 0 -5.8411884 2.4695537 2.8281894 1 131 1 +ATOM C CA . ASN A0 1 20 . 20 ASN A0 CA 0 -6.190854 2.0515285 4.1792445 1 132 1 +ATOM C C . ASN A0 1 20 . 20 ASN A0 C 0 -5.4121127 2.8169475 5.2514396 1 133 1 +ATOM O O . ASN A0 1 20 . 20 ASN A0 O 0 -6.004924 3.3309193 6.19826 1 134 1 +ATOM C CB . ASN A0 1 20 . 20 ASN A0 CB 0 -5.9644575 0.54610837 4.338789 1 135 1 +ATOM C CG . ASN A0 1 20 . 20 ASN A0 CG 0 -6.5498395 0.02628275 5.630251 1 136 1 +ATOM O OD1 . ASN A0 1 20 . 20 ASN A0 OD1 0 -7.7415915 0.16673607 5.8728333 1 137 1 +ATOM N ND2 . ASN A0 1 20 . 20 ASN A0 ND2 0 -5.701372 -0.55483246 6.459386 1 138 1 +ATOM N N . CYS A0 1 21 . 21 CYS A0 N 0 -4.0816627 2.8693526 5.1219616 1 139 1 +ATOM C CA . CYS A0 1 21 . 21 CYS A0 CA 0 -3.2690787 3.505062 6.154666 1 140 1 +ATOM C C . CYS A0 1 21 . 21 CYS A0 C 0 -2.5509248 4.767625 5.696164 1 141 1 +ATOM O O . CYS A0 1 21 . 21 CYS A0 O 0 -1.9311802 5.450159 6.507852 1 142 1 +ATOM C CB . CYS A0 1 21 . 21 CYS A0 CB 0 -2.2456474 2.5107794 6.715837 1 143 1 +ATOM S SG . CYS A0 1 21 . 21 CYS A0 SG 0 -0.872045 2.1114326 5.634089 1 144 1 +ATOM N N . GLY A0 1 22 . 22 GLY A0 N 0 -2.6037488 5.0876436 4.410589 1 145 1 +ATOM C CA . GLY A0 1 22 . 22 GLY A0 CA 0 -1.9767469 6.295171 3.9007535 1 146 1 +ATOM C C . GLY A0 1 22 . 22 GLY A0 C 0 -0.5223376 6.1611223 3.497216 1 147 1 +ATOM O O . GLY A0 1 22 . 22 GLY A0 O 0 0.08668185 7.1449766 3.079668 1 148 1 +ATOM N N . ALA A0 1 23 . 23 ALA A0 N 0 0.05126332 4.9516697 3.619071 1 149 1 +ATOM C CA . ALA A0 1 23 . 23 ALA A0 CA 0 1.4423847 4.7504144 3.2421398 1 150 1 +ATOM C C . ALA A0 1 23 . 23 ALA A0 C 0 1.6022426 4.963605 1.7417107 1 151 1 +ATOM O O . ALA A0 1 23 . 23 ALA A0 O 0 0.68432486 4.7506313 0.96326125 1 152 1 +ATOM C CB . ALA A0 1 23 . 23 ALA A0 CB 0 1.9074476 3.3531244 3.6304717 1 153 1 +ATOM N N . SER A0 1 24 . 24 SER A0 N 0 2.7982538 5.3759665 1.3193874 1 154 1 +ATOM C CA . SER A0 1 24 . 24 SER A0 CA 0 3.0515182 5.6018195 -0.097077936 1 155 1 +ATOM C C . SER A0 1 24 . 24 SER A0 C 0 4.4941487 5.367771 -0.43875244 1 156 1 +ATOM O O . SER A0 1 24 . 24 SER A0 O 0 5.3260317 5.110305 0.41821787 1 157 1 +ATOM C CB . SER A0 1 24 . 24 SER A0 CB 0 2.6454298 7.034412 -0.48718816 1 158 1 +ATOM O OG . SER A0 1 24 . 24 SER A0 OG 0 3.404915 7.980107 0.22245494 1 159 1 +ATOM N N . AIB A0 1 25 . 25 AIB A0 N 0 4.7960553 5.484369 -1.5858883 1 160 1 +ATOM C CA . AIB A0 1 25 . 25 AIB A0 CA 0 6.0244856 5.254898 -2.246542 1 161 1 +ATOM C C . AIB A0 1 25 . 25 AIB A0 C 0 6.713831 4.0380154 -1.7728093 1 162 1 +ATOM O O . AIB A0 1 25 . 25 AIB A0 O 0 6.3422284 2.9011412 -2.096237 1 163 1 +ATOM C CB1 . AIB A0 1 25 . 25 AIB A0 CB1 0 5.6868124 4.9247656 -3.8076355 1 164 1 +ATOM C CB2 . AIB A0 1 25 . 25 AIB A0 CB2 0 6.953742 6.575679 -2.2808728 1 165 1 +ATOM N N . ASP A0 1 26 . 26 ASP A0 N 0 7.825943 4.154359 -1.05205 1 166 1 +ATOM C CA . ASP A0 1 26 . 26 ASP A0 CA 0 8.679355 3.0460138 -0.69723237 1 167 1 +ATOM C C . ASP A0 1 26 . 26 ASP A0 C 0 7.990426 1.9552517 0.09787971 1 168 1 +ATOM O O . ASP A0 1 26 . 26 ASP A0 O 0 8.521886 0.8518295 0.1834767 1 169 1 +ATOM C CB . ASP A0 1 26 . 26 ASP A0 CB 0 9.922033 3.5272741 0.04837206 1 170 1 +ATOM C CG . ASP A0 1 26 . 26 ASP A0 CG 0 10.876896 4.298609 -0.8387644 1 171 1 +ATOM O OD1 . ASP A0 1 26 . 26 ASP A0 OD1 0 10.847413 4.11415 -2.0699403 1 172 1 +ATOM O OD2 . ASP A0 1 26 . 26 ASP A0 OD2 0 11.66975 5.0854244 -0.3031376 1 173 1 +ATOM N N . ARG A0 1 27 . 27 ARG A0 N 0 6.806075 2.217684 0.632481 1 174 1 +ATOM C CA . ARG A0 1 27 . 27 ARG A0 CA 0 6.1035104 1.2117333 1.4263263 1 175 1 +ATOM C C . ARG A0 1 27 . 27 ARG A0 C 0 5.117987 0.37647396 0.61631846 1 176 1 +ATOM O O . ARG A0 1 27 . 27 ARG A0 O 0 4.549326 -0.57646394 1.1499835 1 177 1 +ATOM C CB . ARG A0 1 27 . 27 ARG A0 CB 0 5.3729076 1.8902051 2.5862384 1 178 1 +ATOM C CG . ARG A0 1 27 . 27 ARG A0 CG 0 6.247964 2.8111773 3.436009 1 179 1 +ATOM C CD . ARG A0 1 27 . 27 ARG A0 CD 0 7.4500694 2.1121817 4.004553 1 180 1 +ATOM N NE . ARG A0 1 27 . 27 ARG A0 NE 0 7.1013103 1.0440893 4.9231405 1 181 1 +ATOM C CZ . ARG A0 1 27 . 27 ARG A0 CZ 0 7.9579506 0.21971847 5.4988303 1 182 1 +ATOM N NH1 . ARG A0 1 27 . 27 ARG A0 NH1 0 9.2502775 0.35616398 5.2452145 1 183 1 +ATOM N NH2 . ARG A0 1 27 . 27 ARG A0 NH2 0 7.528445 -0.71739715 6.3117194 1 184 1 +ATOM N N . ILE A0 1 28 . 28 ILE A0 N 0 4.906369 0.7145511 -0.67024875 1 185 1 +ATOM C CA . ILE A0 1 28 . 28 ILE A0 CA 0 3.9965057 -0.02066864 -1.5372584 1 186 1 +ATOM C C . ILE A0 1 28 . 28 ILE A0 C 0 4.8155527 -0.9123738 -2.4680336 1 187 1 +ATOM O O . ILE A0 1 28 . 28 ILE A0 O 0 5.701021 -0.4248797 -3.1641912 1 188 1 +ATOM C CB . ILE A0 1 28 . 28 ILE A0 CB 0 3.1186028 0.93778026 -2.36825 1 189 1 +ATOM C CG1 . ILE A0 1 28 . 28 ILE A0 CG1 0 2.3661137 1.9009889 -1.4497621 1 190 1 +ATOM C CG2 . ILE A0 1 28 . 28 ILE A0 CG2 0 2.1576688 0.14856887 -3.2692614 1 191 1 +ATOM C CD1 . ILE A0 1 28 . 28 ILE A0 CD1 0 1.4840066 1.2691219 -0.41819382 1 192 1 +ATOM N N . ARG A0 1 29 . 29 ARG A0 N 0 4.5159082 -2.193325 -2.4842434 1 193 1 +ATOM C CA . ARG A0 1 29 . 29 ARG A0 CA 0 5.2986465 -3.1742134 -3.2425504 1 194 1 +ATOM C C . ARG A0 1 29 . 29 ARG A0 C 0 4.4519434 -4.013875 -4.14455 1 195 1 +ATOM O O . ARG A0 1 29 . 29 ARG A0 O 0 3.3527446 -4.332717 -3.8229005 1 196 1 +ATOM C CB . ARG A0 1 29 . 29 ARG A0 CB 0 6.051908 -4.104777 -2.2927525 1 197 1 +ATOM C CG . ARG A0 1 29 . 29 ARG A0 CG 0 7.0018544 -3.3578944 -1.3725104 1 198 1 +ATOM C CD . ARG A0 1 29 . 29 ARG A0 CD 0 8.091876 -2.6790547 -2.1827796 1 199 1 +ATOM N NE . ARG A0 1 29 . 29 ARG A0 NE 0 8.9439 -1.8269076 -1.3528519 1 200 1 +ATOM C CZ . ARG A0 1 29 . 29 ARG A0 CZ 0 9.653096 -0.8136865 -1.8240485 1 201 1 +ATOM N NH1 . ARG A0 1 29 . 29 ARG A0 NH1 0 10.390018 -0.10622367 -0.99511796 1 202 1 +ATOM N NH2 . ARG A0 1 29 . 29 ARG A0 NH2 0 9.615587 -0.5159949 -3.1140952 1 203 1 +ATOM N N . NH2 A0 1 30 . 30 NH2 A0 N 0 4.704727 -4.665698 -5.342325 1 204 1 +HETATM CD CD . CD B0 2 1 . 1 CD B0 CD 0 -8.060713 -8.5865555 -0.5524411 1 205 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_0.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_0.json new file mode 100644 index 0000000000000000000000000000000000000000..027957158f1daf8a2ede5fe24baf6e3e2c5c0747 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_0.json @@ -0,0 +1,52 @@ +{ + "plddt": 96.0, + "gpde": 0.27568426728248596, + "ptm": 0.9501817226409912, + "iptm": 0.9123085141181946, + "chain_ptm": [ + 0.9496168494224548, + 0.0 + ], + "chain_iptm": [ + 0.9123085141181946, + 0.9123085141181946 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.9123085141181946 + ], + [ + 0.9123085141181946, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.9123085141181946 + ], + [ + 0.9123085141181946, + 0.0 + ] + ], + "chain_plddt": [ + 0.9609375, + 0.8203125 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.9609375 + ], + [ + 0.9609375, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9198831915855408, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_1.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_1.json new file mode 100644 index 0000000000000000000000000000000000000000..73b88736d0ba5b47f0b804941dd33b58cb01f8dd --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_1.json @@ -0,0 +1,52 @@ +{ + "plddt": 95.5, + "gpde": 0.2763790488243103, + "ptm": 0.951202929019928, + "iptm": 0.8984653353691101, + "chain_ptm": [ + 0.9509981274604797, + 0.0 + ], + "chain_iptm": [ + 0.8984653353691101, + 0.8984653353691101 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.8984653353691101 + ], + [ + 0.8984653353691101, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.8984653353691101 + ], + [ + 0.8984653353691101, + 0.0 + ] + ], + "chain_plddt": [ + 0.953125, + 0.82421875 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.953125 + ], + [ + 0.953125, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9090129137039185, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_2.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_2.json new file mode 100644 index 0000000000000000000000000000000000000000..6deeeeb641bdc1fcb83c158f47375c0f9d94c750 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_2.json @@ -0,0 +1,52 @@ +{ + "plddt": 93.5, + "gpde": 0.27737337350845337, + "ptm": 0.9507625699043274, + "iptm": 0.8903412222862244, + "chain_ptm": [ + 0.9512307643890381, + 0.0 + ], + "chain_iptm": [ + 0.8903412222862244, + 0.8903412222862244 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.8903412222862244 + ], + [ + 0.8903412222862244, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.8903412222862244 + ], + [ + 0.8903412222862244, + 0.0 + ] + ], + "chain_plddt": [ + 0.93359375, + 0.80859375 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.93359375 + ], + [ + 0.93359375, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9024255275726318, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_3.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_3.json new file mode 100644 index 0000000000000000000000000000000000000000..4e3064f373465e07402e489ef4bbfc5ac5ac5b8a --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_3.json @@ -0,0 +1,52 @@ +{ + "plddt": 96.5, + "gpde": 0.27781665325164795, + "ptm": 0.9511082768440247, + "iptm": 0.8865870237350464, + "chain_ptm": [ + 0.9510877132415771, + 0.0 + ], + "chain_iptm": [ + 0.8865870237350464, + 0.8865870237350464 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.8865870237350464 + ], + [ + 0.8865870237350464, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.8865870237350464 + ], + [ + 0.8865870237350464, + 0.0 + ] + ], + "chain_plddt": [ + 0.96484375, + 0.78515625 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.96484375 + ], + [ + 0.96484375, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.8994913101196289, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_4.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_4.json new file mode 100644 index 0000000000000000000000000000000000000000..ba3ceb300afc0349a3943dc3a9c96b1421390483 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/5sbj-assembly1/seed_42/predictions/5sbj-assembly1_seed_42_summary_confidence_sample_4.json @@ -0,0 +1,52 @@ +{ + "plddt": 94.5, + "gpde": 0.28063270449638367, + "ptm": 0.9490418434143066, + "iptm": 0.8074010014533997, + "chain_ptm": [ + 0.950536847114563, + 0.0 + ], + "chain_iptm": [ + 0.8074010014533997, + 0.8074010014533997 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.8074010014533997 + ], + [ + 0.8074010014533997, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.8074010014533997 + ], + [ + 0.8074010014533997, + 0.0 + ] + ], + "chain_plddt": [ + 0.9453125, + 0.80078125 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.9453125 + ], + [ + 0.9453125, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.83572918176651, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0.cif new file mode 100644 index 0000000000000000000000000000000000000000..cd69f82c4b19ebc06e4265424fdd0a6f4c7b6e97 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0.cif @@ -0,0 +1,1402 @@ +data_7fwf-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 97.27 -17.956553 14.39956 8.187052 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 97.66 -16.997038 14.7276745 9.230478 1 2 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 98.05 -15.626186 14.156258 8.940973 1 3 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 97.66 -15.457923 13.332285 8.033081 1 4 +ATOM N N . SER A0 1 2 . 2 SER A0 N 98.05 -14.643219 14.596021 9.706203 1 5 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 98.05 -13.273298 14.138758 9.539061 1 6 +ATOM C C . SER A0 1 2 . 2 SER A0 C 98.44 -13.109173 12.717714 10.069429 1 7 +ATOM O O . SER A0 1 2 . 2 SER A0 O 98.05 -13.904017 12.249889 10.900097 1 8 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 98.05 -12.308868 15.0817585 10.258247 1 9 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 97.66 -12.400461 16.400063 9.751256 1 10 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 97.66 -12.087723 12.0479355 9.585967 1 11 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 98.05 -11.753349 10.702549 10.0383415 1 12 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 98.05 -10.276961 10.654298 10.393252 1 13 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 97.66 -9.473423 11.437967 9.8773985 1 14 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 97.66 -12.056852 9.670743 8.951511 1 15 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 98.05 -13.463337 9.67616 8.465612 1 16 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 96.88 -13.928008 10.559698 7.518585 1 17 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 96.88 -14.505718 8.88946 8.793691 1 18 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 96.88 -15.201314 10.330376 7.287777 1 19 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 97.27 -15.581129 9.309845 8.050386 1 20 +ATOM N N . MET A0 1 4 . 4 MET A0 N 98.05 -9.91849 9.718187 11.2681675 1 21 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 98.44 -8.522451 9.533815 11.6350765 1 22 +ATOM C C . MET A0 1 4 . 4 MET A0 C 98.44 -7.674055 9.214373 10.39606 1 23 +ATOM O O . MET A0 1 4 . 4 MET A0 O 98.05 -6.5310717 9.665394 10.288368 1 24 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 97.66 -8.392107 8.410292 12.678238 1 25 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 96.48 -6.955448 8.189379 13.157812 1 26 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 96.09 -6.477412 9.398352 14.38981 1 27 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 93.36 -6.8918905 8.512167 15.874543 1 28 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 96.48 -8.237587 8.481324 9.4564705 1 29 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 97.66 -7.4789853 8.092934 8.273248 1 30 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 98.05 -7.328665 9.209547 7.2553253 1 31 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 97.27 -6.6811457 9.019936 6.2229996 1 32 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 96.48 -8.10376 6.8676085 7.6185126 1 33 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 95.31 -9.842955 7.080128 7.208775 1 34 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 98.05 -7.8657966 10.390287 7.5402174 1 35 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 98.44 -7.6890655 11.525811 6.642975 1 36 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 98.44 -6.211384 11.842058 6.404018 1 37 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 98.44 -5.8499637 12.337051 5.3322268 1 38 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 98.05 -8.38547 12.770756 7.200854 1 39 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 96.88 -9.891256 12.700954 7.0974617 1 40 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 95.7 -10.417322 11.738491 6.489893 1 41 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 95.31 -10.556423 13.620237 7.611551 1 42 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 98.44 -5.3480177 11.577922 7.3966007 1 43 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 98.83 -3.927004 11.878906 7.2704296 1 44 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 98.83 -3.2417722 11.025554 6.206729 1 45 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 98.44 -2.148109 11.375262 5.7535734 1 46 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 98.44 -3.224666 11.695168 8.612456 1 47 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 98.83 -3.8480222 9.910813 5.826881 1 48 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 98.83 -3.2908218 9.031958 4.8103876 1 49 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 98.83 -3.7805524 9.3776045 3.404319 1 50 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 98.83 -3.1702452 8.954856 2.4214523 1 51 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 98.83 -3.6436505 7.5735273 5.113543 1 52 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 98.83 -3.0283358 7.051384 6.3797107 1 53 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 98.83 -3.7553701 7.0197678 7.559983 1 54 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 98.83 -1.7222108 6.5994034 6.3869715 1 55 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 98.83 -3.185221 6.5422316 8.736063 1 56 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 98.83 -1.1482269 6.1227922 7.558151 1 57 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 98.83 -1.8865173 6.0919075 8.731984 1 58 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 98.83 -4.862797 10.122504 3.2938004 1 59 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 98.83 -5.5218353 10.355945 2.0147972 1 60 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 98.83 -4.6447453 11.215273 1.1116817 1 61 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 98.83 -4.1103973 12.236893 1.5469204 1 62 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 98.83 -6.9090214 11.002248 2.2226052 1 63 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 98.83 -7.50413 11.455864 0.8960911 1 64 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 98.83 -7.8375196 10.017759 2.9298174 1 65 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 98.83 -4.526222 10.809745 -0.12904981 1 66 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 98.83 -3.7839022 11.5742 -1.1152477 1 67 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 98.83 -3.06564 10.6775 -2.0978765 1 68 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 98.83 -3.298078 9.467897 -2.1546907 1 69 +ATOM N N . THR A0 1 11 . 11 THR A0 N 98.83 -2.2002418 11.279967 -2.8767118 1 70 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 98.83 -1.4037397 10.576468 -3.8737967 1 71 +ATOM C C . THR A0 1 11 . 11 THR A0 C 98.83 0.048497386 10.59877 -3.4336228 1 72 +ATOM O O . THR A0 1 11 . 11 THR A0 O 98.83 0.5874386 11.662505 -3.1037986 1 73 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 98.83 -1.5620687 11.221105 -5.2603674 1 74 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 98.44 -2.9491725 11.196428 -5.6215196 1 75 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 98.83 -0.7561749 10.457685 -6.3081646 1 76 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 98.83 0.66726977 9.441275 -3.3960547 1 77 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 98.83 1.9915755 9.253982 -2.8353028 1 78 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 98.83 2.9015565 8.583476 -3.861292 1 79 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 98.83 2.4494557 7.75592 -4.657125 1 80 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 98.83 1.9247986 8.3891735 -1.5691384 1 81 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 98.83 1.0200192 8.925576 -0.5084317 1 82 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 98.83 -0.3194248 8.669485 -0.36578956 1 83 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 98.83 1.3704616 9.797719 0.5572586 1 84 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 98.83 -0.8131401 9.322107 0.73060215 1 85 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 98.83 0.20681661 10.032636 1.3130109 1 86 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 98.83 2.5619752 10.409485 0.9490218 1 87 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 98.83 0.20535682 10.842152 2.444087 1 88 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 98.83 2.5614119 11.2126045 2.0648699 1 89 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 98.83 1.388263 11.427008 2.802281 1 90 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 98.83 4.190768 8.947433 -3.8143961 1 91 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 98.83 5.1738815 8.344234 -4.710522 1 92 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 98.83 6.310618 7.73907 -3.8951874 1 93 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 98.83 6.7825184 8.345745 -2.9319756 1 94 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 98.83 5.724636 9.374971 -5.7081456 1 95 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 98.05 6.449396 10.551737 -5.0589805 1 96 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 97.27 6.946356 11.527704 -6.124095 1 97 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 96.09 7.6063375 12.733765 -5.483587 1 98 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 93.75 8.103739 13.687479 -6.497492 1 99 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 98.83 6.742403 6.5470214 -4.292721 1 100 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 98.83 7.8428974 5.880037 -3.6002853 1 101 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 98.83 9.154455 6.6182985 -3.8468227 1 102 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 98.83 9.501289 6.908381 -4.996606 1 103 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 98.83 7.9762187 4.435233 -4.07895 1 104 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 98.83 9.037645 3.6039538 -3.3518047 1 105 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 98.83 9.399641 2.374014 -4.17385 1 106 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 98.83 8.544232 3.2107298 -1.9716456 1 107 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 98.83 9.881649 6.938307 -2.7574615 1 108 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 98.83 11.163115 7.6066175 -2.8887248 1 109 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 98.83 12.319942 6.8278036 -2.2712507 1 110 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 98.83 13.476572 7.1395216 -2.548324 1 111 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 98.83 11.131014 9.034487 -2.29431 1 112 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 98.83 10.134788 9.908148 -3.0649414 1 113 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 98.44 10.800321 9.000612 -0.81345725 1 114 +ATOM N N . SER A0 1 16 . 16 SER A0 N 98.83 12.023012 5.8292847 -1.4560285 1 115 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 98.83 13.071999 5.0612106 -0.7970319 1 116 +ATOM C C . SER A0 1 16 . 16 SER A0 C 98.83 12.57408 3.6575315 -0.48017755 1 117 +ATOM O O . SER A0 1 16 . 16 SER A0 O 98.83 11.393455 3.4768746 -0.15175056 1 118 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 98.83 13.519377 5.7677355 0.4841596 1 119 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 98.44 14.427191 4.9840918 1.227619 1 120 +ATOM N N . SER A0 1 17 . 17 SER A0 N 98.83 13.470385 2.6982152 -0.55503476 1 121 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 98.83 13.135662 1.320267 -0.24373662 1 122 +ATOM C C . SER A0 1 17 . 17 SER A0 C 98.83 14.355034 0.61488974 0.33937052 1 123 +ATOM O O . SER A0 1 17 . 17 SER A0 O 98.83 15.443879 0.69322276 -0.22929005 1 124 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 98.83 12.650843 0.59895283 -1.4949436 1 125 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 98.83 12.221249 -0.71776426 -1.1953363 1 126 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 98.83 14.188601 -0.02940492 1.4901285 1 127 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 98.83 15.261143 -0.7684879 2.133111 1 128 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 98.83 14.804964 -2.1940365 2.420198 1 129 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 98.83 13.729883 -2.3953018 3.003325 1 130 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 98.83 15.682549 -0.09411113 3.44411 1 131 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 96.09 16.491215 1.1844977 3.2730956 1 132 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 94.14 17.916492 0.9385269 2.8388927 1 133 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 91.8 18.519499 1.8493296 2.2434888 1 134 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 92.19 18.44004 -0.17643338 3.0994031 1 135 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 98.83 15.60511 -3.1751125 2.014184 1 136 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 98.83 15.406952 -4.5934277 2.2871926 1 137 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 98.83 14.189802 -5.1992865 1.589472 1 138 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 98.83 13.711181 -6.2594824 1.9880769 1 139 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 98.83 15.316002 -4.852386 3.7939358 1 140 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 98.83 16.62326 -4.626403 4.502417 1 141 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 98.83 17.685535 -4.783496 3.9111373 1 142 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 98.44 16.543154 -4.2720237 5.781489 1 143 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 98.83 13.663711 -4.5624003 0.537693 1 144 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 98.83 12.477338 -5.0888767 -0.13576284 1 145 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 98.83 12.768115 -6.439553 -0.79838157 1 146 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 98.83 11.914376 -7.3302994 -0.77901006 1 147 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 98.83 11.952507 -4.0716295 -1.1504133 1 148 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 98.83 10.602026 -4.417713 -1.7245867 1 149 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 98.83 10.410512 -4.443637 -3.0971224 1 150 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 98.83 9.528321 -4.6838303 -0.89401543 1 151 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 98.83 9.163794 -4.7321734 -3.6378086 1 152 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 98.83 8.278344 -4.9740853 -1.4210954 1 153 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 98.83 8.097103 -5.000883 -2.7991564 1 154 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 98.83 13.973337 -6.5963106 -1.3622489 1 155 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 98.83 14.325202 -7.872949 -1.9704578 1 156 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 98.83 14.351408 -8.990868 -0.93132234 1 157 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 98.83 13.83955 -10.085382 -1.176537 1 158 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 98.83 15.675804 -7.7787776 -2.6840825 1 159 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 98.83 16.002934 -9.043986 -3.4563897 1 160 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 98.83 15.342462 -9.287117 -4.4900765 1 161 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 98.83 16.900368 -9.807096 -3.0381246 1 162 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 98.83 14.934782 -8.725361 0.24062955 1 163 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 98.83 14.964178 -9.717617 1.3115327 1 164 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 98.83 13.550579 -10.050022 1.7908208 1 165 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 98.83 13.234243 -11.211621 2.0665226 1 166 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 98.83 15.809034 -9.210171 2.4830234 1 167 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 98.83 17.284899 -9.108101 2.1555653 1 168 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 98.44 17.759384 -9.853666 1.2723435 1 169 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 98.83 17.9666 -8.282389 2.7914393 1 170 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 98.83 12.711131 -9.038095 1.9067688 1 171 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 98.83 11.317703 -9.253544 2.295652 1 172 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 98.83 10.600435 -10.142899 1.2760892 1 173 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 98.83 9.915319 -11.104859 1.6519454 1 174 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 98.83 10.604951 -7.899023 2.4456959 1 175 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 98.83 9.114735 -8.013138 2.7165723 1 176 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 98.83 8.189192 -7.690571 1.7255911 1 177 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 98.83 8.6415615 -8.422864 3.9546316 1 178 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 98.83 6.828562 -7.7803507 1.9685013 1 179 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 98.83 7.2797737 -8.5128975 4.2082005 1 180 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 98.83 6.3827324 -8.192753 3.2068405 1 181 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 98.83 5.0371847 -8.276316 3.4504123 1 182 +ATOM N N . MET A0 1 24 . 24 MET A0 N 98.83 10.773482 -9.8315735 -0.0131580345 1 183 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 98.83 10.152929 -10.64398 -1.0492908 1 184 +ATOM C C . MET A0 1 24 . 24 MET A0 C 98.83 10.665997 -12.084813 -1.013951 1 185 +ATOM O O . MET A0 1 24 . 24 MET A0 O 98.83 9.889138 -13.02417 -1.1965733 1 186 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 98.83 10.390171 -10.0246725 -2.427473 1 187 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 98.83 9.5926 -8.749963 -2.6703053 1 188 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 98.83 9.703653 -8.193468 -4.4003263 1 189 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 98.44 11.420385 -7.669162 -4.4670115 1 190 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 98.83 11.977972 -12.26545 -0.7871889 1 191 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 98.83 12.526865 -13.618462 -0.66263294 1 192 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 98.83 11.825901 -14.377495 0.45203203 1 193 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 98.83 11.471884 -15.544287 0.2937806 1 194 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 98.83 14.030402 -13.567657 -0.36895114 1 195 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 98.83 14.91638 -13.252752 -1.5478333 1 196 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 98.44 16.38925 -13.347815 -1.1420065 1 197 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 98.05 17.326736 -12.872623 -2.2439587 1 198 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 98.05 18.74629 -12.931145 -1.8228399 1 199 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 98.83 11.641492 -13.716767 1.5941207 1 200 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 98.83 11.02899 -14.375541 2.7351024 1 201 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 98.83 9.571543 -14.733515 2.4500723 1 202 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 98.83 9.056631 -15.719719 2.990708 1 203 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 98.83 11.140493 -13.484324 3.975782 1 204 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 98.83 11.093582 -14.248163 5.287735 1 205 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 98.83 12.294287 -15.153721 5.504647 1 206 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 98.44 13.32978 -14.9765 4.821701 1 207 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 98.44 12.190907 -16.041115 6.361506 1 208 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 98.83 8.907776 -13.937524 1.612498 1 209 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 98.83 7.5423293 -14.250863 1.1903479 1 210 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 98.83 7.477313 -15.440157 0.23027381 1 211 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 98.83 6.39275 -15.983681 -0.007382216 1 212 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 98.83 6.9005504 -13.039617 0.5003177 1 213 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 98.83 6.4996243 -11.839504 1.3635131 1 214 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 98.83 5.990063 -10.715353 0.4563412 1 215 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 98.83 5.4404445 -12.223277 2.38114 1 216 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 98.83 8.633518 -15.837262 -0.3331145 1 217 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 98.83 8.681875 -16.90334 -1.324909 1 218 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 98.83 8.594427 -16.419403 -2.7624803 1 219 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 98.83 8.333964 -17.218712 -3.6644862 1 220 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 98.83 8.829218 -15.131264 -2.9829373 1 221 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 98.83 8.73164 -14.5592 -4.3238606 1 222 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 98.83 9.9190445 -15.021797 -5.1689854 1 223 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 98.83 11.068699 -14.97621 -4.724988 1 224 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 98.83 8.678139 -13.016799 -4.257409 1 225 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 98.83 8.611008 -12.4228735 -5.6605916 1 226 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 98.83 7.478484 -12.558203 -3.422286 1 227 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 98.83 9.641277 -15.468293 -6.396517 1 228 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 98.83 10.680649 -15.9504175 -7.2840967 1 229 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 98.83 11.558168 -14.84124 -7.843752 1 230 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 98.83 11.243053 -13.651569 -7.733382 1 231 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 98.83 12.669298 -15.233185 -8.448381 1 232 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 98.83 13.68898 -14.292452 -8.912331 1 233 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 98.83 13.123012 -13.226045 -9.8595915 1 234 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 98.83 13.3270855 -12.024049 -9.650532 1 235 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 98.83 14.819254 -15.051239 -9.600325 1 236 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 98.83 15.861776 -14.163675 -10.220478 1 237 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 98.83 15.773026 -13.794952 -11.553948 1 238 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 98.83 16.922318 -13.700663 -9.467636 1 239 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 98.83 16.735651 -12.976116 -12.121555 1 240 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 98.83 17.888557 -12.883488 -10.029791 1 241 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 98.83 17.794014 -12.51847 -11.35788 1 242 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 98.83 12.420539 -13.6544075 -10.913578 1 243 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 98.83 11.952388 -12.705872 -11.917127 1 244 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 98.83 10.985165 -11.68477 -11.318228 1 245 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 98.83 11.069567 -10.488609 -11.618124 1 246 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 98.83 11.290191 -13.447571 -13.07653 1 247 +ATOM N N . THR A0 1 33 . 33 THR A0 N 98.83 10.091028 -12.162622 -10.463677 1 248 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 98.83 9.133961 -11.249039 -9.840817 1 249 +ATOM C C . THR A0 1 33 . 33 THR A0 C 98.83 9.827929 -10.306362 -8.863888 1 250 +ATOM O O . THR A0 1 33 . 33 THR A0 O 98.83 9.46914 -9.126276 -8.770288 1 251 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 98.83 8.008995 -12.036125 -9.151295 1 252 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 98.44 7.3370457 -12.836168 -10.120777 1 253 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 98.83 7.0005627 -11.082758 -8.491197 1 254 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 98.83 10.837391 -10.801478 -8.114026 1 255 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 98.83 11.587208 -9.9057665 -7.229303 1 256 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 98.83 12.271866 -8.797007 -8.017687 1 257 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 98.83 12.26265 -7.6366906 -7.5897713 1 258 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 98.83 12.638906 -10.681738 -6.430915 1 259 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 98.83 12.082735 -11.583411 -5.3609295 1 260 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 98.83 13.12881 -11.919962 -4.3041573 1 261 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 98.83 14.415491 -12.358454 -4.8313084 1 262 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 98.83 14.688192 -13.607145 -5.224618 1 263 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 98.83 13.752085 -14.547304 -5.1736965 1 264 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 98.44 15.907862 -13.897842 -5.665474 1 265 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 98.83 12.903727 -9.157094 -9.149107 1 266 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 98.83 13.582824 -8.140009 -9.952095 1 267 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 98.83 12.587992 -7.1123514 -10.492355 1 268 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 98.83 12.834665 -5.9025927 -10.4269085 1 269 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 98.83 14.357105 -8.785183 -11.09681 1 270 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 98.83 15.500212 -9.678399 -10.639919 1 271 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 98.44 16.494375 -8.908339 -9.751219 1 272 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 98.44 17.586376 -9.828078 -9.268831 1 273 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 98.05 18.493465 -9.137887 -8.339798 1 274 +ATOM N N . MET A0 1 36 . 36 MET A0 N 98.83 11.449381 -7.5866647 -11.010242 1 275 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 98.83 10.430341 -6.682235 -11.52942 1 276 +ATOM C C . MET A0 1 36 . 36 MET A0 C 98.83 9.849294 -5.80241 -10.416529 1 277 +ATOM O O . MET A0 1 36 . 36 MET A0 O 98.83 9.688374 -4.586973 -10.594003 1 278 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 98.83 9.317476 -7.497611 -12.207324 1 279 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 98.44 8.180662 -6.6502895 -12.789418 1 280 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 98.44 7.0710135 -7.6230373 -13.81345 1 281 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 97.27 6.190583 -8.507378 -12.565052 1 282 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 98.83 9.546751 -6.4233103 -9.265489 1 283 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 98.83 8.998537 -5.6688294 -8.154291 1 284 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 98.83 9.987527 -4.682208 -7.5691314 1 285 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 98.83 9.619395 -3.569562 -7.186812 1 286 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 98.83 11.261333 -5.066986 -7.4991007 1 287 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 98.83 12.273783 -4.1969194 -6.9266233 1 288 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 98.83 12.546213 -2.952498 -7.7513056 1 289 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 98.83 12.901373 -1.9036269 -7.2027607 1 290 +ATOM N N . MET A0 1 39 . 39 MET A0 N 98.83 12.402539 -3.0666964 -9.060383 1 291 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 98.83 12.650574 -1.9231699 -9.9454 1 292 +ATOM C C . MET A0 1 39 . 39 MET A0 C 98.83 11.524402 -0.9003006 -9.910377 1 293 +ATOM O O . MET A0 1 39 . 39 MET A0 O 98.83 11.753109 0.27465093 -10.223816 1 294 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 98.44 12.82712 -2.3954582 -11.39091 1 295 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 98.83 14.089228 -3.1692498 -11.661057 1 296 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 98.83 14.156538 -3.7284756 -13.367481 1 297 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 98.44 14.231887 -2.154018 -14.227901 1 298 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 98.83 10.334395 -1.3360463 -9.564625 1 299 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 98.83 9.173068 -0.46185037 -9.661451 1 300 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 98.83 9.236204 0.6811404 -8.646502 1 301 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 98.83 9.703869 0.516449 -7.517343 1 302 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 98.83 7.8903008 -1.2634099 -9.466999 1 303 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 98.83 8.769115 1.8368104 -9.06225 1 304 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 98.83 8.588175 3.0006537 -8.185362 1 305 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 98.83 7.096036 3.3320947 -8.198966 1 306 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 98.83 6.64505 4.2032237 -8.930372 1 307 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 98.83 9.421902 4.1801195 -8.684471 1 308 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 98.44 10.91414 3.9733472 -8.563721 1 309 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 98.44 11.355805 4.0061865 -7.1174107 1 310 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 98.44 12.865865 3.866811 -6.9780335 1 311 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 98.05 13.57968 5.0557747 -7.5194564 1 312 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 98.83 6.3202877 2.6071696 -7.3782167 1 313 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 98.83 4.866149 2.7301383 -7.4987736 1 314 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 98.83 4.328165 4.0849476 -7.068329 1 315 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 98.83 4.9237804 4.7816114 -6.243888 1 316 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 98.83 4.331261 1.6285944 -6.5638695 1 317 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 98.83 5.4782887 0.7040365 -6.32704 1 318 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 98.83 6.7062445 1.5638459 -6.4096675 1 319 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 98.83 3.1878328 4.4234443 -7.620579 1 320 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 98.83 2.343958 5.5088167 -7.1512375 1 321 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 98.83 1.2413757 4.8921933 -6.3040423 1 322 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 98.83 0.64013934 3.8904161 -6.698411 1 323 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 98.83 1.7533429 6.2600226 -8.334577 1 324 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 98.83 0.80236256 7.362891 -7.92762 1 325 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 98.44 -0.4116889 7.2042274 -7.9928246 1 326 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 98.44 1.3774512 8.486065 -7.538184 1 327 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 98.83 0.99796534 5.472599 -5.119437 1 328 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 98.83 -0.015138754 4.9493027 -4.2109237 1 329 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 98.83 -1.0764437 6.015465 -3.9819033 1 330 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 98.83 -0.75561893 7.1271486 -3.5526524 1 331 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 98.83 0.6411967 4.549238 -2.8868616 1 332 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 98.44 -0.5107362 3.9604514 -1.6505206 1 333 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 98.83 -2.3266234 5.6740727 -4.261975 1 334 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 98.83 -3.4455464 6.591289 -4.0546827 1 335 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 98.83 -4.3273983 6.0304456 -2.9516764 1 336 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 98.83 -4.790788 4.8897047 -3.0435097 1 337 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 98.83 -4.274212 6.777644 -5.3374557 1 338 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 98.05 -3.3775067 7.253193 -6.490012 1 339 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 97.66 -5.4007025 7.7785606 -5.1043005 1 340 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 94.14 -3.0813031 6.1569905 -7.4882784 1 341 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 98.83 -4.5536304 6.8435307 -1.9024773 1 342 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 98.83 -5.391907 6.4226046 -0.78766286 1 343 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 98.83 -6.5913453 7.3572865 -0.7041098 1 344 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 98.83 -6.4227295 8.585659 -0.71104693 1 345 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 98.83 -4.608998 6.4230165 0.5415275 1 346 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 98.83 -3.4221158 5.460205 0.449741 1 347 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 98.83 -5.5271816 6.0465617 1.703891 1 348 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 98.83 -2.543375 5.4268565 1.689811 1 349 +ATOM N N . SER A0 1 47 . 47 SER A0 N 98.83 -7.7758975 6.7848177 -0.61825025 1 350 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 98.83 -8.999615 7.573913 -0.53279966 1 351 +ATOM C C . SER A0 1 47 . 47 SER A0 C 98.83 -9.971999 6.9253035 0.4367642 1 352 +ATOM O O . SER A0 1 47 . 47 SER A0 O 98.83 -9.841398 5.750198 0.7851851 1 353 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 98.83 -9.642539 7.744136 -1.9188992 1 354 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 98.44 -9.941628 6.488119 -2.4988227 1 355 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 98.83 -10.941332 7.7031302 0.8824258 1 356 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 98.83 -11.964567 7.230503 1.8081672 1 357 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 98.83 -13.333727 7.6828284 1.3190675 1 358 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 98.83 -13.498432 8.835161 0.8966697 1 359 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 98.83 -11.720729 7.755377 3.2401733 1 360 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 98.83 -12.82369 7.2842712 4.176745 1 361 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 98.83 -10.364151 7.3179984 3.748033 1 362 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 98.83 -14.294347 6.7893662 1.377497 1 363 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 98.83 -15.688929 7.0956163 1.0817126 1 364 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 98.83 -16.522709 6.412572 2.1530352 1 365 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 98.83 -16.668852 5.194125 2.139966 1 366 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 98.83 -16.058825 6.596649 -0.31328025 1 367 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 98.44 -17.405714 7.0891275 -0.780612 1 368 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 97.66 -18.419552 6.829213 -0.14665535 1 369 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 97.27 -17.403835 7.7839212 -1.9235331 1 370 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 98.83 -17.054428 7.2050138 3.0982146 1 371 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 98.83 -17.762135 6.6142416 4.220181 1 372 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 98.44 -16.83693 5.7424154 5.0410376 1 373 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 98.83 -15.776175 6.1968923 5.4780216 1 374 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 98.83 -17.21162 4.4886317 5.2184954 1 375 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 98.83 -16.408165 3.533743 5.974675 1 376 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 98.83 -15.370413 2.8203492 5.1152954 1 377 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 98.83 -14.538027 2.0885415 5.646947 1 378 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 98.83 -17.303963 2.476112 6.618968 1 379 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 98.44 -18.236343 3.0386176 7.6643114 1 380 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 98.05 -17.801538 3.913663 8.437462 1 381 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 98.05 -19.399664 2.5929618 7.719165 1 382 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 98.83 -15.405291 3.0216107 3.7900643 1 383 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 98.83 -14.577993 2.2493033 2.87324 1 384 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 98.83 -13.30366 3.010122 2.538066 1 385 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 98.83 -13.352199 4.117473 1.992485 1 386 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 98.83 -15.339939 1.9080639 1.5790598 1 387 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 98.83 -14.453418 1.1254251 0.6285028 1 388 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 98.83 -16.603127 1.1249303 1.9053539 1 389 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 98.83 -12.17718 2.3981082 2.879259 1 390 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 98.83 -10.864449 2.92699 2.5307798 1 391 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 98.83 -10.377259 2.1834903 1.2928408 1 392 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 98.83 -10.4863205 0.95711267 1.2181754 1 393 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 98.83 -9.867737 2.7414656 3.6897464 1 394 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 98.83 -10.395468 3.402709 4.9598923 1 395 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 98.83 -8.497389 3.2995608 3.3099036 1 396 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 98.83 -9.630211 3.0089505 6.2222633 1 397 +ATOM N N . THR A0 1 54 . 54 THR A0 N 98.83 -9.830157 2.9219556 0.32688606 1 398 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 98.83 -9.274061 2.3158894 -0.8767191 1 399 +ATOM C C . THR A0 1 54 . 54 THR A0 C 98.83 -7.7996283 2.6784377 -0.99128306 1 400 +ATOM O O . THR A0 1 54 . 54 THR A0 O 98.83 -7.424837 3.8440926 -0.82025295 1 401 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 98.83 -10.027075 2.7820234 -2.1364555 1 402 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 98.83 -11.395689 2.375333 -2.0439124 1 403 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 98.83 -9.411718 2.1747732 -3.3963976 1 404 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 98.83 -6.965649 1.6662408 -1.246977 1 405 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 98.83 -5.5556474 1.8883591 -1.5340036 1 406 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 98.83 -5.2725916 1.3044097 -2.9089532 1 407 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 98.83 -5.4456487 0.10058403 -3.1285248 1 408 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 98.83 -4.629347 1.2391453 -0.4873187 1 409 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 98.83 -4.9708385 1.7311177 0.9237277 1 410 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 98.83 -3.1620336 1.5510619 -0.8138977 1 411 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 98.83 -4.1428547 1.0919554 2.029411 1 412 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 98.83 -4.879087 2.1725783 -3.8266666 1 413 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 98.83 -4.557622 1.7644413 -5.1892705 1 414 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 98.83 -3.074434 1.983815 -5.430772 1 415 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 98.83 -2.5431886 3.0542583 -5.099085 1 416 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 98.83 -5.3817625 2.5597594 -6.205167 1 417 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 98.83 -5.1044283 2.183672 -7.6543694 1 418 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 98.44 -6.1413937 2.7665462 -8.603194 1 419 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 98.05 -5.9802594 4.2650146 -8.783569 1 420 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 96.88 -6.917472 4.7849865 -9.823248 1 421 +ATOM N N . THR A0 1 57 . 57 THR A0 N 98.83 -2.4127836 0.9904877 -5.9620695 1 422 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 98.83 -1.002558 1.0964229 -6.29852 1 423 +ATOM C C . THR A0 1 57 . 57 THR A0 C 98.83 -0.82778573 0.91162896 -7.798728 1 424 +ATOM O O . THR A0 1 57 . 57 THR A0 O 98.83 -1.3446989 -0.050300762 -8.375601 1 425 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 98.83 -0.16055016 0.060308117 -5.5365105 1 426 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 98.83 -0.29581547 0.27263528 -4.1365023 1 427 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 98.83 1.3105519 0.17398494 -5.9250145 1 428 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 98.83 -0.13950327 1.8412074 -8.420184 1 429 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 98.83 0.10788838 1.7919147 -9.852678 1 430 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 98.83 1.6043237 1.8383636 -10.126727 1 431 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 98.83 2.3229856 2.6432428 -9.529274 1 432 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 98.83 -0.58594143 2.951343 -10.564704 1 433 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 98.44 -2.0989132 2.8928704 -10.455168 1 434 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 98.44 -2.786963 4.007242 -11.222488 1 435 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 97.27 -3.9984505 3.8737674 -11.504025 1 436 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 97.66 -2.1202807 5.018628 -11.538954 1 437 +ATOM N N . SER A0 1 59 . 59 SER A0 N 98.83 2.0704525 0.98933685 -10.98914 1 438 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 98.83 3.4589233 0.9918515 -11.4269 1 439 +ATOM C C . SER A0 1 59 . 59 SER A0 C 98.83 3.5065422 0.6034014 -12.895872 1 440 +ATOM O O . SER A0 1 59 . 59 SER A0 O 98.83 2.500866 0.18100092 -13.472113 1 441 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 98.44 4.308093 0.03412526 -10.592199 1 442 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 97.27 4.1155157 -1.3132467 -10.997221 1 443 +ATOM N N . THR A0 1 60 . 60 THR A0 N 98.83 4.6636105 0.72743815 -13.475732 1 444 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 98.83 4.8170214 0.37300748 -14.879883 1 445 +ATOM C C . THR A0 1 60 . 60 THR A0 C 98.83 4.5576916 -1.1084609 -15.125536 1 446 +ATOM O O . THR A0 1 60 . 60 THR A0 O 98.44 4.1341543 -1.4947863 -16.220581 1 447 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 98.83 6.2239614 0.7431744 -15.379549 1 448 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 98.05 7.2033634 0.16609523 -14.511725 1 449 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 98.05 6.4118557 2.2525668 -15.39896 1 450 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 98.44 4.7882905 -1.9296663 -14.105215 1 451 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 98.44 4.7149944 -3.3762372 -14.312092 1 452 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 98.83 3.4970715 -4.048223 -13.679113 1 453 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 98.44 3.1116023 -5.134263 -14.127821 1 454 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 98.44 5.998197 -4.0331826 -13.793703 1 455 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 98.05 7.29083 -3.5273466 -14.466033 1 456 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 97.66 8.513119 -4.1982775 -13.8601675 1 457 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 97.66 7.2498302 -3.7703505 -15.975664 1 458 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 98.44 2.8931344 -3.4216678 -12.652355 1 459 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 98.83 1.7726517 -4.0669417 -11.978182 1 460 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 98.83 0.8979567 -3.053715 -11.272789 1 461 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 98.83 1.4061681 -2.1333613 -10.614477 1 462 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 98.83 2.2811732 -5.1004 -10.971824 1 463 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 97.66 1.2256615 -6.058445 -10.453734 1 464 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 96.88 0.8210521 -7.068774 -11.507029 1 465 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 95.7 -0.009427423 -8.187082 -10.902075 1 466 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 94.14 -0.41774574 -9.157246 -11.942356 1 467 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 98.83 -0.41311565 -3.220183 -11.38745 1 468 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 98.83 -1.38501 -2.403627 -10.66666 1 469 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 98.83 -2.169376 -3.2887282 -9.711614 1 470 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 98.83 -2.5531542 -4.40483 -10.069746 1 471 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 98.83 -2.360165 -1.7217917 -11.620996 1 472 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 98.83 -1.6703796 -0.80073303 -12.599321 1 473 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 98.44 -0.6519472 -0.19532144 -12.288824 1 474 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 98.44 -2.2416768 -0.6790078 -13.784464 1 475 +ATOM N N . THR A0 1 64 . 64 THR A0 N 98.83 -2.4034731 -2.7956624 -8.500776 1 476 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 98.83 -3.259642 -3.47924 -7.538966 1 477 +ATOM C C . THR A0 1 64 . 64 THR A0 C 98.83 -4.1881976 -2.471332 -6.886942 1 478 +ATOM O O . THR A0 1 64 . 64 THR A0 O 98.83 -3.9177313 -1.2688513 -6.8745527 1 479 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 98.83 -2.455178 -4.2137194 -6.4422064 1 480 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 98.44 -1.64397 -3.2807395 -5.744855 1 481 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 98.44 -1.5863231 -5.3017807 -7.052458 1 482 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 98.83 -5.295742 -2.978431 -6.3423004 1 483 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 98.83 -6.2298884 -2.1215093 -5.62786 1 484 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 98.83 -6.958484 -2.9379244 -4.578965 1 485 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 98.83 -7.397258 -4.06041 -4.856661 1 486 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 98.83 -7.2431307 -1.4968956 -6.588335 1 487 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 98.83 -8.252428 -0.5893153 -5.8967276 1 488 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 98.83 -9.197407 0.07790212 -6.882352 1 489 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 98.83 -8.86154 0.17898002 -8.079386 1 490 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 98.44 -10.297209 0.5070235 -6.446155 1 491 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 98.83 -7.0790915 -2.3720303 -3.372582 1 492 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 98.83 -7.907984 -2.9719138 -2.3402872 1 493 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 98.83 -8.857723 -1.9264736 -1.7860107 1 494 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 98.83 -8.5168915 -0.747598 -1.6789722 1 495 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 98.83 -7.0864744 -3.6028063 -1.1884174 1 496 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 98.83 -6.1697865 -2.5679207 -0.53059316 1 497 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 98.83 -6.3275423 -4.8203974 -1.6828511 1 498 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 98.83 -5.482456 -3.0672867 0.7507056 1 499 +ATOM N N . SER A0 1 67 . 67 SER A0 N 98.83 -10.073084 -2.353301 -1.4631181 1 500 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 98.83 -11.035715 -1.5352349 -0.73686385 1 501 +ATOM C C . SER A0 1 67 . 67 SER A0 C 98.83 -11.506187 -2.3451672 0.45602638 1 502 +ATOM O O . SER A0 1 67 . 67 SER A0 O 98.83 -11.77651 -3.545282 0.33471185 1 503 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 98.83 -12.226003 -1.1501726 -1.6184108 1 504 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 98.83 -11.847714 -0.21098694 -2.6053395 1 505 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 98.83 -11.625455 -1.7031685 1.603117 1 506 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 98.83 -11.894385 -2.4470568 2.82557 1 507 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 98.83 -12.510231 -1.5478246 3.8860354 1 508 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 98.83 -12.475569 -0.3155515 3.7864394 1 509 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 98.83 -10.592667 -3.0674675 3.3644319 1 510 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 98.83 -9.513462 -2.0518064 3.6085725 1 511 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 98.83 -8.647535 -1.6895139 2.5807505 1 512 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 98.83 -9.366217 -1.4438832 4.8376365 1 513 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 98.83 -7.661942 -0.7307043 2.792698 1 514 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 98.83 -8.38534 -0.49211907 5.052559 1 515 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 98.83 -7.533123 -0.13988973 4.024583 1 516 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 98.83 -13.062994 -2.1850064 4.882218 1 517 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 98.83 -13.562582 -1.5355742 6.0868816 1 518 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 98.83 -12.68184 -1.9942629 7.2429237 1 519 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 98.83 -12.336063 -3.170206 7.3361664 1 520 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 98.83 -15.041264 -1.896458 6.3388443 1 521 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 98.83 -15.919405 -1.3425325 5.211382 1 522 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 98.83 -15.514822 -1.3786986 7.6964827 1 523 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 98.44 -17.343628 -1.8705451 5.221572 1 524 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 98.83 -12.296612 -1.0661067 8.108995 1 525 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 98.83 -11.413453 -1.4092844 9.2175865 1 526 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 98.83 -11.982822 -2.5660114 10.038637 1 527 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 98.83 -13.1603775 -2.5671742 10.396666 1 528 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 98.83 -11.185883 -0.19270515 10.122381 1 529 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 98.83 -10.405802 0.96241087 9.507853 1 530 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 98.83 -10.410786 2.152941 10.457427 1 531 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 98.83 -8.978227 0.5448434 9.172939 1 532 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 98.83 -11.123688 -3.5366845 10.311159 1 533 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 98.83 -11.482276 -4.683116 11.128931 1 534 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 98.83 -12.22471 -5.7858853 10.407284 1 535 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 98.83 -12.491374 -6.828485 11.013978 1 536 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 98.83 -12.542671 -5.5869503 9.115659 1 537 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 98.83 -13.329126 -6.5559855 8.365971 1 538 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 98.83 -12.431387 -7.2905293 7.3713512 1 539 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 98.83 -11.84734 -6.677215 6.4760456 1 540 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 98.83 -14.476551 -5.857845 7.636469 1 541 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 98.83 -15.329098 -4.9722624 8.543311 1 542 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 98.83 -16.065125 -5.7594595 9.611719 1 543 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 98.83 -16.629116 -6.815984 9.335604 1 544 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 98.44 -16.052883 -5.2577214 10.835924 1 545 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 98.83 -12.331869 -8.611797 7.5215483 1 546 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 98.83 -11.455122 -9.417028 6.6766343 1 547 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 98.83 -11.933184 -9.411871 5.2297115 1 548 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 98.83 -13.135949 -9.458884 4.9589434 1 549 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 98.83 -11.3896475 -10.847162 7.2079134 1 550 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 98.44 -10.369774 -11.728941 6.517543 1 551 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 98.83 -10.250126 -13.089039 7.173778 1 552 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 98.44 -9.174784 -13.400101 7.728915 1 553 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 98.44 -11.252683 -13.837519 7.142644 1 554 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 98.83 -10.971638 -9.368938 4.2780533 1 555 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 98.83 -11.304167 -9.381055 2.857732 1 556 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 98.83 -10.294025 -10.214639 2.0822544 1 557 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 98.83 -9.198191 -10.487849 2.568827 1 558 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 98.83 -11.381227 -7.952241 2.2904937 1 559 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 98.83 -10.092613 -7.17313 2.4092689 1 560 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 98.83 -9.784503 -6.5025992 3.5872095 1 561 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 98.83 -9.204113 -7.0963984 1.3474429 1 562 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 98.83 -8.602339 -5.772844 3.7009993 1 563 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 98.83 -8.031218 -6.369527 1.4598904 1 564 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 98.83 -7.7310324 -5.70829 2.6375656 1 565 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 98.83 -10.687316 -10.605153 0.87401664 1 566 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 98.83 -9.805962 -11.358986 -0.0113370605 1 567 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 98.83 -8.9245205 -10.4002075 -0.796474 1 568 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 98.83 -9.397261 -9.386845 -1.322433 1 569 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 98.83 -10.616156 -12.205475 -0.9949912 1 570 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 98.83 -11.45587 -13.263088 -0.3089976 1 571 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 98.83 -10.906219 -14.018882 0.51826954 1 572 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 98.83 -12.664032 -13.340649 -0.6166886 1 573 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 98.83 -7.633913 -10.738506 -0.8870183 1 574 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 98.83 -6.6881943 -9.918788 -1.6283627 1 575 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 98.83 -5.8347435 -10.8109665 -2.5075552 1 576 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 98.83 -5.3487253 -11.843576 -2.0504975 1 577 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 98.83 -5.796933 -9.1302 -0.6589871 1 578 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 98.83 -4.723132 -8.28619 -1.3442988 1 579 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 98.83 -3.8151467 -7.563036 -0.37375873 1 580 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 98.83 -3.9456432 -7.783885 0.85903615 1 581 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 98.44 -2.9524548 -6.7748237 -0.8235123 1 582 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 98.83 -5.644876 -10.425127 -3.7638288 1 583 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 98.83 -4.6314487 -11.028489 -4.626787 1 584 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 98.83 -3.4807484 -10.037739 -4.7067394 1 585 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 98.83 -3.651847 -8.913075 -5.1769056 1 586 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 98.83 -5.180293 -11.344072 -6.0337214 1 587 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 98.05 -6.3451347 -12.313314 -5.946281 1 588 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 98.44 -4.060131 -11.929968 -6.8973904 1 589 +ATOM N N . THR A0 1 78 . 78 THR A0 N 98.83 -2.3134537 -10.460315 -4.211591 1 590 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 98.83 -1.1698521 -9.558169 -4.1109796 1 591 +ATOM C C . THR A0 1 78 . 78 THR A0 C 98.83 -0.462039 -9.40027 -5.460081 1 592 +ATOM O O . THR A0 1 78 . 78 THR A0 O 98.83 -0.73393637 -10.137447 -6.4127045 1 593 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 98.83 -0.1642417 -10.061863 -3.0658445 1 594 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 98.83 0.37831756 -11.307463 -3.506952 1 595 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 98.83 -0.8428289 -10.248403 -1.7065508 1 596 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 98.83 0.46267208 -8.435623 -5.5212555 1 597 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 98.83 1.1967256 -8.194758 -6.7595234 1 598 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 98.83 1.9928036 -9.421976 -7.1960363 1 599 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 98.83 2.2118254 -9.621784 -8.396321 1 600 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 98.83 2.1219661 -6.9894648 -6.6023607 1 601 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 98.83 2.4313765 -10.237394 -6.2388277 1 602 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 98.44 3.1491342 -11.470716 -6.537696 1 603 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 98.83 2.2235398 -12.682375 -6.6127176 1 604 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 98.83 2.6890452 -13.82879 -6.5611143 1 605 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 98.83 4.2647533 -11.722675 -5.5062037 1 606 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 98.83 3.7612913 -11.826435 -4.0815563 1 607 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 98.83 3.000638 -10.921458 -3.6474738 1 608 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 98.83 4.1488953 -12.792484 -3.3760412 1 609 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 98.83 0.9246589 -12.432316 -6.732551 1 610 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 98.83 -0.09070817 -13.449654 -6.9994497 1 611 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 98.83 -0.34597194 -14.4112835 -5.8369246 1 612 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 98.83 -0.7897303 -15.542911 -6.054491 1 613 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 98.83 0.24894819 -14.23313 -8.27656 1 614 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 98.83 0.26422876 -13.349548 -9.505211 1 615 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 98.83 -0.6759975 -12.540445 -9.671323 1 616 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 98.83 1.2134261 -13.453186 -10.304427 1 617 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 98.83 -0.08443629 -13.979973 -4.6031585 1 618 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 98.83 -0.58062017 -14.723975 -3.4614434 1 619 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 98.83 -2.0520897 -14.399657 -3.2682924 1 620 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 98.83 -2.4752276 -13.244967 -3.418765 1 621 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 98.83 0.17868042 -14.368982 -2.174323 1 622 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 98.44 1.5935497 -14.878677 -2.0777738 1 623 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 98.83 2.2972746 -14.251604 -0.8681332 1 624 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 98.83 2.5951762 -12.842967 -1.1461532 1 625 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 98.83 2.387769 -11.835097 -0.30130714 1 626 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 98.83 1.901666 -12.069479 0.90562934 1 627 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 98.83 2.6840944 -10.59226 -0.6783011 1 628 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 98.83 -2.801815 -15.413824 -2.9184606 1 629 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 98.83 -4.1916795 -15.219216 -2.521978 1 630 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 98.83 -4.2309833 -15.229096 -1.0026629 1 631 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 98.83 -4.0002346 -16.267635 -0.37718904 1 632 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 98.83 -5.077855 -16.325397 -3.0980968 1 633 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 98.83 -5.059969 -16.39665 -4.6150956 1 634 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 98.44 -5.861162 -17.599705 -5.115033 1 635 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 98.05 -5.791375 -17.699808 -6.637867 1 636 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 97.27 -6.5767555 -18.867258 -7.142608 1 637 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 98.83 -4.494971 -14.066517 -0.41594827 1 638 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 98.83 -4.417486 -13.934351 1.0355847 1 639 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 98.83 -5.7380114 -13.439537 1.6122639 1 640 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 98.83 -6.5702934 -12.8627405 0.9171719 1 641 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 98.83 -3.273409 -12.977584 1.4652011 1 642 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 98.83 -1.951955 -13.392862 0.81738794 1 643 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 98.83 -3.6156955 -11.528578 1.108664 1 644 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 98.83 -5.906366 -13.702945 2.8915877 1 645 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 98.83 -6.9621367 -13.066369 3.673646 1 646 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 98.83 -6.3315516 -11.898454 4.4078417 1 647 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 98.83 -5.3696795 -12.0779295 5.1592703 1 648 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 98.83 -7.5698786 -14.039769 4.682721 1 649 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 98.83 -8.255428 -15.248337 4.074918 1 650 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 98.44 -9.562256 -14.870413 3.403429 1 651 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 98.05 -10.323776 -16.113161 2.9519074 1 652 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 97.66 -11.590878 -15.744039 2.2993624 1 653 +ATOM N N . SER A0 1 86 . 86 SER A0 N 98.83 -6.834898 -10.690028 4.1865673 1 654 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 98.83 -6.279655 -9.489659 4.7941456 1 655 +ATOM C C . SER A0 1 86 . 86 SER A0 C 98.83 -7.263373 -8.862905 5.7763367 1 656 +ATOM O O . SER A0 1 86 . 86 SER A0 O 98.83 -8.473871 -8.853422 5.532715 1 657 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 98.83 -5.9202175 -8.44994 3.7234442 1 658 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 98.44 -4.7577376 -8.825666 3.0057945 1 659 +ATOM N N . THR A0 1 87 . 87 THR A0 N 98.83 -6.7353454 -8.360819 6.865635 1 660 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 98.83 -7.503957 -7.542474 7.795577 1 661 +ATOM C C . THR A0 1 87 . 87 THR A0 C 98.83 -6.678131 -6.305067 8.115563 1 662 +ATOM O O . THR A0 1 87 . 87 THR A0 O 98.83 -5.490344 -6.422964 8.420565 1 663 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 98.83 -7.8388987 -8.293173 9.094718 1 664 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 98.83 -8.438121 -9.55451 8.790361 1 665 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 98.83 -8.811949 -7.4800057 9.947056 1 666 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 98.83 -7.302931 -5.138012 8.037604 1 667 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 98.83 -6.613915 -3.8833942 8.319622 1 668 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 98.83 -7.3441668 -3.1711059 9.449202 1 669 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 98.83 -8.569661 -3.0336516 9.41282 1 670 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 98.83 -6.526866 -2.9833791 7.065653 1 671 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 98.83 -5.8491654 -3.751553 5.925226 1 672 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 98.83 -5.768653 -1.7004929 7.384533 1 673 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 98.83 -5.720483 -2.9685433 4.6252346 1 674 +ATOM N N . THR A0 1 89 . 89 THR A0 N 98.83 -6.5764236 -2.7419767 10.443777 1 675 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 98.83 -7.110129 -2.0546613 11.612467 1 676 +ATOM C C . THR A0 1 89 . 89 THR A0 C 98.83 -6.328916 -0.77087957 11.854337 1 677 +ATOM O O . THR A0 1 89 . 89 THR A0 O 98.83 -5.270488 -0.54623973 11.254467 1 678 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 98.83 -7.0322704 -2.9443135 12.870812 1 679 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 98.44 -5.6837826 -3.3665133 13.055925 1 680 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 98.44 -7.9272976 -4.166155 12.722142 1 681 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 98.83 -6.8507576 0.0808159 12.726472 1 682 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 98.83 -6.122821 1.243833 13.207718 1 683 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 98.83 -5.6039753 0.9614829 14.608723 1 684 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 98.83 -6.3789763 0.57954866 15.491036 1 685 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 98.83 -7.020015 2.47946 13.256265 1 686 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 98.83 -7.029543 3.4294043 12.075384 1 687 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 98.83 -7.9852595 4.567175 12.357268 1 688 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 98.44 -5.6383715 3.9640524 11.777005 1 689 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 98.83 -4.299239 1.1357235 14.803925 1 690 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 98.83 -3.6491637 0.9563963 16.100965 1 691 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 98.83 -2.836893 2.214939 16.397266 1 692 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 98.83 -1.7445796 2.400301 15.8653755 1 693 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 98.83 -2.7471957 -0.2831387 16.069592 1 694 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 98.44 -1.9572979 -0.45728076 17.356255 1 695 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 98.44 -2.4114976 0.046587802 18.407297 1 696 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 98.83 -0.8799352 -1.0964715 17.312511 1 697 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 98.83 -3.4009786 3.0988426 17.228842 1 698 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 98.83 -2.6973157 4.3220024 17.578728 1 699 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 98.83 -2.3297005 5.1669116 16.37407 1 700 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 98.83 -1.2163161 5.694976 16.306982 1 701 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 98.83 -3.2323904 5.3264623 15.442074 1 702 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 98.44 -3.0109305 6.1376314 14.258251 1 703 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 98.83 -2.2658095 5.4409294 13.137768 1 704 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 98.83 -2.0340838 6.0563745 12.089263 1 705 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 98.83 -1.8783944 4.1884494 13.335553 1 706 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 98.83 -1.153503 3.417793 12.333102 1 707 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 98.83 -2.0997925 2.4026468 11.699333 1 708 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 98.83 -2.777049 1.6532338 12.412865 1 709 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 98.83 0.057298202 2.690967 12.958454 1 710 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 98.83 0.79144776 1.8647803 11.9087515 1 711 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 98.83 1.0049689 3.6985707 13.611774 1 712 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 98.83 -2.1428993 2.3767734 10.36854 1 713 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 98.83 -2.8985586 1.3510108 9.664669 1 714 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 98.83 -2.0931468 0.053059172 9.679079 1 715 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 98.83 -0.9683865 0.018340569 9.179571 1 716 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 98.83 -3.17275 1.774971 8.220369 1 717 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 98.83 -4.2662287 2.8062513 8.002068 1 718 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 98.44 -4.227791 3.3177366 6.563978 1 719 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 98.83 -5.636921 2.192796 8.293997 1 720 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 98.83 -2.66678 -0.97466546 10.2697525 1 721 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 98.83 -1.9752697 -2.252619 10.429987 1 722 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 98.83 -2.698402 -3.3142517 9.615408 1 723 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 98.83 -3.862606 -3.6322947 9.886768 1 724 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 98.83 -1.9130509 -2.6715875 11.909517 1 725 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 98.83 -1.1940459 -4.0075607 12.044864 1 726 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 98.83 -1.2216988 -1.5920264 12.738409 1 727 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 98.83 -1.9950193 -3.864571 8.62409 1 728 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 98.83 -2.5455694 -4.892024 7.753054 1 729 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 98.83 -1.8827101 -6.2268853 8.042739 1 730 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 98.83 -0.6577604 -6.325009 8.037732 1 731 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 98.83 -2.3248692 -4.516241 6.288253 1 732 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 98.83 -2.7775943 -5.578509 5.296781 1 733 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 98.83 -2.4632437 -5.2056274 3.869573 1 734 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 98.44 -1.7059274 -4.2692804 3.6011977 1 735 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 98.44 -3.0376763 -5.9409046 2.918498 1 736 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 98.83 -2.6871433 -7.2261305 8.308885 1 737 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 98.83 -2.19095 -8.592173 8.4496975 1 738 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 98.83 -2.7160227 -9.41255 7.2827835 1 739 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 98.83 -3.925145 -9.434275 7.0228357 1 740 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 98.83 -2.6281474 -9.223523 9.789619 1 741 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 98.44 -2.081292 -10.646423 9.897959 1 742 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 98.05 -2.1401236 -8.371908 10.953828 1 743 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 98.83 -1.7927577 -10.05841 6.5630646 1 744 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 98.83 -2.1391873 -10.972731 5.484761 1 745 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 98.83 -1.8924708 -12.399303 5.9506884 1 746 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 98.83 -0.8372702 -12.68614 6.5170474 1 747 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 98.83 -1.2913382 -10.715023 4.235656 1 748 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 98.83 -1.5085565 -9.355377 3.6001766 1 749 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 98.83 -0.5628018 -9.1215925 2.4379947 1 750 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 98.83 0.4955204 -9.741858 2.3384492 1 751 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 98.83 -0.9290746 -8.199576 1.5423694 1 752 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 98.83 -2.8369565 -13.280151 5.7072945 1 753 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 98.83 -2.7006192 -14.685587 6.0666604 1 754 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 98.83 -2.919197 -15.554928 4.8344088 1 755 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 98.83 -3.872285 -15.338394 4.08419 1 756 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 98.83 -3.7023172 -15.077889 7.1657696 1 757 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 98.83 -3.5203705 -14.334304 8.473974 1 758 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 98.83 -4.531332 -14.818409 9.509028 1 759 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 98.83 -4.343552 -14.095103 10.835201 1 760 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 98.44 -5.345055 -14.534789 11.845425 1 761 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 98.83 -2.0325928 -16.52177 4.650007 1 762 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 98.83 -2.1739354 -17.468344 3.5505087 1 763 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 98.83 -1.3367734 -18.716019 3.845848 1 764 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 98.83 -0.2266767 -18.630413 4.3684826 1 765 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 98.83 -1.7461395 -16.83342 2.2224066 1 766 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 98.83 -0.25209647 -16.731133 2.0328588 1 767 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 98.83 0.5186596 -17.54301 1.2288293 1 768 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 98.83 0.6579045 -15.834735 2.6575246 1 769 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 98.83 1.8386564 -17.16999 1.3199863 1 770 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 98.83 1.9429784 -16.11771 2.1931317 1 771 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 98.83 0.48185712 -14.778453 3.5816562 1 772 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 98.83 3.0736272 -15.412098 2.6090164 1 773 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 98.83 1.6115105 -14.076235 3.9848077 1 774 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 98.83 2.8733819 -14.392054 3.5060444 1 775 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 98.83 -1.8507688 -19.867065 3.5176053 1 776 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 98.83 -1.1289448 -21.136316 3.5918684 1 777 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 98.83 -0.3767914 -21.302147 4.919533 1 778 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 98.83 0.77503014 -21.762302 4.949085 1 779 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 98.83 -0.16518566 -21.257912 2.4039245 1 780 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 98.83 0.3569679 -22.674488 2.2185311 1 781 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 98.83 -0.37460533 -23.637638 2.5881307 1 782 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 98.44 1.4817836 -22.85554 1.7026601 1 783 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 98.83 -0.99115384 -20.950907 6.025796 1 784 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 98.83 -0.39341766 -21.087994 7.342402 1 785 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 98.83 0.67067486 -20.067657 7.663753 1 786 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 98.83 1.3255064 -20.18591 8.707497 1 787 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 98.83 0.8664396 -19.079058 6.7916794 1 788 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 98.83 1.8571723 -18.021946 7.0005436 1 789 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 98.83 1.1548994 -16.694332 7.2378645 1 790 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 98.83 -0.04594779 -16.557299 6.986185 1 791 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 98.83 2.7813535 -17.902208 5.7724295 1 792 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 98.83 3.4304466 -19.1966 5.3306026 1 793 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 98.83 4.11845 -19.015491 3.9837213 1 794 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 98.83 4.533307 -20.352642 3.3815224 1 795 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 98.83 5.10331 -20.16238 2.023251 1 796 +ATOM N N . SER A0 1 105 . 105 SER A0 N 98.83 1.9211552 -15.712366 7.7183313 1 797 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 98.83 1.3628342 -14.376714 7.840765 1 798 +ATOM C C . SER A0 1 105 . 105 SER A0 C 98.83 2.4594939 -13.333839 7.7062798 1 799 +ATOM O O . SER A0 1 105 . 105 SER A0 O 98.83 3.636016 -13.6020565 7.977339 1 800 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 98.83 0.61071646 -14.195229 9.165533 1 801 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 98.44 1.4847138 -13.991787 10.245633 1 802 +ATOM N N . THR A0 1 106 . 106 THR A0 N 98.83 2.0720356 -12.160809 7.2662587 1 803 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 98.83 2.9733052 -11.016506 7.190465 1 804 +ATOM C C . THR A0 1 106 . 106 THR A0 C 98.83 2.1923604 -9.783025 7.612245 1 805 +ATOM O O . THR A0 1 106 . 106 THR A0 O 98.83 0.96689075 -9.721144 7.4302497 1 806 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 98.83 3.567321 -10.838505 5.7666464 1 807 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 98.83 4.5432777 -9.792911 5.770997 1 808 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 98.83 2.477208 -10.5059 4.7441745 1 809 +ATOM N N . THR A0 1 107 . 107 THR A0 N 98.83 2.8891835 -8.803802 8.200064 1 810 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 98.83 2.2405994 -7.5855217 8.66157 1 811 +ATOM C C . THR A0 1 107 . 107 THR A0 C 98.83 2.8399086 -6.3756166 7.9512596 1 812 +ATOM O O . THR A0 1 107 . 107 THR A0 O 98.83 4.0629044 -6.256995 7.8336554 1 813 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 98.83 2.3816395 -7.424038 10.185914 1 814 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 98.83 1.7012018 -8.502 10.829283 1 815 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 98.83 1.7667143 -6.1063375 10.65493 1 816 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 98.83 1.9580998 -5.49284 7.4866 1 817 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 98.83 2.3523026 -4.2565827 6.821759 1 818 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 98.83 1.7428751 -3.088713 7.594782 1 819 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 98.83 0.5169953 -3.0164132 7.742605 1 820 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 98.83 1.8705273 -4.2345123 5.3554897 1 821 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 98.83 2.4467435 -5.4265714 4.5815125 1 822 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 98.83 2.2463517 -2.9133084 4.6901255 1 823 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 98.83 1.661511 -5.762674 3.3219364 1 824 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 98.83 2.603104 -2.2075534 8.103489 1 825 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 98.83 2.1372166 -1.0288717 8.832036 1 826 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 98.83 2.3674064 0.21609357 7.990555 1 827 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 98.83 3.4474635 0.38504863 7.399097 1 828 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 98.83 2.8695436 -0.89145756 10.177885 1 829 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 98.83 2.5400898 -1.9823838 11.169178 1 830 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 98.44 3.2957392 -1.754585 12.478804 1 831 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 98.44 2.8905153 -2.7863228 13.52449 1 832 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 98.83 3.6071923 -2.5630517 14.7990265 1 833 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 98.83 1.364532 1.0829349 7.943636 1 834 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 98.83 1.4587953 2.338544 7.2155285 1 835 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 98.83 1.2192807 3.4755626 8.19124 1 836 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 98.83 0.19914001 3.4922109 8.896963 1 837 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 98.83 0.43534654 2.3769457 6.0744753 1 838 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 98.83 0.67090666 1.2978027 5.017452 1 839 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 98.83 -0.4139955 1.3079319 3.9345925 1 840 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 98.83 -0.12558313 0.3681777 2.8451486 1 841 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 98.83 -0.53109103 -0.91505975 2.8424203 1 842 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 98.83 -1.2300829 -1.4070196 3.8662982 1 843 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 98.83 -0.20975412 -1.6973107 1.8302329 1 844 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 98.83 2.1527486 4.4225655 8.268042 1 845 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 98.83 2.0425973 5.5305357 9.208739 1 846 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 98.83 2.5236576 6.8218064 8.56636 1 847 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 98.83 3.3135068 6.8156524 7.6265182 1 848 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 98.83 2.8652787 5.24701 10.477913 1 849 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 97.66 4.3777723 5.2479763 10.255345 1 850 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 97.27 5.1226053 5.1066184 11.575802 1 851 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 95.7 6.628577 5.1063538 11.336821 1 852 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 94.14 7.380578 5.0646324 12.612229 1 853 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 98.83 2.0300882 7.9210052 9.112925 1 854 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 98.83 2.5422885 9.224714 8.721791 1 855 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 98.83 3.7110176 9.587098 9.62434 1 856 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 98.83 3.6197307 9.44136 10.858992 1 857 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 98.83 1.4430993 10.286168 8.819188 1 858 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 98.83 0.40125167 10.255875 7.6998267 1 859 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 98.83 1.0120339 10.6859455 6.369509 1 860 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 98.44 1.8855485 11.856653 6.4892435 1 861 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 98.44 1.466835 13.116026 6.4892073 1 862 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 98.44 0.17732789 13.382993 6.343206 1 863 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 98.44 2.3602476 14.092949 6.626524 1 864 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 98.83 4.801372 10.038864 9.006857 1 865 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 98.83 5.966419 10.539505 9.728003 1 866 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 98.83 6.4590364 11.775267 8.986029 1 867 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 98.83 6.834016 11.685092 7.8184237 1 868 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 98.83 7.048237 9.459017 9.796674 1 869 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 98.83 8.340836 9.923992 10.442355 1 870 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 98.44 9.41517 8.868816 10.443704 1 871 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 98.05 9.156509 7.736524 10.89126 1 872 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 98.05 10.541301 9.160074 9.977502 1 873 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 98.44 6.444421 12.910867 9.679198 1 874 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 98.83 6.717861 14.188236 9.024442 1 875 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 98.83 5.795892 14.327996 7.8228607 1 876 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 98.83 4.5803313 14.148962 7.968868 1 877 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 98.83 8.210508 14.300498 8.644264 1 878 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 98.44 9.120189 14.302012 9.85993 1 879 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 98.44 8.660593 14.713499 10.938392 1 880 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 98.44 10.294944 13.893323 9.7364 1 881 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 98.83 6.3067365 14.634044 6.6401963 1 882 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 98.83 5.472129 14.738291 5.444826 1 883 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 98.83 5.4731884 13.455753 4.628175 1 884 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 98.83 5.066478 13.467442 3.4620674 1 885 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 98.83 5.940724 15.906615 4.5672607 1 886 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 98.83 5.6551023 17.24868 5.1903095 1 887 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 98.05 4.499637 17.47285 5.6218605 1 888 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 98.05 6.579583 18.080729 5.2554164 1 889 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 98.83 5.897417 12.3569145 5.2468762 1 890 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 98.83 6.0508113 11.094679 4.5249786 1 891 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 98.83 5.0085535 10.069485 4.9607706 1 892 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 98.83 4.4370728 10.166022 6.05568 1 893 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 98.83 7.457224 10.528454 4.7519956 1 894 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 98.83 8.584021 11.472954 4.3811693 1 895 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 98.83 9.944784 10.844236 4.6458073 1 896 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 98.05 11.082904 11.789423 4.290435 1 897 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 96.48 11.101096 12.983873 5.1823626 1 898 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 98.83 4.7906885 9.107831 4.0970664 1 899 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 98.83 4.023787 7.9165792 4.427161 1 900 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 98.83 5.02574 6.7745943 4.476819 1 901 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 98.83 5.6536903 6.45065 3.4645557 1 902 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 98.83 2.9457345 7.6592283 3.3666863 1 903 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 98.83 1.8097498 6.681163 3.697414 1 904 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 98.44 0.72470164 6.7875004 2.62832 1 905 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 98.83 2.281693 5.2548943 3.8218043 1 906 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 98.83 5.210131 6.2015114 5.656944 1 907 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 98.83 6.209358 5.1616 5.868838 1 908 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 98.83 5.5061593 3.8119612 5.9613576 1 909 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 98.83 4.571418 3.6456833 6.7582765 1 910 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 98.83 7.0403376 5.430342 7.1330194 1 911 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 98.83 8.083488 4.339607 7.3249245 1 912 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 98.83 7.7111554 6.8036394 7.0336657 1 913 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 98.83 5.969556 2.872155 5.142162 1 914 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 98.83 5.404152 1.532117 5.0921984 1 915 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 98.83 6.4459724 0.55776596 5.628544 1 916 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 98.83 7.552409 0.46914893 5.0941124 1 917 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 98.83 5.0134053 1.1367414 3.6497617 1 918 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 98.83 4.342779 -0.23148608 3.639175 1 919 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 98.44 4.0983763 2.1910515 3.027651 1 920 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 98.83 6.1035748 -0.14532095 6.7021184 1 921 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 98.83 7.000892 -1.1295727 7.2929716 1 922 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 98.83 6.39313 -2.5128007 7.1229706 1 923 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 98.83 5.265905 -2.762321 7.558654 1 924 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 98.83 7.2394323 -0.826393 8.769627 1 925 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 97.27 8.255081 -1.7683172 9.419815 1 926 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 96.88 8.449967 -1.4946796 10.899404 1 927 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 95.31 9.56916 -1.1065077 11.297652 1 928 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 95.31 7.4714155 -1.6607523 11.653833 1 929 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 98.83 7.125786 -3.389182 6.459757 1 930 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 98.83 6.662939 -4.733252 6.146168 1 931 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 98.83 7.501957 -5.753421 6.9013624 1 932 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 98.83 8.730948 -5.6831527 6.8540826 1 933 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 98.83 6.781753 -5.0144796 4.6480207 1 934 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 98.44 6.185598 -3.7156858 3.610716 1 935 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 98.83 6.863264 -6.6820173 7.574975 1 936 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 98.83 7.56975 -7.687065 8.362223 1 937 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 98.83 7.1022635 -9.079634 7.9518886 1 938 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 98.83 5.896784 -9.351113 7.9137783 1 939 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 98.83 7.3492317 -7.480486 9.877087 1 940 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 98.44 8.072781 -8.562588 10.667795 1 941 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 98.05 7.8258877 -6.104461 10.300719 1 942 +ATOM N N . MET A0 1 123 . 123 MET A0 N 98.83 8.071354 -9.932896 7.641202 1 943 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 98.83 7.816495 -11.350337 7.3756332 1 944 +ATOM C C . MET A0 1 123 . 123 MET A0 C 98.83 8.815547 -12.144166 8.196444 1 945 +ATOM O O . MET A0 1 123 . 123 MET A0 O 98.44 10.008069 -12.101213 7.9121447 1 946 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 98.83 7.9574876 -11.649036 5.8877916 1 947 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 98.44 7.8327928 -13.125315 5.5305395 1 948 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 98.83 6.151263 -13.699436 5.776438 1 949 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 98.44 6.3665113 -15.474125 5.525565 1 950 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 98.83 8.310625 -12.815073 9.21389 1 951 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 98.44 9.163843 -13.547251 10.149855 1 952 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 98.05 10.266863 -12.631171 10.665773 1 953 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 96.88 9.95216 -11.627671 11.309711 1 954 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 98.05 9.678398 -14.822201 9.471982 1 955 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 96.48 8.556465 -15.862741 9.304029 1 956 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 95.31 8.734163 -16.761616 8.097517 1 957 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 93.75 9.983269 -17.603668 8.138946 1 958 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 92.19 9.995556 -18.566341 6.9889736 1 959 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 98.44 11.548179 -12.87884 10.397951 1 960 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 98.83 12.606319 -12.041351 10.949334 1 961 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 98.83 13.012419 -10.849215 10.121857 1 962 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 98.44 13.888577 -10.081053 10.549015 1 963 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 98.83 12.423811 -10.662713 8.947305 1 964 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 98.83 12.881771 -9.658689 7.9953423 1 965 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 98.83 11.958353 -8.446687 7.9955792 1 966 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 98.83 10.736739 -8.592196 7.892885 1 967 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 98.83 12.978466 -10.245833 6.5708447 1 968 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 98.83 13.355263 -9.174206 5.5615883 1 969 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 98.83 13.99376 -11.386737 6.544525 1 970 +ATOM N N . THR A0 1 127 . 127 THR A0 N 98.83 12.550646 -7.254864 8.105452 1 971 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 98.83 11.807689 -6.004178 8.066671 1 972 +ATOM C C . THR A0 1 127 . 127 THR A0 C 98.83 12.239519 -5.1849723 6.8581066 1 973 +ATOM O O . THR A0 1 127 . 127 THR A0 O 98.83 13.431295 -4.963707 6.6382775 1 974 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 98.83 12.024513 -5.183509 9.348089 1 975 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 98.83 11.554298 -5.9179726 10.475203 1 976 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 98.83 11.275682 -3.85342 9.274476 1 977 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 98.83 11.2639885 -4.739148 6.085266 1 978 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 98.83 11.472986 -3.8522096 4.951445 1 979 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 98.83 10.819625 -2.5158553 5.256535 1 980 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 98.83 9.734383 -2.4781437 5.8380785 1 981 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 98.83 10.856939 -4.4727116 3.701324 1 982 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 98.83 10.661972 -3.3596501 2.3009768 1 983 +ATOM N N . THR A0 1 129 . 129 THR A0 N 98.83 11.475893 -1.4119061 4.8760314 1 984 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 98.83 10.892927 -0.08818637 5.0394754 1 985 +ATOM C C . THR A0 1 129 . 129 THR A0 C 98.83 10.828746 0.5998721 3.677461 1 986 +ATOM O O . THR A0 1 129 . 129 THR A0 O 98.83 11.845694 0.6881597 2.9742303 1 987 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 98.83 11.704403 0.7728417 6.0233717 1 988 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 98.83 11.754561 0.12054869 7.2898307 1 989 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 98.83 11.05625 2.1448917 6.192668 1 990 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 98.83 9.659622 1.1118865 3.3469958 1 991 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 98.83 9.445652 1.8331951 2.0942893 1 992 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 98.83 8.826945 3.1851335 2.3993382 1 993 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 98.83 7.8471546 3.2697392 3.162191 1 994 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 98.83 8.581445 1.021131 1.1280093 1 995 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 98.83 9.373024 -0.14346054 0.53678596 1 996 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 98.83 8.524563 -1.2319163 -0.046877503 1 997 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 98.83 7.8317456 -0.90010333 -1.2990419 1 998 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 98.83 8.399818 -0.9044001 -2.509942 1 999 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 98.83 9.693785 -1.1565517 -2.653511 1 1000 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 98.83 7.661372 -0.640908 -3.5719378 1 1001 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 98.83 9.430511 4.2283573 1.8486669 1 1002 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 98.83 9.051794 5.597762 2.1795812 1 1003 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 98.83 8.437965 6.2769904 0.967875 1 1004 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 98.83 9.007561 6.2447195 -0.13033064 1 1005 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 98.83 10.26423 6.4132457 2.6837306 1 1006 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 98.44 9.854546 7.8358088 3.006562 1 1007 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 98.44 10.882307 5.7337112 3.9100885 1 1008 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 98.83 7.2859974 6.891234 1.1962304 1 1009 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 98.83 6.5668125 7.624012 0.16130516 1 1010 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 98.83 6.482976 9.094359 0.52646816 1 1011 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 98.83 6.38669 9.456829 1.705917 1 1012 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 98.83 5.1410246 7.0717554 0.0041400986 1 1013 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 98.83 5.0555706 5.700552 -0.61156857 1 1014 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 98.83 5.374114 4.5569143 0.11823943 1 1015 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 98.83 4.657301 5.5312586 -1.9305339 1 1016 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 98.83 5.2976074 3.2971516 -0.45208365 1 1017 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 98.83 4.5696707 4.2783794 -2.5120344 1 1018 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 98.83 4.891142 3.1659157 -1.7634482 1 1019 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 98.83 4.8223395 1.9287071 -2.3215714 1 1020 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 98.83 6.503558 9.9578495 -0.48366955 1 1021 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 98.83 6.242811 11.380297 -0.3232696 1 1022 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 98.83 5.066251 11.772654 -1.1921079 1 1023 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 98.83 4.7217436 11.07691 -2.1403713 1 1024 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 98.83 7.4852767 12.197419 -0.6792396 1 1025 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 98.83 8.617109 12.009719 0.31913143 1 1026 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 98.83 9.871252 12.785586 -0.039269708 1 1027 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 98.44 10.8358345 12.727212 0.7540903 1 1028 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 98.44 9.896013 13.455511 -1.0981349 1 1029 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 98.83 4.452262 12.908325 -0.8629953 1 1030 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 98.83 3.293299 13.339612 -1.6416395 1 1031 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 98.83 3.7010775 13.614317 -3.0889897 1 1032 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 98.83 4.7451687 14.211906 -3.344473 1 1033 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 98.83 2.6581092 14.583229 -1.0099559 1 1034 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 98.83 1.9321091 14.248743 0.28696162 1 1035 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 98.83 0.94179344 15.340717 0.68357515 1 1036 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 98.83 0.32428926 15.049977 1.9829011 1 1037 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 98.83 -0.78291917 14.321089 2.1373866 1 1038 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 98.44 -1.2611313 14.105959 3.3541145 1 1039 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 98.44 -1.4085705 13.80376 1.076983 1 1040 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 98.83 2.8757782 13.127676 -4.004776 1 1041 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 98.44 3.160111 13.28255 -5.419669 1 1042 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 98.44 2.7193155 14.656201 -5.9082813 1 1043 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 98.44 2.0734732 15.411838 -5.1763377 1 1044 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 98.44 2.4803066 12.17578 -6.2280483 1 1045 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 98.05 3.0712795 15.03298 -7.0071683 1 1046 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 97.27 -2.7759752 -2.6412356 -2.310426 1 1047 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 97.27 -2.34507 -3.8429184 -3.052826 1 1048 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 97.66 -1.647332 -2.3863578 -1.0024489 1 1049 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 98.05 -2.7375479 -1.3099334 -3.3859777 1 1050 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 95.7 -4.098631 -7.95865 -9.881212 1 1051 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 95.7 -3.6207538 -6.8530474 -10.746505 1 1052 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 96.09 -2.8764935 -9.169336 -9.830064 1 1053 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 96.88 -5.5470915 -8.573914 -10.521086 1 1054 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 96.48 -0.81459117 16.273006 6.441889 1 1055 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 96.09 -1.2752666 15.723782 7.7206974 1 1056 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 96.48 0.5428654 17.302979 6.6974773 1 1057 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 96.88 -2.1056328 17.079376 5.67634 1 1058 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 98.83 4.2969494 -3.523098 -3.773706 1 1059 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 98.83 4.2801285 -4.7236032 -2.9916964 1 1060 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 98.83 4.197238 -4.667964 -1.6483824 1 1061 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 98.83 4.135383 -3.495788 -0.9742084 1 1062 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 98.83 4.1871147 -2.265662 -1.6912868 1 1063 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 98.83 4.2595863 -2.3105326 -3.0808353 1 1064 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 98.83 5.27712 -8.154165 -3.529646 1 1065 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 98.83 4.149081 -0.9396214 -1.0013543 1 1066 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 98.83 4.3555517 -3.5557323 -5.243134 1 1067 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 98.83 5.5862937 -3.5682974 -5.8910737 1 1068 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 98.83 5.636836 -3.56607 -7.3017087 1 1069 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 98.83 4.451105 -3.4998677 -8.052089 1 1070 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 98.83 3.209878 -3.4507005 -7.371006 1 1071 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 98.83 3.170627 -3.465985 -5.9723954 1 1072 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 98.83 4.3648496 -5.9243345 -3.5727558 1 1073 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 98.83 4.067315 -3.5529604 0.5515647 1 1074 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 98.83 4.963952 -2.7688775 1.0831834 1 1075 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 98.44 2.8570738 -3.1963587 0.94368184 1 1076 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 98.44 4.3130054 -4.772396 0.9657743 1 1077 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 98.44 4.6204634 -7.068435 -2.7127335 1 1078 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 98.83 6.376214 -7.6835413 -4.0781064 1 1079 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 98.83 4.4595394 -8.520819 -4.476193 1 1080 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 98.83 5.56697 -9.175932 -2.750702 1 1081 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 98.83 3.118822 -0.5810854 -0.41848704 1 1082 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 98.44 5.2005944 -0.23707268 -1.0546811 1 1083 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..c83e73099af1eaf5c4572079e55dba10b7990a72 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_0_postprocessed.cif @@ -0,0 +1,1410 @@ +data_7fwf-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 0 -17.956553 14.39956 8.187052 1 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 0 -16.997038 14.7276745 9.230478 1 2 1 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 0 -15.626186 14.156258 8.940973 1 3 1 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 0 -15.457923 13.332285 8.033081 1 4 1 +ATOM N N . SER A0 1 2 . 2 SER A0 N 0 -14.643219 14.596021 9.706203 1 5 1 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 0 -13.273298 14.138758 9.539061 1 6 1 +ATOM C C . SER A0 1 2 . 2 SER A0 C 0 -13.109173 12.717714 10.069429 1 7 1 +ATOM O O . SER A0 1 2 . 2 SER A0 O 0 -13.904017 12.249889 10.900097 1 8 1 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 0 -12.308868 15.0817585 10.258247 1 9 1 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 0 -12.400461 16.400063 9.751256 1 10 1 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 0 -12.087723 12.0479355 9.585967 1 11 1 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 0 -11.753349 10.702549 10.0383415 1 12 1 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 0 -10.276961 10.654298 10.393252 1 13 1 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 0 -9.473423 11.437967 9.8773985 1 14 1 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 0 -12.056852 9.670743 8.951511 1 15 1 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 0 -13.463337 9.67616 8.465612 1 16 1 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 0 -13.928008 10.559698 7.518585 1 17 1 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 0 -14.505718 8.88946 8.793691 1 18 1 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 0 -15.201314 10.330376 7.287777 1 19 1 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 0 -15.581129 9.309845 8.050386 1 20 1 +ATOM N N . MET A0 1 4 . 4 MET A0 N 0 -9.91849 9.718187 11.2681675 1 21 1 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 0 -8.522451 9.533815 11.6350765 1 22 1 +ATOM C C . MET A0 1 4 . 4 MET A0 C 0 -7.674055 9.214373 10.39606 1 23 1 +ATOM O O . MET A0 1 4 . 4 MET A0 O 0 -6.5310717 9.665394 10.288368 1 24 1 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 0 -8.392107 8.410292 12.678238 1 25 1 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 0 -6.955448 8.189379 13.157812 1 26 1 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 0 -6.477412 9.398352 14.38981 1 27 1 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 0 -6.8918905 8.512167 15.874543 1 28 1 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 0 -8.237587 8.481324 9.4564705 1 29 1 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 0 -7.4789853 8.092934 8.273248 1 30 1 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 0 -7.328665 9.209547 7.2553253 1 31 1 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 0 -6.6811457 9.019936 6.2229996 1 32 1 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 0 -8.10376 6.8676085 7.6185126 1 33 1 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 0 -9.842955 7.080128 7.208775 1 34 1 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 0 -7.8657966 10.390287 7.5402174 1 35 1 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 0 -7.6890655 11.525811 6.642975 1 36 1 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 0 -6.211384 11.842058 6.404018 1 37 1 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 0 -5.8499637 12.337051 5.3322268 1 38 1 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 0 -8.38547 12.770756 7.200854 1 39 1 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 0 -9.891256 12.700954 7.0974617 1 40 1 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 0 -10.417322 11.738491 6.489893 1 41 1 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 0 -10.556423 13.620237 7.611551 1 42 1 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 0 -5.3480177 11.577922 7.3966007 1 43 1 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 0 -3.927004 11.878906 7.2704296 1 44 1 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 0 -3.2417722 11.025554 6.206729 1 45 1 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 0 -2.148109 11.375262 5.7535734 1 46 1 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 0 -3.224666 11.695168 8.612456 1 47 1 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 0 -3.8480222 9.910813 5.826881 1 48 1 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 0 -3.2908218 9.031958 4.8103876 1 49 1 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 0 -3.7805524 9.3776045 3.404319 1 50 1 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 0 -3.1702452 8.954856 2.4214523 1 51 1 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 0 -3.6436505 7.5735273 5.113543 1 52 1 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 0 -3.0283358 7.051384 6.3797107 1 53 1 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 0 -3.7553701 7.0197678 7.559983 1 54 1 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 0 -1.7222108 6.5994034 6.3869715 1 55 1 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 0 -3.185221 6.5422316 8.736063 1 56 1 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 0 -1.1482269 6.1227922 7.558151 1 57 1 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 0 -1.8865173 6.0919075 8.731984 1 58 1 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 0 -4.862797 10.122504 3.2938004 1 59 1 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 0 -5.5218353 10.355945 2.0147972 1 60 1 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 0 -4.6447453 11.215273 1.1116817 1 61 1 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 0 -4.1103973 12.236893 1.5469204 1 62 1 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 0 -6.9090214 11.002248 2.2226052 1 63 1 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 0 -7.50413 11.455864 0.8960911 1 64 1 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 0 -7.8375196 10.017759 2.9298174 1 65 1 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 0 -4.526222 10.809745 -0.12904981 1 66 1 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 0 -3.7839022 11.5742 -1.1152477 1 67 1 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 0 -3.06564 10.6775 -2.0978765 1 68 1 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 0 -3.298078 9.467897 -2.1546907 1 69 1 +ATOM N N . THR A0 1 11 . 11 THR A0 N 0 -2.2002418 11.279967 -2.8767118 1 70 1 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 0 -1.4037397 10.576468 -3.8737967 1 71 1 +ATOM C C . THR A0 1 11 . 11 THR A0 C 0 0.048497386 10.59877 -3.4336228 1 72 1 +ATOM O O . THR A0 1 11 . 11 THR A0 O 0 0.5874386 11.662505 -3.1037986 1 73 1 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 0 -1.5620687 11.221105 -5.2603674 1 74 1 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 0 -2.9491725 11.196428 -5.6215196 1 75 1 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 0 -0.7561749 10.457685 -6.3081646 1 76 1 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 0 0.66726977 9.441275 -3.3960547 1 77 1 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 0 1.9915755 9.253982 -2.8353028 1 78 1 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 0 2.9015565 8.583476 -3.861292 1 79 1 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 0 2.4494557 7.75592 -4.657125 1 80 1 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 0 1.9247986 8.3891735 -1.5691384 1 81 1 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 0 1.0200192 8.925576 -0.5084317 1 82 1 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 0 -0.3194248 8.669485 -0.36578956 1 83 1 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 0 1.3704616 9.797719 0.5572586 1 84 1 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 0 -0.8131401 9.322107 0.73060215 1 85 1 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 0 0.20681661 10.032636 1.3130109 1 86 1 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 0 2.5619752 10.409485 0.9490218 1 87 1 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 0 0.20535682 10.842152 2.444087 1 88 1 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 0 2.5614119 11.2126045 2.0648699 1 89 1 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 0 1.388263 11.427008 2.802281 1 90 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 4.190768 8.947433 -3.8143961 1 91 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 5.1738815 8.344234 -4.710522 1 92 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 6.310618 7.73907 -3.8951874 1 93 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 6.7825184 8.345745 -2.9319756 1 94 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 5.724636 9.374971 -5.7081456 1 95 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 6.449396 10.551737 -5.0589805 1 96 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 6.946356 11.527704 -6.124095 1 97 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 7.6063375 12.733765 -5.483587 1 98 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 8.103739 13.687479 -6.497492 1 99 1 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 0 6.742403 6.5470214 -4.292721 1 100 1 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 0 7.8428974 5.880037 -3.6002853 1 101 1 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 0 9.154455 6.6182985 -3.8468227 1 102 1 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 0 9.501289 6.908381 -4.996606 1 103 1 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 0 7.9762187 4.435233 -4.07895 1 104 1 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 0 9.037645 3.6039538 -3.3518047 1 105 1 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 0 9.399641 2.374014 -4.17385 1 106 1 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 0 8.544232 3.2107298 -1.9716456 1 107 1 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 0 9.881649 6.938307 -2.7574615 1 108 1 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 0 11.163115 7.6066175 -2.8887248 1 109 1 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 0 12.319942 6.8278036 -2.2712507 1 110 1 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 0 13.476572 7.1395216 -2.548324 1 111 1 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 0 11.131014 9.034487 -2.29431 1 112 1 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 0 10.134788 9.908148 -3.0649414 1 113 1 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 0 10.800321 9.000612 -0.81345725 1 114 1 +ATOM N N . SER A0 1 16 . 16 SER A0 N 0 12.023012 5.8292847 -1.4560285 1 115 1 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 0 13.071999 5.0612106 -0.7970319 1 116 1 +ATOM C C . SER A0 1 16 . 16 SER A0 C 0 12.57408 3.6575315 -0.48017755 1 117 1 +ATOM O O . SER A0 1 16 . 16 SER A0 O 0 11.393455 3.4768746 -0.15175056 1 118 1 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 0 13.519377 5.7677355 0.4841596 1 119 1 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 0 14.427191 4.9840918 1.227619 1 120 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 13.470385 2.6982152 -0.55503476 1 121 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 13.135662 1.320267 -0.24373662 1 122 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 14.355034 0.61488974 0.33937052 1 123 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 15.443879 0.69322276 -0.22929005 1 124 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 12.650843 0.59895283 -1.4949436 1 125 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 12.221249 -0.71776426 -1.1953363 1 126 1 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 0 14.188601 -0.02940492 1.4901285 1 127 1 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 0 15.261143 -0.7684879 2.133111 1 128 1 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 0 14.804964 -2.1940365 2.420198 1 129 1 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 0 13.729883 -2.3953018 3.003325 1 130 1 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 0 15.682549 -0.09411113 3.44411 1 131 1 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 0 16.491215 1.1844977 3.2730956 1 132 1 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 0 17.916492 0.9385269 2.8388927 1 133 1 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 0 18.519499 1.8493296 2.2434888 1 134 1 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 0 18.44004 -0.17643338 3.0994031 1 135 1 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 0 15.60511 -3.1751125 2.014184 1 136 1 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 0 15.406952 -4.5934277 2.2871926 1 137 1 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 0 14.189802 -5.1992865 1.589472 1 138 1 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 0 13.711181 -6.2594824 1.9880769 1 139 1 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 0 15.316002 -4.852386 3.7939358 1 140 1 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 0 16.62326 -4.626403 4.502417 1 141 1 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 0 17.685535 -4.783496 3.9111373 1 142 1 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 0 16.543154 -4.2720237 5.781489 1 143 1 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 0 13.663711 -4.5624003 0.537693 1 144 1 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 0 12.477338 -5.0888767 -0.13576284 1 145 1 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 0 12.768115 -6.439553 -0.79838157 1 146 1 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 0 11.914376 -7.3302994 -0.77901006 1 147 1 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 0 11.952507 -4.0716295 -1.1504133 1 148 1 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 0 10.602026 -4.417713 -1.7245867 1 149 1 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 0 10.410512 -4.443637 -3.0971224 1 150 1 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 0 9.528321 -4.6838303 -0.89401543 1 151 1 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 0 9.163794 -4.7321734 -3.6378086 1 152 1 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 0 8.278344 -4.9740853 -1.4210954 1 153 1 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 0 8.097103 -5.000883 -2.7991564 1 154 1 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 0 13.973337 -6.5963106 -1.3622489 1 155 1 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 0 14.325202 -7.872949 -1.9704578 1 156 1 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 0 14.351408 -8.990868 -0.93132234 1 157 1 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 0 13.83955 -10.085382 -1.176537 1 158 1 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 0 15.675804 -7.7787776 -2.6840825 1 159 1 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 0 16.002934 -9.043986 -3.4563897 1 160 1 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 0 15.342462 -9.287117 -4.4900765 1 161 1 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 0 16.900368 -9.807096 -3.0381246 1 162 1 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 0 14.934782 -8.725361 0.24062955 1 163 1 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 0 14.964178 -9.717617 1.3115327 1 164 1 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 0 13.550579 -10.050022 1.7908208 1 165 1 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 0 13.234243 -11.211621 2.0665226 1 166 1 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 0 15.809034 -9.210171 2.4830234 1 167 1 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 0 17.284899 -9.108101 2.1555653 1 168 1 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 0 17.759384 -9.853666 1.2723435 1 169 1 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 0 17.9666 -8.282389 2.7914393 1 170 1 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 0 12.711131 -9.038095 1.9067688 1 171 1 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 0 11.317703 -9.253544 2.295652 1 172 1 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 0 10.600435 -10.142899 1.2760892 1 173 1 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 0 9.915319 -11.104859 1.6519454 1 174 1 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 0 10.604951 -7.899023 2.4456959 1 175 1 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 0 9.114735 -8.013138 2.7165723 1 176 1 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 0 8.189192 -7.690571 1.7255911 1 177 1 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 0 8.6415615 -8.422864 3.9546316 1 178 1 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 0 6.828562 -7.7803507 1.9685013 1 179 1 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 0 7.2797737 -8.5128975 4.2082005 1 180 1 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 0 6.3827324 -8.192753 3.2068405 1 181 1 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 0 5.0371847 -8.276316 3.4504123 1 182 1 +ATOM N N . MET A0 1 24 . 24 MET A0 N 0 10.773482 -9.8315735 -0.0131580345 1 183 1 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 0 10.152929 -10.64398 -1.0492908 1 184 1 +ATOM C C . MET A0 1 24 . 24 MET A0 C 0 10.665997 -12.084813 -1.013951 1 185 1 +ATOM O O . MET A0 1 24 . 24 MET A0 O 0 9.889138 -13.02417 -1.1965733 1 186 1 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 0 10.390171 -10.0246725 -2.427473 1 187 1 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 0 9.5926 -8.749963 -2.6703053 1 188 1 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 0 9.703653 -8.193468 -4.4003263 1 189 1 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 0 11.420385 -7.669162 -4.4670115 1 190 1 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 0 11.977972 -12.26545 -0.7871889 1 191 1 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 0 12.526865 -13.618462 -0.66263294 1 192 1 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 0 11.825901 -14.377495 0.45203203 1 193 1 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 0 11.471884 -15.544287 0.2937806 1 194 1 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 0 14.030402 -13.567657 -0.36895114 1 195 1 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 0 14.91638 -13.252752 -1.5478333 1 196 1 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 0 16.38925 -13.347815 -1.1420065 1 197 1 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 0 17.326736 -12.872623 -2.2439587 1 198 1 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 0 18.74629 -12.931145 -1.8228399 1 199 1 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 0 11.641492 -13.716767 1.5941207 1 200 1 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 0 11.02899 -14.375541 2.7351024 1 201 1 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 0 9.571543 -14.733515 2.4500723 1 202 1 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 0 9.056631 -15.719719 2.990708 1 203 1 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 0 11.140493 -13.484324 3.975782 1 204 1 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 0 11.093582 -14.248163 5.287735 1 205 1 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 0 12.294287 -15.153721 5.504647 1 206 1 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 0 13.32978 -14.9765 4.821701 1 207 1 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 0 12.190907 -16.041115 6.361506 1 208 1 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 0 8.907776 -13.937524 1.612498 1 209 1 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 0 7.5423293 -14.250863 1.1903479 1 210 1 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 0 7.477313 -15.440157 0.23027381 1 211 1 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 0 6.39275 -15.983681 -0.007382216 1 212 1 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 0 6.9005504 -13.039617 0.5003177 1 213 1 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 0 6.4996243 -11.839504 1.3635131 1 214 1 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 0 5.990063 -10.715353 0.4563412 1 215 1 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 0 5.4404445 -12.223277 2.38114 1 216 1 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 0 8.633518 -15.837262 -0.3331145 1 217 1 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 0 8.681875 -16.90334 -1.324909 1 218 1 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 0 8.594427 -16.419403 -2.7624803 1 219 1 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 0 8.333964 -17.218712 -3.6644862 1 220 1 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 0 8.829218 -15.131264 -2.9829373 1 221 1 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 0 8.73164 -14.5592 -4.3238606 1 222 1 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 0 9.9190445 -15.021797 -5.1689854 1 223 1 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 0 11.068699 -14.97621 -4.724988 1 224 1 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 0 8.678139 -13.016799 -4.257409 1 225 1 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 0 8.611008 -12.4228735 -5.6605916 1 226 1 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 0 7.478484 -12.558203 -3.422286 1 227 1 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 0 9.641277 -15.468293 -6.396517 1 228 1 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 0 10.680649 -15.9504175 -7.2840967 1 229 1 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 0 11.558168 -14.84124 -7.843752 1 230 1 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 0 11.243053 -13.651569 -7.733382 1 231 1 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 0 12.669298 -15.233185 -8.448381 1 232 1 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 0 13.68898 -14.292452 -8.912331 1 233 1 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 0 13.123012 -13.226045 -9.8595915 1 234 1 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 0 13.3270855 -12.024049 -9.650532 1 235 1 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 0 14.819254 -15.051239 -9.600325 1 236 1 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 0 15.861776 -14.163675 -10.220478 1 237 1 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 0 15.773026 -13.794952 -11.553948 1 238 1 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 0 16.922318 -13.700663 -9.467636 1 239 1 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 0 16.735651 -12.976116 -12.121555 1 240 1 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 0 17.888557 -12.883488 -10.029791 1 241 1 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 0 17.794014 -12.51847 -11.35788 1 242 1 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 0 12.420539 -13.6544075 -10.913578 1 243 1 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 0 11.952388 -12.705872 -11.917127 1 244 1 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 0 10.985165 -11.68477 -11.318228 1 245 1 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 0 11.069567 -10.488609 -11.618124 1 246 1 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 0 11.290191 -13.447571 -13.07653 1 247 1 +ATOM N N . THR A0 1 33 . 33 THR A0 N 0 10.091028 -12.162622 -10.463677 1 248 1 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 0 9.133961 -11.249039 -9.840817 1 249 1 +ATOM C C . THR A0 1 33 . 33 THR A0 C 0 9.827929 -10.306362 -8.863888 1 250 1 +ATOM O O . THR A0 1 33 . 33 THR A0 O 0 9.46914 -9.126276 -8.770288 1 251 1 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 0 8.008995 -12.036125 -9.151295 1 252 1 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 0 7.3370457 -12.836168 -10.120777 1 253 1 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 0 7.0005627 -11.082758 -8.491197 1 254 1 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 0 10.837391 -10.801478 -8.114026 1 255 1 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 0 11.587208 -9.9057665 -7.229303 1 256 1 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 0 12.271866 -8.797007 -8.017687 1 257 1 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 0 12.26265 -7.6366906 -7.5897713 1 258 1 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 0 12.638906 -10.681738 -6.430915 1 259 1 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 0 12.082735 -11.583411 -5.3609295 1 260 1 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 0 13.12881 -11.919962 -4.3041573 1 261 1 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 0 14.415491 -12.358454 -4.8313084 1 262 1 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 0 14.688192 -13.607145 -5.224618 1 263 1 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 0 13.752085 -14.547304 -5.1736965 1 264 1 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 0 15.907862 -13.897842 -5.665474 1 265 1 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 0 12.903727 -9.157094 -9.149107 1 266 1 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 0 13.582824 -8.140009 -9.952095 1 267 1 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 0 12.587992 -7.1123514 -10.492355 1 268 1 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 0 12.834665 -5.9025927 -10.4269085 1 269 1 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 0 14.357105 -8.785183 -11.09681 1 270 1 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 0 15.500212 -9.678399 -10.639919 1 271 1 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 0 16.494375 -8.908339 -9.751219 1 272 1 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 0 17.586376 -9.828078 -9.268831 1 273 1 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 0 18.493465 -9.137887 -8.339798 1 274 1 +ATOM N N . MET A0 1 36 . 36 MET A0 N 0 11.449381 -7.5866647 -11.010242 1 275 1 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 0 10.430341 -6.682235 -11.52942 1 276 1 +ATOM C C . MET A0 1 36 . 36 MET A0 C 0 9.849294 -5.80241 -10.416529 1 277 1 +ATOM O O . MET A0 1 36 . 36 MET A0 O 0 9.688374 -4.586973 -10.594003 1 278 1 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 0 9.317476 -7.497611 -12.207324 1 279 1 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 0 8.180662 -6.6502895 -12.789418 1 280 1 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 0 7.0710135 -7.6230373 -13.81345 1 281 1 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 0 6.190583 -8.507378 -12.565052 1 282 1 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 0 9.546751 -6.4233103 -9.265489 1 283 1 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 0 8.998537 -5.6688294 -8.154291 1 284 1 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 0 9.987527 -4.682208 -7.5691314 1 285 1 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 0 9.619395 -3.569562 -7.186812 1 286 1 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 0 11.261333 -5.066986 -7.4991007 1 287 1 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 0 12.273783 -4.1969194 -6.9266233 1 288 1 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 0 12.546213 -2.952498 -7.7513056 1 289 1 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 0 12.901373 -1.9036269 -7.2027607 1 290 1 +ATOM N N . MET A0 1 39 . 39 MET A0 N 0 12.402539 -3.0666964 -9.060383 1 291 1 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 0 12.650574 -1.9231699 -9.9454 1 292 1 +ATOM C C . MET A0 1 39 . 39 MET A0 C 0 11.524402 -0.9003006 -9.910377 1 293 1 +ATOM O O . MET A0 1 39 . 39 MET A0 O 0 11.753109 0.27465093 -10.223816 1 294 1 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 0 12.82712 -2.3954582 -11.39091 1 295 1 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 0 14.089228 -3.1692498 -11.661057 1 296 1 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 0 14.156538 -3.7284756 -13.367481 1 297 1 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 0 14.231887 -2.154018 -14.227901 1 298 1 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 0 10.334395 -1.3360463 -9.564625 1 299 1 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 0 9.173068 -0.46185037 -9.661451 1 300 1 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 0 9.236204 0.6811404 -8.646502 1 301 1 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 0 9.703869 0.516449 -7.517343 1 302 1 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 0 7.8903008 -1.2634099 -9.466999 1 303 1 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 0 8.769115 1.8368104 -9.06225 1 304 1 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 0 8.588175 3.0006537 -8.185362 1 305 1 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 0 7.096036 3.3320947 -8.198966 1 306 1 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 0 6.64505 4.2032237 -8.930372 1 307 1 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 0 9.421902 4.1801195 -8.684471 1 308 1 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 0 10.91414 3.9733472 -8.563721 1 309 1 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 0 11.355805 4.0061865 -7.1174107 1 310 1 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 0 12.865865 3.866811 -6.9780335 1 311 1 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 0 13.57968 5.0557747 -7.5194564 1 312 1 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 0 6.3202877 2.6071696 -7.3782167 1 313 1 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 0 4.866149 2.7301383 -7.4987736 1 314 1 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 0 4.328165 4.0849476 -7.068329 1 315 1 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 0 4.9237804 4.7816114 -6.243888 1 316 1 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 0 4.331261 1.6285944 -6.5638695 1 317 1 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 0 5.4782887 0.7040365 -6.32704 1 318 1 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 0 6.7062445 1.5638459 -6.4096675 1 319 1 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 0 3.1878328 4.4234443 -7.620579 1 320 1 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 0 2.343958 5.5088167 -7.1512375 1 321 1 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 0 1.2413757 4.8921933 -6.3040423 1 322 1 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 0 0.64013934 3.8904161 -6.698411 1 323 1 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 0 1.7533429 6.2600226 -8.334577 1 324 1 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 0 0.80236256 7.362891 -7.92762 1 325 1 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 0 -0.4116889 7.2042274 -7.9928246 1 326 1 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 0 1.3774512 8.486065 -7.538184 1 327 1 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 0 0.99796534 5.472599 -5.119437 1 328 1 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 0 -0.015138754 4.9493027 -4.2109237 1 329 1 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 0 -1.0764437 6.015465 -3.9819033 1 330 1 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 0 -0.75561893 7.1271486 -3.5526524 1 331 1 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 0 0.6411967 4.549238 -2.8868616 1 332 1 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 0 -0.5107362 3.9604514 -1.6505206 1 333 1 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 0 -2.3266234 5.6740727 -4.261975 1 334 1 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 0 -3.4455464 6.591289 -4.0546827 1 335 1 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 0 -4.3273983 6.0304456 -2.9516764 1 336 1 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 0 -4.790788 4.8897047 -3.0435097 1 337 1 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 0 -4.274212 6.777644 -5.3374557 1 338 1 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 0 -3.3775067 7.253193 -6.490012 1 339 1 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 0 -5.4007025 7.7785606 -5.1043005 1 340 1 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 0 -3.0813031 6.1569905 -7.4882784 1 341 1 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 0 -4.5536304 6.8435307 -1.9024773 1 342 1 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 0 -5.391907 6.4226046 -0.78766286 1 343 1 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 0 -6.5913453 7.3572865 -0.7041098 1 344 1 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 0 -6.4227295 8.585659 -0.71104693 1 345 1 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 0 -4.608998 6.4230165 0.5415275 1 346 1 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 0 -3.4221158 5.460205 0.449741 1 347 1 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 0 -5.5271816 6.0465617 1.703891 1 348 1 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 0 -2.543375 5.4268565 1.689811 1 349 1 +ATOM N N . SER A0 1 47 . 47 SER A0 N 0 -7.7758975 6.7848177 -0.61825025 1 350 1 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 0 -8.999615 7.573913 -0.53279966 1 351 1 +ATOM C C . SER A0 1 47 . 47 SER A0 C 0 -9.971999 6.9253035 0.4367642 1 352 1 +ATOM O O . SER A0 1 47 . 47 SER A0 O 0 -9.841398 5.750198 0.7851851 1 353 1 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 0 -9.642539 7.744136 -1.9188992 1 354 1 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 0 -9.941628 6.488119 -2.4988227 1 355 1 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 0 -10.941332 7.7031302 0.8824258 1 356 1 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 0 -11.964567 7.230503 1.8081672 1 357 1 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 0 -13.333727 7.6828284 1.3190675 1 358 1 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 0 -13.498432 8.835161 0.8966697 1 359 1 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 0 -11.720729 7.755377 3.2401733 1 360 1 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 0 -12.82369 7.2842712 4.176745 1 361 1 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 0 -10.364151 7.3179984 3.748033 1 362 1 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 0 -14.294347 6.7893662 1.377497 1 363 1 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 0 -15.688929 7.0956163 1.0817126 1 364 1 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 0 -16.522709 6.412572 2.1530352 1 365 1 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 0 -16.668852 5.194125 2.139966 1 366 1 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 0 -16.058825 6.596649 -0.31328025 1 367 1 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 0 -17.405714 7.0891275 -0.780612 1 368 1 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 0 -18.419552 6.829213 -0.14665535 1 369 1 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 0 -17.403835 7.7839212 -1.9235331 1 370 1 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 0 -17.054428 7.2050138 3.0982146 1 371 1 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 0 -17.762135 6.6142416 4.220181 1 372 1 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 0 -16.83693 5.7424154 5.0410376 1 373 1 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 0 -15.776175 6.1968923 5.4780216 1 374 1 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 0 -17.21162 4.4886317 5.2184954 1 375 1 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 0 -16.408165 3.533743 5.974675 1 376 1 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 0 -15.370413 2.8203492 5.1152954 1 377 1 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 0 -14.538027 2.0885415 5.646947 1 378 1 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 0 -17.303963 2.476112 6.618968 1 379 1 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 0 -18.236343 3.0386176 7.6643114 1 380 1 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 0 -17.801538 3.913663 8.437462 1 381 1 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 0 -19.399664 2.5929618 7.719165 1 382 1 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 0 -15.405291 3.0216107 3.7900643 1 383 1 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 0 -14.577993 2.2493033 2.87324 1 384 1 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 0 -13.30366 3.010122 2.538066 1 385 1 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 0 -13.352199 4.117473 1.992485 1 386 1 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 0 -15.339939 1.9080639 1.5790598 1 387 1 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 0 -14.453418 1.1254251 0.6285028 1 388 1 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 0 -16.603127 1.1249303 1.9053539 1 389 1 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 0 -12.17718 2.3981082 2.879259 1 390 1 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 0 -10.864449 2.92699 2.5307798 1 391 1 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 0 -10.377259 2.1834903 1.2928408 1 392 1 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 0 -10.4863205 0.95711267 1.2181754 1 393 1 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 0 -9.867737 2.7414656 3.6897464 1 394 1 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 0 -10.395468 3.402709 4.9598923 1 395 1 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 0 -8.497389 3.2995608 3.3099036 1 396 1 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 0 -9.630211 3.0089505 6.2222633 1 397 1 +ATOM N N . THR A0 1 54 . 54 THR A0 N 0 -9.830157 2.9219556 0.32688606 1 398 1 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 0 -9.274061 2.3158894 -0.8767191 1 399 1 +ATOM C C . THR A0 1 54 . 54 THR A0 C 0 -7.7996283 2.6784377 -0.99128306 1 400 1 +ATOM O O . THR A0 1 54 . 54 THR A0 O 0 -7.424837 3.8440926 -0.82025295 1 401 1 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 0 -10.027075 2.7820234 -2.1364555 1 402 1 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 0 -11.395689 2.375333 -2.0439124 1 403 1 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 0 -9.411718 2.1747732 -3.3963976 1 404 1 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 0 -6.965649 1.6662408 -1.246977 1 405 1 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 0 -5.5556474 1.8883591 -1.5340036 1 406 1 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 0 -5.2725916 1.3044097 -2.9089532 1 407 1 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 0 -5.4456487 0.10058403 -3.1285248 1 408 1 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 0 -4.629347 1.2391453 -0.4873187 1 409 1 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 0 -4.9708385 1.7311177 0.9237277 1 410 1 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 0 -3.1620336 1.5510619 -0.8138977 1 411 1 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 0 -4.1428547 1.0919554 2.029411 1 412 1 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 0 -4.879087 2.1725783 -3.8266666 1 413 1 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 0 -4.557622 1.7644413 -5.1892705 1 414 1 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 0 -3.074434 1.983815 -5.430772 1 415 1 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 0 -2.5431886 3.0542583 -5.099085 1 416 1 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 0 -5.3817625 2.5597594 -6.205167 1 417 1 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 0 -5.1044283 2.183672 -7.6543694 1 418 1 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 0 -6.1413937 2.7665462 -8.603194 1 419 1 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 0 -5.9802594 4.2650146 -8.783569 1 420 1 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 0 -6.917472 4.7849865 -9.823248 1 421 1 +ATOM N N . THR A0 1 57 . 57 THR A0 N 0 -2.4127836 0.9904877 -5.9620695 1 422 1 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 0 -1.002558 1.0964229 -6.29852 1 423 1 +ATOM C C . THR A0 1 57 . 57 THR A0 C 0 -0.82778573 0.91162896 -7.798728 1 424 1 +ATOM O O . THR A0 1 57 . 57 THR A0 O 0 -1.3446989 -0.050300762 -8.375601 1 425 1 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 0 -0.16055016 0.060308117 -5.5365105 1 426 1 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 0 -0.29581547 0.27263528 -4.1365023 1 427 1 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 0 1.3105519 0.17398494 -5.9250145 1 428 1 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 0 -0.13950327 1.8412074 -8.420184 1 429 1 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 0 0.10788838 1.7919147 -9.852678 1 430 1 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 0 1.6043237 1.8383636 -10.126727 1 431 1 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 0 2.3229856 2.6432428 -9.529274 1 432 1 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 0 -0.58594143 2.951343 -10.564704 1 433 1 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 0 -2.0989132 2.8928704 -10.455168 1 434 1 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 0 -2.786963 4.007242 -11.222488 1 435 1 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 0 -3.9984505 3.8737674 -11.504025 1 436 1 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 0 -2.1202807 5.018628 -11.538954 1 437 1 +ATOM N N . SER A0 1 59 . 59 SER A0 N 0 2.0704525 0.98933685 -10.98914 1 438 1 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 0 3.4589233 0.9918515 -11.4269 1 439 1 +ATOM C C . SER A0 1 59 . 59 SER A0 C 0 3.5065422 0.6034014 -12.895872 1 440 1 +ATOM O O . SER A0 1 59 . 59 SER A0 O 0 2.500866 0.18100092 -13.472113 1 441 1 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 0 4.308093 0.03412526 -10.592199 1 442 1 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 0 4.1155157 -1.3132467 -10.997221 1 443 1 +ATOM N N . THR A0 1 60 . 60 THR A0 N 0 4.6636105 0.72743815 -13.475732 1 444 1 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 0 4.8170214 0.37300748 -14.879883 1 445 1 +ATOM C C . THR A0 1 60 . 60 THR A0 C 0 4.5576916 -1.1084609 -15.125536 1 446 1 +ATOM O O . THR A0 1 60 . 60 THR A0 O 0 4.1341543 -1.4947863 -16.220581 1 447 1 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 0 6.2239614 0.7431744 -15.379549 1 448 1 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 0 7.2033634 0.16609523 -14.511725 1 449 1 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 0 6.4118557 2.2525668 -15.39896 1 450 1 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 0 4.7882905 -1.9296663 -14.105215 1 451 1 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 0 4.7149944 -3.3762372 -14.312092 1 452 1 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 0 3.4970715 -4.048223 -13.679113 1 453 1 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 0 3.1116023 -5.134263 -14.127821 1 454 1 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 0 5.998197 -4.0331826 -13.793703 1 455 1 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 0 7.29083 -3.5273466 -14.466033 1 456 1 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 0 8.513119 -4.1982775 -13.8601675 1 457 1 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 0 7.2498302 -3.7703505 -15.975664 1 458 1 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 0 2.8931344 -3.4216678 -12.652355 1 459 1 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 0 1.7726517 -4.0669417 -11.978182 1 460 1 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 0 0.8979567 -3.053715 -11.272789 1 461 1 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 0 1.4061681 -2.1333613 -10.614477 1 462 1 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 0 2.2811732 -5.1004 -10.971824 1 463 1 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 0 1.2256615 -6.058445 -10.453734 1 464 1 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 0 0.8210521 -7.068774 -11.507029 1 465 1 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 0 -0.009427423 -8.187082 -10.902075 1 466 1 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 0 -0.41774574 -9.157246 -11.942356 1 467 1 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 0 -0.41311565 -3.220183 -11.38745 1 468 1 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 0 -1.38501 -2.403627 -10.66666 1 469 1 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 0 -2.169376 -3.2887282 -9.711614 1 470 1 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 0 -2.5531542 -4.40483 -10.069746 1 471 1 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 0 -2.360165 -1.7217917 -11.620996 1 472 1 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 0 -1.6703796 -0.80073303 -12.599321 1 473 1 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 0 -0.6519472 -0.19532144 -12.288824 1 474 1 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 0 -2.2416768 -0.6790078 -13.784464 1 475 1 +ATOM N N . THR A0 1 64 . 64 THR A0 N 0 -2.4034731 -2.7956624 -8.500776 1 476 1 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 0 -3.259642 -3.47924 -7.538966 1 477 1 +ATOM C C . THR A0 1 64 . 64 THR A0 C 0 -4.1881976 -2.471332 -6.886942 1 478 1 +ATOM O O . THR A0 1 64 . 64 THR A0 O 0 -3.9177313 -1.2688513 -6.8745527 1 479 1 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 0 -2.455178 -4.2137194 -6.4422064 1 480 1 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 0 -1.64397 -3.2807395 -5.744855 1 481 1 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 0 -1.5863231 -5.3017807 -7.052458 1 482 1 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 0 -5.295742 -2.978431 -6.3423004 1 483 1 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 0 -6.2298884 -2.1215093 -5.62786 1 484 1 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 0 -6.958484 -2.9379244 -4.578965 1 485 1 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 0 -7.397258 -4.06041 -4.856661 1 486 1 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 0 -7.2431307 -1.4968956 -6.588335 1 487 1 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 0 -8.252428 -0.5893153 -5.8967276 1 488 1 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 0 -9.197407 0.07790212 -6.882352 1 489 1 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 0 -8.86154 0.17898002 -8.079386 1 490 1 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 0 -10.297209 0.5070235 -6.446155 1 491 1 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 0 -7.0790915 -2.3720303 -3.372582 1 492 1 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 0 -7.907984 -2.9719138 -2.3402872 1 493 1 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 0 -8.857723 -1.9264736 -1.7860107 1 494 1 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 0 -8.5168915 -0.747598 -1.6789722 1 495 1 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 0 -7.0864744 -3.6028063 -1.1884174 1 496 1 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 0 -6.1697865 -2.5679207 -0.53059316 1 497 1 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 0 -6.3275423 -4.8203974 -1.6828511 1 498 1 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 0 -5.482456 -3.0672867 0.7507056 1 499 1 +ATOM N N . SER A0 1 67 . 67 SER A0 N 0 -10.073084 -2.353301 -1.4631181 1 500 1 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 0 -11.035715 -1.5352349 -0.73686385 1 501 1 +ATOM C C . SER A0 1 67 . 67 SER A0 C 0 -11.506187 -2.3451672 0.45602638 1 502 1 +ATOM O O . SER A0 1 67 . 67 SER A0 O 0 -11.77651 -3.545282 0.33471185 1 503 1 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 0 -12.226003 -1.1501726 -1.6184108 1 504 1 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 0 -11.847714 -0.21098694 -2.6053395 1 505 1 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 0 -11.625455 -1.7031685 1.603117 1 506 1 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 0 -11.894385 -2.4470568 2.82557 1 507 1 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 0 -12.510231 -1.5478246 3.8860354 1 508 1 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 0 -12.475569 -0.3155515 3.7864394 1 509 1 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 0 -10.592667 -3.0674675 3.3644319 1 510 1 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 0 -9.513462 -2.0518064 3.6085725 1 511 1 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 0 -8.647535 -1.6895139 2.5807505 1 512 1 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 0 -9.366217 -1.4438832 4.8376365 1 513 1 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 0 -7.661942 -0.7307043 2.792698 1 514 1 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 0 -8.38534 -0.49211907 5.052559 1 515 1 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 0 -7.533123 -0.13988973 4.024583 1 516 1 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 0 -13.062994 -2.1850064 4.882218 1 517 1 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 0 -13.562582 -1.5355742 6.0868816 1 518 1 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 0 -12.68184 -1.9942629 7.2429237 1 519 1 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 0 -12.336063 -3.170206 7.3361664 1 520 1 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 0 -15.041264 -1.896458 6.3388443 1 521 1 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 0 -15.919405 -1.3425325 5.211382 1 522 1 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 0 -15.514822 -1.3786986 7.6964827 1 523 1 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 0 -17.343628 -1.8705451 5.221572 1 524 1 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 0 -12.296612 -1.0661067 8.108995 1 525 1 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 0 -11.413453 -1.4092844 9.2175865 1 526 1 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 0 -11.982822 -2.5660114 10.038637 1 527 1 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 0 -13.1603775 -2.5671742 10.396666 1 528 1 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 0 -11.185883 -0.19270515 10.122381 1 529 1 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 0 -10.405802 0.96241087 9.507853 1 530 1 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 0 -10.410786 2.152941 10.457427 1 531 1 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 0 -8.978227 0.5448434 9.172939 1 532 1 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 0 -11.123688 -3.5366845 10.311159 1 533 1 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 0 -11.482276 -4.683116 11.128931 1 534 1 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 0 -12.22471 -5.7858853 10.407284 1 535 1 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 0 -12.491374 -6.828485 11.013978 1 536 1 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 0 -12.542671 -5.5869503 9.115659 1 537 1 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 0 -13.329126 -6.5559855 8.365971 1 538 1 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 0 -12.431387 -7.2905293 7.3713512 1 539 1 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 0 -11.84734 -6.677215 6.4760456 1 540 1 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 0 -14.476551 -5.857845 7.636469 1 541 1 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 0 -15.329098 -4.9722624 8.543311 1 542 1 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 0 -16.065125 -5.7594595 9.611719 1 543 1 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 0 -16.629116 -6.815984 9.335604 1 544 1 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 0 -16.052883 -5.2577214 10.835924 1 545 1 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 0 -12.331869 -8.611797 7.5215483 1 546 1 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 0 -11.455122 -9.417028 6.6766343 1 547 1 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 0 -11.933184 -9.411871 5.2297115 1 548 1 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 0 -13.135949 -9.458884 4.9589434 1 549 1 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 0 -11.3896475 -10.847162 7.2079134 1 550 1 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 0 -10.369774 -11.728941 6.517543 1 551 1 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 0 -10.250126 -13.089039 7.173778 1 552 1 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 0 -9.174784 -13.400101 7.728915 1 553 1 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 0 -11.252683 -13.837519 7.142644 1 554 1 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 0 -10.971638 -9.368938 4.2780533 1 555 1 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 0 -11.304167 -9.381055 2.857732 1 556 1 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 0 -10.294025 -10.214639 2.0822544 1 557 1 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 0 -9.198191 -10.487849 2.568827 1 558 1 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 0 -11.381227 -7.952241 2.2904937 1 559 1 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 0 -10.092613 -7.17313 2.4092689 1 560 1 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 0 -9.784503 -6.5025992 3.5872095 1 561 1 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 0 -9.204113 -7.0963984 1.3474429 1 562 1 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 0 -8.602339 -5.772844 3.7009993 1 563 1 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 0 -8.031218 -6.369527 1.4598904 1 564 1 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 0 -7.7310324 -5.70829 2.6375656 1 565 1 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 0 -10.687316 -10.605153 0.87401664 1 566 1 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 0 -9.805962 -11.358986 -0.0113370605 1 567 1 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 0 -8.9245205 -10.4002075 -0.796474 1 568 1 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 0 -9.397261 -9.386845 -1.322433 1 569 1 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 0 -10.616156 -12.205475 -0.9949912 1 570 1 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 0 -11.45587 -13.263088 -0.3089976 1 571 1 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 0 -10.906219 -14.018882 0.51826954 1 572 1 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 0 -12.664032 -13.340649 -0.6166886 1 573 1 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 0 -7.633913 -10.738506 -0.8870183 1 574 1 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 0 -6.6881943 -9.918788 -1.6283627 1 575 1 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 0 -5.8347435 -10.8109665 -2.5075552 1 576 1 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 0 -5.3487253 -11.843576 -2.0504975 1 577 1 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 0 -5.796933 -9.1302 -0.6589871 1 578 1 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 0 -4.723132 -8.28619 -1.3442988 1 579 1 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 0 -3.8151467 -7.563036 -0.37375873 1 580 1 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 0 -3.9456432 -7.783885 0.85903615 1 581 1 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 0 -2.9524548 -6.7748237 -0.8235123 1 582 1 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 0 -5.644876 -10.425127 -3.7638288 1 583 1 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 0 -4.6314487 -11.028489 -4.626787 1 584 1 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 0 -3.4807484 -10.037739 -4.7067394 1 585 1 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 0 -3.651847 -8.913075 -5.1769056 1 586 1 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 0 -5.180293 -11.344072 -6.0337214 1 587 1 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 0 -6.3451347 -12.313314 -5.946281 1 588 1 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 0 -4.060131 -11.929968 -6.8973904 1 589 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 -2.3134537 -10.460315 -4.211591 1 590 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 -1.1698521 -9.558169 -4.1109796 1 591 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 -0.462039 -9.40027 -5.460081 1 592 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 -0.73393637 -10.137447 -6.4127045 1 593 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 -0.1642417 -10.061863 -3.0658445 1 594 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 0.37831756 -11.307463 -3.506952 1 595 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -0.8428289 -10.248403 -1.7065508 1 596 1 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 0 0.46267208 -8.435623 -5.5212555 1 597 1 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 0 1.1967256 -8.194758 -6.7595234 1 598 1 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 0 1.9928036 -9.421976 -7.1960363 1 599 1 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 0 2.2118254 -9.621784 -8.396321 1 600 1 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 0 2.1219661 -6.9894648 -6.6023607 1 601 1 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 0 2.4313765 -10.237394 -6.2388277 1 602 1 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 0 3.1491342 -11.470716 -6.537696 1 603 1 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 0 2.2235398 -12.682375 -6.6127176 1 604 1 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 0 2.6890452 -13.82879 -6.5611143 1 605 1 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 0 4.2647533 -11.722675 -5.5062037 1 606 1 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 0 3.7612913 -11.826435 -4.0815563 1 607 1 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 0 3.000638 -10.921458 -3.6474738 1 608 1 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 0 4.1488953 -12.792484 -3.3760412 1 609 1 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 0 0.9246589 -12.432316 -6.732551 1 610 1 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 0 -0.09070817 -13.449654 -6.9994497 1 611 1 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 0 -0.34597194 -14.4112835 -5.8369246 1 612 1 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 0 -0.7897303 -15.542911 -6.054491 1 613 1 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 0 0.24894819 -14.23313 -8.27656 1 614 1 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 0 0.26422876 -13.349548 -9.505211 1 615 1 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 0 -0.6759975 -12.540445 -9.671323 1 616 1 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 0 1.2134261 -13.453186 -10.304427 1 617 1 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 0 -0.08443629 -13.979973 -4.6031585 1 618 1 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 0 -0.58062017 -14.723975 -3.4614434 1 619 1 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 0 -2.0520897 -14.399657 -3.2682924 1 620 1 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 0 -2.4752276 -13.244967 -3.418765 1 621 1 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 0 0.17868042 -14.368982 -2.174323 1 622 1 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 0 1.5935497 -14.878677 -2.0777738 1 623 1 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 0 2.2972746 -14.251604 -0.8681332 1 624 1 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 0 2.5951762 -12.842967 -1.1461532 1 625 1 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 0 2.387769 -11.835097 -0.30130714 1 626 1 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 0 1.901666 -12.069479 0.90562934 1 627 1 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 0 2.6840944 -10.59226 -0.6783011 1 628 1 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 0 -2.801815 -15.413824 -2.9184606 1 629 1 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 0 -4.1916795 -15.219216 -2.521978 1 630 1 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 0 -4.2309833 -15.229096 -1.0026629 1 631 1 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 0 -4.0002346 -16.267635 -0.37718904 1 632 1 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 0 -5.077855 -16.325397 -3.0980968 1 633 1 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 0 -5.059969 -16.39665 -4.6150956 1 634 1 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 0 -5.861162 -17.599705 -5.115033 1 635 1 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 0 -5.791375 -17.699808 -6.637867 1 636 1 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 0 -6.5767555 -18.867258 -7.142608 1 637 1 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 0 -4.494971 -14.066517 -0.41594827 1 638 1 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 0 -4.417486 -13.934351 1.0355847 1 639 1 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 0 -5.7380114 -13.439537 1.6122639 1 640 1 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 0 -6.5702934 -12.8627405 0.9171719 1 641 1 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 0 -3.273409 -12.977584 1.4652011 1 642 1 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 0 -1.951955 -13.392862 0.81738794 1 643 1 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 0 -3.6156955 -11.528578 1.108664 1 644 1 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 0 -5.906366 -13.702945 2.8915877 1 645 1 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 0 -6.9621367 -13.066369 3.673646 1 646 1 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 0 -6.3315516 -11.898454 4.4078417 1 647 1 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 0 -5.3696795 -12.0779295 5.1592703 1 648 1 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 0 -7.5698786 -14.039769 4.682721 1 649 1 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 0 -8.255428 -15.248337 4.074918 1 650 1 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 0 -9.562256 -14.870413 3.403429 1 651 1 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 0 -10.323776 -16.113161 2.9519074 1 652 1 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 0 -11.590878 -15.744039 2.2993624 1 653 1 +ATOM N N . SER A0 1 86 . 86 SER A0 N 0 -6.834898 -10.690028 4.1865673 1 654 1 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 0 -6.279655 -9.489659 4.7941456 1 655 1 +ATOM C C . SER A0 1 86 . 86 SER A0 C 0 -7.263373 -8.862905 5.7763367 1 656 1 +ATOM O O . SER A0 1 86 . 86 SER A0 O 0 -8.473871 -8.853422 5.532715 1 657 1 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 0 -5.9202175 -8.44994 3.7234442 1 658 1 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 0 -4.7577376 -8.825666 3.0057945 1 659 1 +ATOM N N . THR A0 1 87 . 87 THR A0 N 0 -6.7353454 -8.360819 6.865635 1 660 1 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 0 -7.503957 -7.542474 7.795577 1 661 1 +ATOM C C . THR A0 1 87 . 87 THR A0 C 0 -6.678131 -6.305067 8.115563 1 662 1 +ATOM O O . THR A0 1 87 . 87 THR A0 O 0 -5.490344 -6.422964 8.420565 1 663 1 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 0 -7.8388987 -8.293173 9.094718 1 664 1 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 0 -8.438121 -9.55451 8.790361 1 665 1 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 0 -8.811949 -7.4800057 9.947056 1 666 1 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 0 -7.302931 -5.138012 8.037604 1 667 1 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 0 -6.613915 -3.8833942 8.319622 1 668 1 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 0 -7.3441668 -3.1711059 9.449202 1 669 1 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 0 -8.569661 -3.0336516 9.41282 1 670 1 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 0 -6.526866 -2.9833791 7.065653 1 671 1 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 0 -5.8491654 -3.751553 5.925226 1 672 1 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 0 -5.768653 -1.7004929 7.384533 1 673 1 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 0 -5.720483 -2.9685433 4.6252346 1 674 1 +ATOM N N . THR A0 1 89 . 89 THR A0 N 0 -6.5764236 -2.7419767 10.443777 1 675 1 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 0 -7.110129 -2.0546613 11.612467 1 676 1 +ATOM C C . THR A0 1 89 . 89 THR A0 C 0 -6.328916 -0.77087957 11.854337 1 677 1 +ATOM O O . THR A0 1 89 . 89 THR A0 O 0 -5.270488 -0.54623973 11.254467 1 678 1 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 0 -7.0322704 -2.9443135 12.870812 1 679 1 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 0 -5.6837826 -3.3665133 13.055925 1 680 1 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 0 -7.9272976 -4.166155 12.722142 1 681 1 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 0 -6.8507576 0.0808159 12.726472 1 682 1 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 0 -6.122821 1.243833 13.207718 1 683 1 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 0 -5.6039753 0.9614829 14.608723 1 684 1 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 0 -6.3789763 0.57954866 15.491036 1 685 1 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 0 -7.020015 2.47946 13.256265 1 686 1 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 0 -7.029543 3.4294043 12.075384 1 687 1 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 0 -7.9852595 4.567175 12.357268 1 688 1 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 0 -5.6383715 3.9640524 11.777005 1 689 1 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 0 -4.299239 1.1357235 14.803925 1 690 1 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 0 -3.6491637 0.9563963 16.100965 1 691 1 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 0 -2.836893 2.214939 16.397266 1 692 1 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 0 -1.7445796 2.400301 15.8653755 1 693 1 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 0 -2.7471957 -0.2831387 16.069592 1 694 1 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 0 -1.9572979 -0.45728076 17.356255 1 695 1 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 0 -2.4114976 0.046587802 18.407297 1 696 1 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 0 -0.8799352 -1.0964715 17.312511 1 697 1 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 0 -3.4009786 3.0988426 17.228842 1 698 1 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 0 -2.6973157 4.3220024 17.578728 1 699 1 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 0 -2.3297005 5.1669116 16.37407 1 700 1 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 0 -1.2163161 5.694976 16.306982 1 701 1 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 0 -3.2323904 5.3264623 15.442074 1 702 1 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 0 -3.0109305 6.1376314 14.258251 1 703 1 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 0 -2.2658095 5.4409294 13.137768 1 704 1 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 0 -2.0340838 6.0563745 12.089263 1 705 1 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 0 -1.8783944 4.1884494 13.335553 1 706 1 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 0 -1.153503 3.417793 12.333102 1 707 1 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 0 -2.0997925 2.4026468 11.699333 1 708 1 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 0 -2.777049 1.6532338 12.412865 1 709 1 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 0 0.057298202 2.690967 12.958454 1 710 1 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 0 0.79144776 1.8647803 11.9087515 1 711 1 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 0 1.0049689 3.6985707 13.611774 1 712 1 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 0 -2.1428993 2.3767734 10.36854 1 713 1 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 0 -2.8985586 1.3510108 9.664669 1 714 1 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 0 -2.0931468 0.053059172 9.679079 1 715 1 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 0 -0.9683865 0.018340569 9.179571 1 716 1 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 0 -3.17275 1.774971 8.220369 1 717 1 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 0 -4.2662287 2.8062513 8.002068 1 718 1 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 0 -4.227791 3.3177366 6.563978 1 719 1 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 0 -5.636921 2.192796 8.293997 1 720 1 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 0 -2.66678 -0.97466546 10.2697525 1 721 1 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 0 -1.9752697 -2.252619 10.429987 1 722 1 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 0 -2.698402 -3.3142517 9.615408 1 723 1 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 0 -3.862606 -3.6322947 9.886768 1 724 1 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 0 -1.9130509 -2.6715875 11.909517 1 725 1 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 0 -1.1940459 -4.0075607 12.044864 1 726 1 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 0 -1.2216988 -1.5920264 12.738409 1 727 1 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 0 -1.9950193 -3.864571 8.62409 1 728 1 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 0 -2.5455694 -4.892024 7.753054 1 729 1 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 0 -1.8827101 -6.2268853 8.042739 1 730 1 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 0 -0.6577604 -6.325009 8.037732 1 731 1 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 0 -2.3248692 -4.516241 6.288253 1 732 1 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 0 -2.7775943 -5.578509 5.296781 1 733 1 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 0 -2.4632437 -5.2056274 3.869573 1 734 1 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 0 -1.7059274 -4.2692804 3.6011977 1 735 1 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 0 -3.0376763 -5.9409046 2.918498 1 736 1 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 0 -2.6871433 -7.2261305 8.308885 1 737 1 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 0 -2.19095 -8.592173 8.4496975 1 738 1 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 0 -2.7160227 -9.41255 7.2827835 1 739 1 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 0 -3.925145 -9.434275 7.0228357 1 740 1 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 0 -2.6281474 -9.223523 9.789619 1 741 1 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 0 -2.081292 -10.646423 9.897959 1 742 1 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 0 -2.1401236 -8.371908 10.953828 1 743 1 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 0 -1.7927577 -10.05841 6.5630646 1 744 1 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 0 -2.1391873 -10.972731 5.484761 1 745 1 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 0 -1.8924708 -12.399303 5.9506884 1 746 1 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 0 -0.8372702 -12.68614 6.5170474 1 747 1 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 0 -1.2913382 -10.715023 4.235656 1 748 1 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 0 -1.5085565 -9.355377 3.6001766 1 749 1 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 0 -0.5628018 -9.1215925 2.4379947 1 750 1 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 0 0.4955204 -9.741858 2.3384492 1 751 1 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 0 -0.9290746 -8.199576 1.5423694 1 752 1 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 0 -2.8369565 -13.280151 5.7072945 1 753 1 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 0 -2.7006192 -14.685587 6.0666604 1 754 1 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 0 -2.919197 -15.554928 4.8344088 1 755 1 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 0 -3.872285 -15.338394 4.08419 1 756 1 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 0 -3.7023172 -15.077889 7.1657696 1 757 1 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 0 -3.5203705 -14.334304 8.473974 1 758 1 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 0 -4.531332 -14.818409 9.509028 1 759 1 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 0 -4.343552 -14.095103 10.835201 1 760 1 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 0 -5.345055 -14.534789 11.845425 1 761 1 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 0 -2.0325928 -16.52177 4.650007 1 762 1 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 0 -2.1739354 -17.468344 3.5505087 1 763 1 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 0 -1.3367734 -18.716019 3.845848 1 764 1 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 0 -0.2266767 -18.630413 4.3684826 1 765 1 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 0 -1.7461395 -16.83342 2.2224066 1 766 1 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 0 -0.25209647 -16.731133 2.0328588 1 767 1 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 0 0.5186596 -17.54301 1.2288293 1 768 1 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 0 0.6579045 -15.834735 2.6575246 1 769 1 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 0 1.8386564 -17.16999 1.3199863 1 770 1 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 0 1.9429784 -16.11771 2.1931317 1 771 1 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 0 0.48185712 -14.778453 3.5816562 1 772 1 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 0 3.0736272 -15.412098 2.6090164 1 773 1 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 0 1.6115105 -14.076235 3.9848077 1 774 1 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 0 2.8733819 -14.392054 3.5060444 1 775 1 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 0 -1.8507688 -19.867065 3.5176053 1 776 1 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 0 -1.1289448 -21.136316 3.5918684 1 777 1 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 0 -0.3767914 -21.302147 4.919533 1 778 1 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 0 0.77503014 -21.762302 4.949085 1 779 1 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 0 -0.16518566 -21.257912 2.4039245 1 780 1 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 0 0.3569679 -22.674488 2.2185311 1 781 1 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 0 -0.37460533 -23.637638 2.5881307 1 782 1 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 0 1.4817836 -22.85554 1.7026601 1 783 1 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 0 -0.99115384 -20.950907 6.025796 1 784 1 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 0 -0.39341766 -21.087994 7.342402 1 785 1 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 0 0.67067486 -20.067657 7.663753 1 786 1 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 0 1.3255064 -20.18591 8.707497 1 787 1 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 0 0.8664396 -19.079058 6.7916794 1 788 1 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 0 1.8571723 -18.021946 7.0005436 1 789 1 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 0 1.1548994 -16.694332 7.2378645 1 790 1 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 0 -0.04594779 -16.557299 6.986185 1 791 1 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 0 2.7813535 -17.902208 5.7724295 1 792 1 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 0 3.4304466 -19.1966 5.3306026 1 793 1 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 0 4.11845 -19.015491 3.9837213 1 794 1 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 0 4.533307 -20.352642 3.3815224 1 795 1 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 0 5.10331 -20.16238 2.023251 1 796 1 +ATOM N N . SER A0 1 105 . 105 SER A0 N 0 1.9211552 -15.712366 7.7183313 1 797 1 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 0 1.3628342 -14.376714 7.840765 1 798 1 +ATOM C C . SER A0 1 105 . 105 SER A0 C 0 2.4594939 -13.333839 7.7062798 1 799 1 +ATOM O O . SER A0 1 105 . 105 SER A0 O 0 3.636016 -13.6020565 7.977339 1 800 1 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 0 0.61071646 -14.195229 9.165533 1 801 1 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 0 1.4847138 -13.991787 10.245633 1 802 1 +ATOM N N . THR A0 1 106 . 106 THR A0 N 0 2.0720356 -12.160809 7.2662587 1 803 1 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 0 2.9733052 -11.016506 7.190465 1 804 1 +ATOM C C . THR A0 1 106 . 106 THR A0 C 0 2.1923604 -9.783025 7.612245 1 805 1 +ATOM O O . THR A0 1 106 . 106 THR A0 O 0 0.96689075 -9.721144 7.4302497 1 806 1 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 0 3.567321 -10.838505 5.7666464 1 807 1 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 0 4.5432777 -9.792911 5.770997 1 808 1 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 0 2.477208 -10.5059 4.7441745 1 809 1 +ATOM N N . THR A0 1 107 . 107 THR A0 N 0 2.8891835 -8.803802 8.200064 1 810 1 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 0 2.2405994 -7.5855217 8.66157 1 811 1 +ATOM C C . THR A0 1 107 . 107 THR A0 C 0 2.8399086 -6.3756166 7.9512596 1 812 1 +ATOM O O . THR A0 1 107 . 107 THR A0 O 0 4.0629044 -6.256995 7.8336554 1 813 1 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 0 2.3816395 -7.424038 10.185914 1 814 1 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 0 1.7012018 -8.502 10.829283 1 815 1 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 0 1.7667143 -6.1063375 10.65493 1 816 1 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 0 1.9580998 -5.49284 7.4866 1 817 1 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 0 2.3523026 -4.2565827 6.821759 1 818 1 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 0 1.7428751 -3.088713 7.594782 1 819 1 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 0 0.5169953 -3.0164132 7.742605 1 820 1 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 0 1.8705273 -4.2345123 5.3554897 1 821 1 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 0 2.4467435 -5.4265714 4.5815125 1 822 1 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 0 2.2463517 -2.9133084 4.6901255 1 823 1 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 0 1.661511 -5.762674 3.3219364 1 824 1 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 0 2.603104 -2.2075534 8.103489 1 825 1 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 0 2.1372166 -1.0288717 8.832036 1 826 1 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 0 2.3674064 0.21609357 7.990555 1 827 1 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 0 3.4474635 0.38504863 7.399097 1 828 1 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 0 2.8695436 -0.89145756 10.177885 1 829 1 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 0 2.5400898 -1.9823838 11.169178 1 830 1 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 0 3.2957392 -1.754585 12.478804 1 831 1 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 0 2.8905153 -2.7863228 13.52449 1 832 1 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 0 3.6071923 -2.5630517 14.7990265 1 833 1 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 0 1.364532 1.0829349 7.943636 1 834 1 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 0 1.4587953 2.338544 7.2155285 1 835 1 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 0 1.2192807 3.4755626 8.19124 1 836 1 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 0 0.19914001 3.4922109 8.896963 1 837 1 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 0 0.43534654 2.3769457 6.0744753 1 838 1 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 0 0.67090666 1.2978027 5.017452 1 839 1 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 0 -0.4139955 1.3079319 3.9345925 1 840 1 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 0 -0.12558313 0.3681777 2.8451486 1 841 1 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 0 -0.53109103 -0.91505975 2.8424203 1 842 1 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 0 -1.2300829 -1.4070196 3.8662982 1 843 1 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 0 -0.20975412 -1.6973107 1.8302329 1 844 1 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 0 2.1527486 4.4225655 8.268042 1 845 1 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 0 2.0425973 5.5305357 9.208739 1 846 1 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 0 2.5236576 6.8218064 8.56636 1 847 1 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 0 3.3135068 6.8156524 7.6265182 1 848 1 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 0 2.8652787 5.24701 10.477913 1 849 1 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 0 4.3777723 5.2479763 10.255345 1 850 1 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 0 5.1226053 5.1066184 11.575802 1 851 1 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 0 6.628577 5.1063538 11.336821 1 852 1 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 0 7.380578 5.0646324 12.612229 1 853 1 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 0 2.0300882 7.9210052 9.112925 1 854 1 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 0 2.5422885 9.224714 8.721791 1 855 1 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 0 3.7110176 9.587098 9.62434 1 856 1 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 0 3.6197307 9.44136 10.858992 1 857 1 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 0 1.4430993 10.286168 8.819188 1 858 1 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 0 0.40125167 10.255875 7.6998267 1 859 1 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 0 1.0120339 10.6859455 6.369509 1 860 1 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 0 1.8855485 11.856653 6.4892435 1 861 1 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 0 1.466835 13.116026 6.4892073 1 862 1 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 0 0.17732789 13.382993 6.343206 1 863 1 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 0 2.3602476 14.092949 6.626524 1 864 1 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 0 4.801372 10.038864 9.006857 1 865 1 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 0 5.966419 10.539505 9.728003 1 866 1 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 0 6.4590364 11.775267 8.986029 1 867 1 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 0 6.834016 11.685092 7.8184237 1 868 1 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 0 7.048237 9.459017 9.796674 1 869 1 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 0 8.340836 9.923992 10.442355 1 870 1 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 0 9.41517 8.868816 10.443704 1 871 1 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 0 9.156509 7.736524 10.89126 1 872 1 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 0 10.541301 9.160074 9.977502 1 873 1 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 0 6.444421 12.910867 9.679198 1 874 1 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 0 6.717861 14.188236 9.024442 1 875 1 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 0 5.795892 14.327996 7.8228607 1 876 1 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 0 4.5803313 14.148962 7.968868 1 877 1 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 0 8.210508 14.300498 8.644264 1 878 1 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 0 9.120189 14.302012 9.85993 1 879 1 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 0 8.660593 14.713499 10.938392 1 880 1 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 0 10.294944 13.893323 9.7364 1 881 1 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 0 6.3067365 14.634044 6.6401963 1 882 1 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 0 5.472129 14.738291 5.444826 1 883 1 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 0 5.4731884 13.455753 4.628175 1 884 1 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 0 5.066478 13.467442 3.4620674 1 885 1 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 0 5.940724 15.906615 4.5672607 1 886 1 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 0 5.6551023 17.24868 5.1903095 1 887 1 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 0 4.499637 17.47285 5.6218605 1 888 1 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 0 6.579583 18.080729 5.2554164 1 889 1 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 0 5.897417 12.3569145 5.2468762 1 890 1 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 0 6.0508113 11.094679 4.5249786 1 891 1 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 0 5.0085535 10.069485 4.9607706 1 892 1 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 0 4.4370728 10.166022 6.05568 1 893 1 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 0 7.457224 10.528454 4.7519956 1 894 1 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 0 8.584021 11.472954 4.3811693 1 895 1 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 0 9.944784 10.844236 4.6458073 1 896 1 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 0 11.082904 11.789423 4.290435 1 897 1 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 0 11.101096 12.983873 5.1823626 1 898 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 4.7906885 9.107831 4.0970664 1 899 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 4.023787 7.9165792 4.427161 1 900 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 5.02574 6.7745943 4.476819 1 901 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 5.6536903 6.45065 3.4645557 1 902 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 2.9457345 7.6592283 3.3666863 1 903 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 1.8097498 6.681163 3.697414 1 904 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 0.72470164 6.7875004 2.62832 1 905 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 2.281693 5.2548943 3.8218043 1 906 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 5.210131 6.2015114 5.656944 1 907 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 6.209358 5.1616 5.868838 1 908 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 5.5061593 3.8119612 5.9613576 1 909 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 4.571418 3.6456833 6.7582765 1 910 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 7.0403376 5.430342 7.1330194 1 911 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 8.083488 4.339607 7.3249245 1 912 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 7.7111554 6.8036394 7.0336657 1 913 1 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 0 5.969556 2.872155 5.142162 1 914 1 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 0 5.404152 1.532117 5.0921984 1 915 1 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 0 6.4459724 0.55776596 5.628544 1 916 1 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 0 7.552409 0.46914893 5.0941124 1 917 1 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 0 5.0134053 1.1367414 3.6497617 1 918 1 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 0 4.342779 -0.23148608 3.639175 1 919 1 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 0 4.0983763 2.1910515 3.027651 1 920 1 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 0 6.1035748 -0.14532095 6.7021184 1 921 1 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 0 7.000892 -1.1295727 7.2929716 1 922 1 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 0 6.39313 -2.5128007 7.1229706 1 923 1 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 0 5.265905 -2.762321 7.558654 1 924 1 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 0 7.2394323 -0.826393 8.769627 1 925 1 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 0 8.255081 -1.7683172 9.419815 1 926 1 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 0 8.449967 -1.4946796 10.899404 1 927 1 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 0 9.56916 -1.1065077 11.297652 1 928 1 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 0 7.4714155 -1.6607523 11.653833 1 929 1 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 0 7.125786 -3.389182 6.459757 1 930 1 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 0 6.662939 -4.733252 6.146168 1 931 1 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 0 7.501957 -5.753421 6.9013624 1 932 1 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 0 8.730948 -5.6831527 6.8540826 1 933 1 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 0 6.781753 -5.0144796 4.6480207 1 934 1 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 0 6.185598 -3.7156858 3.610716 1 935 1 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 0 6.863264 -6.6820173 7.574975 1 936 1 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 0 7.56975 -7.687065 8.362223 1 937 1 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 0 7.1022635 -9.079634 7.9518886 1 938 1 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 0 5.896784 -9.351113 7.9137783 1 939 1 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 0 7.3492317 -7.480486 9.877087 1 940 1 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 0 8.072781 -8.562588 10.667795 1 941 1 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 0 7.8258877 -6.104461 10.300719 1 942 1 +ATOM N N . MET A0 1 123 . 123 MET A0 N 0 8.071354 -9.932896 7.641202 1 943 1 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 0 7.816495 -11.350337 7.3756332 1 944 1 +ATOM C C . MET A0 1 123 . 123 MET A0 C 0 8.815547 -12.144166 8.196444 1 945 1 +ATOM O O . MET A0 1 123 . 123 MET A0 O 0 10.008069 -12.101213 7.9121447 1 946 1 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 0 7.9574876 -11.649036 5.8877916 1 947 1 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 0 7.8327928 -13.125315 5.5305395 1 948 1 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 0 6.151263 -13.699436 5.776438 1 949 1 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 0 6.3665113 -15.474125 5.525565 1 950 1 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 0 8.310625 -12.815073 9.21389 1 951 1 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 0 9.163843 -13.547251 10.149855 1 952 1 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 0 10.266863 -12.631171 10.665773 1 953 1 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 0 9.95216 -11.627671 11.309711 1 954 1 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 0 9.678398 -14.822201 9.471982 1 955 1 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 0 8.556465 -15.862741 9.304029 1 956 1 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 0 8.734163 -16.761616 8.097517 1 957 1 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 0 9.983269 -17.603668 8.138946 1 958 1 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 0 9.995556 -18.566341 6.9889736 1 959 1 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 0 11.548179 -12.87884 10.397951 1 960 1 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 0 12.606319 -12.041351 10.949334 1 961 1 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 0 13.012419 -10.849215 10.121857 1 962 1 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 0 13.888577 -10.081053 10.549015 1 963 1 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 0 12.423811 -10.662713 8.947305 1 964 1 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 0 12.881771 -9.658689 7.9953423 1 965 1 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 0 11.958353 -8.446687 7.9955792 1 966 1 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 0 10.736739 -8.592196 7.892885 1 967 1 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 0 12.978466 -10.245833 6.5708447 1 968 1 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 0 13.355263 -9.174206 5.5615883 1 969 1 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 0 13.99376 -11.386737 6.544525 1 970 1 +ATOM N N . THR A0 1 127 . 127 THR A0 N 0 12.550646 -7.254864 8.105452 1 971 1 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 0 11.807689 -6.004178 8.066671 1 972 1 +ATOM C C . THR A0 1 127 . 127 THR A0 C 0 12.239519 -5.1849723 6.8581066 1 973 1 +ATOM O O . THR A0 1 127 . 127 THR A0 O 0 13.431295 -4.963707 6.6382775 1 974 1 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 0 12.024513 -5.183509 9.348089 1 975 1 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 0 11.554298 -5.9179726 10.475203 1 976 1 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 0 11.275682 -3.85342 9.274476 1 977 1 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 0 11.2639885 -4.739148 6.085266 1 978 1 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 0 11.472986 -3.8522096 4.951445 1 979 1 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 0 10.819625 -2.5158553 5.256535 1 980 1 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 0 9.734383 -2.4781437 5.8380785 1 981 1 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 0 10.856939 -4.4727116 3.701324 1 982 1 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 0 10.661972 -3.3596501 2.3009768 1 983 1 +ATOM N N . THR A0 1 129 . 129 THR A0 N 0 11.475893 -1.4119061 4.8760314 1 984 1 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 0 10.892927 -0.08818637 5.0394754 1 985 1 +ATOM C C . THR A0 1 129 . 129 THR A0 C 0 10.828746 0.5998721 3.677461 1 986 1 +ATOM O O . THR A0 1 129 . 129 THR A0 O 0 11.845694 0.6881597 2.9742303 1 987 1 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 0 11.704403 0.7728417 6.0233717 1 988 1 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 0 11.754561 0.12054869 7.2898307 1 989 1 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 0 11.05625 2.1448917 6.192668 1 990 1 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 0 9.659622 1.1118865 3.3469958 1 991 1 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 0 9.445652 1.8331951 2.0942893 1 992 1 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 0 8.826945 3.1851335 2.3993382 1 993 1 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 0 7.8471546 3.2697392 3.162191 1 994 1 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 0 8.581445 1.021131 1.1280093 1 995 1 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 0 9.373024 -0.14346054 0.53678596 1 996 1 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 0 8.524563 -1.2319163 -0.046877503 1 997 1 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 0 7.8317456 -0.90010333 -1.2990419 1 998 1 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 0 8.399818 -0.9044001 -2.509942 1 999 1 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 0 9.693785 -1.1565517 -2.653511 1 1000 1 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 0 7.661372 -0.640908 -3.5719378 1 1001 1 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 0 9.430511 4.2283573 1.8486669 1 1002 1 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 0 9.051794 5.597762 2.1795812 1 1003 1 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 0 8.437965 6.2769904 0.967875 1 1004 1 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 0 9.007561 6.2447195 -0.13033064 1 1005 1 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 0 10.26423 6.4132457 2.6837306 1 1006 1 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 0 9.854546 7.8358088 3.006562 1 1007 1 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 0 10.882307 5.7337112 3.9100885 1 1008 1 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 0 7.2859974 6.891234 1.1962304 1 1009 1 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 0 6.5668125 7.624012 0.16130516 1 1010 1 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 0 6.482976 9.094359 0.52646816 1 1011 1 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 0 6.38669 9.456829 1.705917 1 1012 1 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 0 5.1410246 7.0717554 0.0041400986 1 1013 1 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 0 5.0555706 5.700552 -0.61156857 1 1014 1 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 0 5.374114 4.5569143 0.11823943 1 1015 1 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 0 4.657301 5.5312586 -1.9305339 1 1016 1 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 0 5.2976074 3.2971516 -0.45208365 1 1017 1 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 0 4.5696707 4.2783794 -2.5120344 1 1018 1 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 0 4.891142 3.1659157 -1.7634482 1 1019 1 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 0 4.8223395 1.9287071 -2.3215714 1 1020 1 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 0 6.503558 9.9578495 -0.48366955 1 1021 1 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 0 6.242811 11.380297 -0.3232696 1 1022 1 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 0 5.066251 11.772654 -1.1921079 1 1023 1 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 0 4.7217436 11.07691 -2.1403713 1 1024 1 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 0 7.4852767 12.197419 -0.6792396 1 1025 1 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 0 8.617109 12.009719 0.31913143 1 1026 1 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 0 9.871252 12.785586 -0.039269708 1 1027 1 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 0 10.8358345 12.727212 0.7540903 1 1028 1 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 0 9.896013 13.455511 -1.0981349 1 1029 1 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 0 4.452262 12.908325 -0.8629953 1 1030 1 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 0 3.293299 13.339612 -1.6416395 1 1031 1 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 0 3.7010775 13.614317 -3.0889897 1 1032 1 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 0 4.7451687 14.211906 -3.344473 1 1033 1 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 0 2.6581092 14.583229 -1.0099559 1 1034 1 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 0 1.9321091 14.248743 0.28696162 1 1035 1 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 0 0.94179344 15.340717 0.68357515 1 1036 1 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 0 0.32428926 15.049977 1.9829011 1 1037 1 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 0 -0.78291917 14.321089 2.1373866 1 1038 1 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 0 -1.2611313 14.105959 3.3541145 1 1039 1 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 0 -1.4085705 13.80376 1.076983 1 1040 1 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 0 2.8757782 13.127676 -4.004776 1 1041 1 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 0 3.160111 13.28255 -5.419669 1 1042 1 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 0 2.7193155 14.656201 -5.9082813 1 1043 1 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 0 2.0734732 15.411838 -5.1763377 1 1044 1 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 0 2.4803066 12.17578 -6.2280483 1 1045 1 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 0 3.0712795 15.03298 -7.0071683 1 1046 1 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 0 -2.7759752 -2.6412356 -2.310426 1 1047 1 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 0 -2.34507 -3.8429184 -3.052826 1 1048 1 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 0 -1.647332 -2.3863578 -1.0024489 1 1049 1 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 0 -2.7375479 -1.3099334 -3.3859777 1 1050 1 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 0 -4.098631 -7.95865 -9.881212 1 1051 1 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 0 -3.6207538 -6.8530474 -10.746505 1 1052 1 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 0 -2.8764935 -9.169336 -9.830064 1 1053 1 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 0 -5.5470915 -8.573914 -10.521086 1 1054 1 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 0 -0.81459117 16.273006 6.441889 1 1055 1 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 0 -1.2752666 15.723782 7.7206974 1 1056 1 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 0 0.5428654 17.302979 6.6974773 1 1057 1 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 0 -2.1056328 17.079376 5.67634 1 1058 1 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 0 4.2969494 -3.523098 -3.773706 1 1059 1 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 0 4.2801285 -4.7236032 -2.9916964 1 1060 1 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 0 4.197238 -4.667964 -1.6483824 1 1061 1 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 0 4.135383 -3.495788 -0.9742084 1 1062 1 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 0 4.1871147 -2.265662 -1.6912868 1 1063 1 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 0 4.2595863 -2.3105326 -3.0808353 1 1064 1 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 0 5.27712 -8.154165 -3.529646 1 1065 1 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 0 4.149081 -0.9396214 -1.0013543 1 1066 1 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 0 4.3555517 -3.5557323 -5.243134 1 1067 1 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 0 5.5862937 -3.5682974 -5.8910737 1 1068 1 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 0 5.636836 -3.56607 -7.3017087 1 1069 1 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 0 4.451105 -3.4998677 -8.052089 1 1070 1 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 0 3.209878 -3.4507005 -7.371006 1 1071 1 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 0 3.170627 -3.465985 -5.9723954 1 1072 1 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 0 4.3648496 -5.9243345 -3.5727558 1 1073 1 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 0 4.067315 -3.5529604 0.5515647 1 1074 1 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 0 4.963952 -2.7688775 1.0831834 1 1075 1 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 0 2.8570738 -3.1963587 0.94368184 1 1076 1 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 0 4.3130054 -4.772396 0.9657743 1 1077 1 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 0 4.6204634 -7.068435 -2.7127335 1 1078 1 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 0 6.376214 -7.6835413 -4.0781064 1 1079 1 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 0 4.4595394 -8.520819 -4.476193 1 1080 1 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 0 5.56697 -9.175932 -2.750702 1 1081 1 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 0 3.118822 -0.5810854 -0.41848704 1 1082 1 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 0 5.2005944 -0.23707268 -1.0546811 1 1083 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +3 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1.cif new file mode 100644 index 0000000000000000000000000000000000000000..f6725c9fec6845cde67f36f70717cb4910ead5d9 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1.cif @@ -0,0 +1,1402 @@ +data_7fwf-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 96.48 -0.62182766 -22.70177 -12.185219 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 96.88 0.75099105 -22.371563 -12.52936 1 2 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 97.66 1.3314708 -21.316254 -11.610371 1 3 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 96.88 0.60667276 -20.676968 -10.843011 1 4 +ATOM N N . SER A0 1 2 . 2 SER A0 N 97.27 2.631403 -21.136118 -11.686219 1 5 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 97.66 3.3261628 -20.167805 -10.854687 1 6 +ATOM C C . SER A0 1 2 . 2 SER A0 C 97.66 2.9940464 -18.74076 -11.277672 1 7 +ATOM O O . SER A0 1 2 . 2 SER A0 O 96.88 2.5912192 -18.491243 -12.424852 1 8 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 97.27 4.8352194 -20.404491 -10.91449 1 9 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 96.48 5.1858344 -21.678856 -10.407912 1 10 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 96.88 3.161634 -17.819973 -10.35327 1 11 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 97.27 2.9076595 -16.395367 -10.559483 1 12 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 97.66 4.1025953 -15.630519 -10.022297 1 13 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 96.88 4.623183 -15.972157 -8.948126 1 14 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 97.27 1.6611812 -15.968232 -9.770376 1 15 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 97.27 0.49515527 -15.5897665 -10.612427 1 16 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 96.09 0.19380844 -14.27903 -10.931879 1 17 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 96.09 -0.45066756 -16.340153 -11.192045 1 18 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 96.09 -0.88788235 -14.247936 -11.679109 1 19 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 96.48 -1.3086553 -15.492904 -11.849741 1 20 +ATOM N N . MET A0 1 4 . 4 MET A0 N 97.27 4.5337596 -14.5998745 -10.731237 1 21 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 97.66 5.6136885 -13.774961 -10.1950865 1 22 +ATOM C C . MET A0 1 4 . 4 MET A0 C 98.05 5.1800747 -13.123507 -8.873087 1 23 +ATOM O O . MET A0 1 4 . 4 MET A0 O 96.88 6.0093584 -12.910147 -7.9895844 1 24 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 96.88 6.046071 -12.705781 -11.206072 1 25 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 95.7 7.162182 -11.777131 -10.683653 1 26 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 95.31 8.681833 -12.643536 -10.23259 1 27 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 93.75 9.377715 -12.970292 -11.833626 1 28 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 95.7 3.9042587 -12.866682 -8.726154 1 29 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 96.88 3.431683 -12.256894 -7.490281 1 30 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 97.27 3.4554167 -13.210434 -6.304579 1 31 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 96.48 3.1594267 -12.800592 -5.1803665 1 32 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 95.31 2.0313869 -11.678719 -7.672555 1 33 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 94.53 0.8169532 -12.8614435 -8.245405 1 34 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 97.27 3.8641977 -14.4453535 -6.5177097 1 35 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 97.66 4.024049 -15.378055 -5.4076777 1 36 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 98.05 5.0106196 -14.852923 -4.3672943 1 37 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 97.27 4.891528 -15.180048 -3.18462 1 38 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 96.88 4.503701 -16.74104 -5.9102163 1 39 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 96.09 3.4317393 -17.499834 -6.6650405 1 40 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 94.53 2.274289 -17.03282 -6.718159 1 41 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 94.14 3.7507696 -18.57768 -7.210532 1 42 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 96.88 5.994979 -14.047964 -4.7941866 1 43 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 98.05 6.991549 -13.517824 -3.868069 1 44 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 98.44 6.3943896 -12.53841 -2.864018 1 45 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 98.05 7.01515 -12.254101 -1.8354561 1 46 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 96.88 8.12313 -12.842569 -4.6363535 1 47 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 98.83 5.2188005 -12.013335 -3.1530666 1 48 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 98.44 4.5454636 -11.088964 -2.248653 1 49 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 98.83 3.6178863 -11.801932 -1.2637765 1 50 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 98.44 3.2198007 -11.208071 -0.25873312 1 51 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 98.44 3.719302 -10.071973 -3.0464501 1 52 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 98.83 4.54472 -9.149965 -3.8981104 1 53 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 98.83 4.731535 -9.406988 -5.241687 1 54 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 98.83 5.1281652 -8.031422 -3.3421178 1 55 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 98.44 5.4990215 -8.551517 -6.028431 1 56 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 98.44 5.8946266 -7.172613 -4.1188464 1 57 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 98.83 6.0766115 -7.437705 -5.4661427 1 58 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 98.83 3.2818952 -13.04372 -1.5364436 1 59 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 98.44 2.271315 -13.753847 -0.76119816 1 60 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 98.83 2.7621956 -14.000644 0.65822625 1 61 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 98.83 3.888082 -14.438166 0.8676654 1 62 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 98.44 1.8853884 -15.081844 -1.451812 1 63 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 98.05 1.0164258 -15.93691 -0.54608095 1 64 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 98.44 1.1798067 -14.789526 -2.7775803 1 65 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 98.83 1.9003775 -13.729597 1.6112597 1 66 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 98.83 2.2095542 -13.984324 3.0061162 1 67 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 98.83 1.626624 -12.922902 3.910595 1 68 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 98.83 0.7943127 -12.114445 3.4969587 1 69 +ATOM N N . THR A0 1 11 . 11 THR A0 N 98.83 2.0596552 -12.95521 5.1413727 1 70 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 98.83 1.6113523 -12.010284 6.1539717 1 71 +ATOM C C . THR A0 1 11 . 11 THR A0 C 98.83 2.7732227 -11.108572 6.521492 1 72 +ATOM O O . THR A0 1 11 . 11 THR A0 O 98.83 3.8699875 -11.593128 6.8290544 1 73 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 98.83 1.0783974 -12.744823 7.3922567 1 74 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 96.09 0.0007327738 -13.599224 6.98664 1 75 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 96.88 0.56851244 -11.755266 8.441448 1 76 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 98.83 2.556293 -9.82032 6.482271 1 77 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 98.83 3.592986 -8.821592 6.6538363 1 78 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 98.83 3.207409 -7.851324 7.761091 1 79 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 98.83 2.0218458 -7.5389733 7.9371414 1 80 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 98.83 3.808836 -8.0418215 5.3504148 1 81 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 98.83 4.153659 -8.899275 4.1752343 1 82 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 98.44 3.274838 -9.478138 3.2980323 1 83 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 98.83 5.453567 -9.270861 3.7405968 1 84 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 98.83 3.95418 -10.18322 2.3437603 1 85 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 98.83 5.303165 -10.072518 2.5852752 1 86 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 98.83 6.745777 -9.000364 4.2054777 1 87 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 98.83 6.391014 -10.603725 1.8998444 1 88 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 98.83 7.822617 -9.5305 3.52236 1 89 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 98.83 7.6393657 -10.323917 2.3786888 1 90 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 98.83 4.2126346 -7.3777504 8.490269 1 91 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 98.83 3.9764755 -6.4063826 9.554443 1 92 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 98.83 4.811782 -5.158704 9.298193 1 93 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 98.83 5.978532 -5.2454014 8.928596 1 94 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 98.83 4.3144674 -7.010397 10.926598 1 95 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 96.48 5.779021 -7.40018 11.093899 1 96 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 95.7 6.033228 -7.9663343 12.486956 1 97 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 93.75 7.48198 -8.397267 12.625128 1 98 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 92.19 7.7608376 -8.933013 13.973906 1 99 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 98.83 4.2017946 -4.003971 9.527079 1 100 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 98.83 4.9147096 -2.7403378 9.345152 1 101 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 98.44 5.988617 -2.57217 10.416855 1 102 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 98.44 5.7077174 -2.7120135 11.610516 1 103 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 98.83 3.9404757 -1.5609977 9.41777 1 104 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 98.83 4.554478 -0.19170569 9.128826 1 105 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 98.44 3.64236 0.9119942 9.650592 1 106 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 98.83 4.8083963 -0.023316769 7.644328 1 107 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 98.83 7.221337 -2.2773802 9.981409 1 108 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 98.83 8.301536 -2.054825 10.931361 1 109 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 98.83 8.900274 -0.65322983 10.857178 1 110 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 98.83 9.553999 -0.22571686 11.803276 1 111 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 98.44 9.424362 -3.1071985 10.787793 1 112 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 96.48 8.886739 -4.4999876 11.125572 1 113 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 96.48 10.022631 -3.077425 9.397307 1 114 +ATOM N N . SER A0 1 16 . 16 SER A0 N 98.83 8.688271 0.05120766 9.765116 1 115 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 98.83 9.161317 1.4281347 9.694134 1 116 +ATOM C C . SER A0 1 16 . 16 SER A0 C 98.44 8.3407135 2.2294123 8.6945 1 117 +ATOM O O . SER A0 1 16 . 16 SER A0 O 98.83 7.754133 1.669432 7.759468 1 118 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 98.83 10.650389 1.4996879 9.340774 1 119 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 96.48 10.8798485 1.1295483 7.998746 1 120 +ATOM N N . SER A0 1 17 . 17 SER A0 N 98.83 8.315088 3.5212836 8.915331 1 121 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 98.83 7.561446 4.4199076 8.062468 1 122 +ATOM C C . SER A0 1 17 . 17 SER A0 C 98.83 8.261024 5.7684937 8.013147 1 123 +ATOM O O . SER A0 1 17 . 17 SER A0 O 98.83 8.623441 6.3178153 9.054282 1 124 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 98.83 6.139594 4.576183 8.595837 1 125 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 97.27 5.3614693 5.40878 7.7566266 1 126 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 98.83 8.498307 6.2729464 6.81262 1 127 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 98.83 9.15013 7.5621076 6.629234 1 128 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 98.83 8.253416 8.472029 5.797597 1 129 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 98.83 7.7960825 8.079286 4.7227564 1 130 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 98.83 10.495716 7.4063587 5.916767 1 131 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 93.75 11.523182 6.5818872 6.67175 1 132 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 90.62 12.755699 6.2738523 5.8291607 1 133 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 89.45 13.616575 5.503691 6.3000965 1 134 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 90.23 12.871465 6.7983027 4.697612 1 135 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 98.83 7.989795 9.667931 6.3075743 1 136 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 98.83 7.286302 10.714764 5.571439 1 137 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 98.83 5.7979984 10.432987 5.3439207 1 138 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 98.83 5.177338 11.076958 4.491353 1 139 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 98.83 7.981553 10.966942 4.2331543 1 140 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 97.66 8.258849 12.409862 3.972426 1 141 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 96.88 8.324371 13.213097 4.892624 1 142 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 96.88 8.437866 12.747465 2.6959515 1 143 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 98.83 5.1955986 9.52021 6.0883217 1 144 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 98.83 3.796792 9.161089 5.8710637 1 145 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 98.83 2.8529718 10.323033 6.169098 1 146 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 98.83 1.8618845 10.515877 5.466421 1 147 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 98.83 3.433457 7.9299545 6.7066236 1 148 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 98.83 2.0909534 7.328269 6.382902 1 149 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 98.83 1.176256 7.0824776 7.395479 1 150 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 98.83 1.7593384 6.9880733 5.087464 1 151 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 98.83 -0.055805564 6.508951 7.120658 1 152 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 98.83 0.53068125 6.4123783 4.798053 1 153 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 98.83 -0.37968946 6.1731205 5.8182344 1 154 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 98.83 3.1616533 11.110654 7.2026024 1 155 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 98.83 2.319733 12.257477 7.5183296 1 156 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 98.83 2.3037465 13.268101 6.3713417 1 157 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 98.83 1.2480485 13.778975 5.998208 1 158 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 98.83 2.7863817 12.9351015 8.814922 1 159 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 98.44 1.8467932 14.044049 9.246299 1 160 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 98.44 0.70128745 13.729989 9.642635 1 161 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 98.83 2.2292492 15.231212 9.180054 1 162 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 98.83 3.467342 13.557596 5.807118 1 163 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 98.44 3.539149 14.488506 4.6764493 1 164 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 98.83 2.8112307 13.933181 3.4541094 1 165 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 98.83 2.151977 14.683001 2.72224 1 166 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 98.44 5.0001903 14.794448 4.3344283 1 167 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 98.05 5.682907 15.663425 5.3728004 1 168 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 97.27 5.0009284 16.492594 6.00847 1 169 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 97.27 6.9082303 15.514408 5.5435925 1 170 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 98.83 2.9331555 12.641887 3.2194843 1 171 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 98.83 2.1982973 12.010407 2.121337 1 172 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 98.83 0.69070226 12.161289 2.3212194 1 173 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 98.83 -0.03642895 12.545203 1.397449 1 174 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 98.83 2.5911753 10.529934 2.0185852 1 175 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 98.83 1.7763611 9.749063 1.0028765 1 176 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 98.83 0.81576574 8.831288 1.420925 1 177 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 98.83 1.9748563 9.918152 -0.35704625 1 178 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 98.83 0.069822565 8.112267 0.5034661 1 179 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 98.44 1.2327907 9.1991825 -1.2875822 1 180 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 98.83 0.28379518 8.298378 -0.84591794 1 181 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 98.83 -0.44672197 7.5849195 -1.7579788 1 182 +ATOM N N . MET A0 1 24 . 24 MET A0 N 98.83 0.2212671 11.872851 3.5407677 1 183 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 98.83 -1.2037292 12.024567 3.8240962 1 184 +ATOM C C . MET A0 1 24 . 24 MET A0 C 98.83 -1.6604066 13.468733 3.6439757 1 185 +ATOM O O . MET A0 1 24 . 24 MET A0 O 98.83 -2.7601817 13.714663 3.1414897 1 186 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 98.83 -1.515764 11.533085 5.244692 1 187 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 98.44 -1.4363339 10.019524 5.3901663 1 188 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 98.44 -2.066803 9.458115 7.0042806 1 189 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 97.27 -0.7891822 10.091779 8.097601 1 190 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 98.83 -0.82861024 14.430563 4.0577655 1 191 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 98.83 -1.1661267 15.842063 3.848621 1 192 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 98.83 -1.3798885 16.134106 2.3701906 1 193 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 98.44 -2.3291192 16.819073 1.9963808 1 194 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 98.83 -0.064595476 16.75888 4.387045 1 195 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 98.44 -0.01927902 16.908024 5.8923006 1 196 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 98.05 1.046498 17.93734 6.274086 1 197 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 97.27 1.3020316 17.973782 7.7736673 1 198 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 97.27 2.3650217 18.950624 8.11739 1 199 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 98.83 -0.47771952 15.629303 1.5217464 1 200 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 98.44 -0.609614 15.870037 0.08335161 1 201 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 98.44 -1.8740102 15.237459 -0.4830857 1 202 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 98.44 -2.445802 15.762253 -1.4482583 1 203 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 98.44 0.5992181 15.342575 -0.6866371 1 204 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 98.05 1.828213 16.219976 -0.61588466 1 205 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 98.44 1.5756203 17.661592 -0.985428 1 206 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 97.66 1.7907915 18.525272 -0.1168662 1 207 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 97.27 1.1726987 17.933348 -2.147067 1 208 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 98.83 -2.3035388 14.12973 0.09711096 1 209 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 98.83 -3.5540836 13.496618 -0.32183784 1 210 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 98.83 -4.7827873 14.295254 0.11162269 1 211 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 98.83 -5.8854895 14.032501 -0.3799455 1 212 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 98.83 -3.658998 12.080864 0.25719777 1 213 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 98.83 -2.7442536 11.000529 -0.31716445 1 214 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 98.83 -2.9532642 9.69836 0.45621994 1 215 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 98.83 -3.0110965 10.780657 -1.799772 1 216 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 98.83 -4.601802 15.243378 1.0361389 1 217 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 98.83 -5.7107453 16.011303 1.5807457 1 218 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 98.83 -6.3171163 15.430759 2.842752 1 219 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 98.83 -7.4216976 15.816108 3.2319357 1 220 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 98.83 -5.600458 14.527189 3.4900594 1 221 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 98.83 -6.1056356 13.877324 4.6965675 1 222 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 98.83 -6.106065 14.871684 5.8581524 1 223 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 98.83 -5.1196513 15.579348 6.0832033 1 224 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 98.44 -5.256057 12.636908 5.044545 1 225 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 98.83 -5.771401 11.970472 6.3156915 1 226 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 98.44 -5.2627354 11.642156 3.8754582 1 227 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 98.44 -7.2175593 14.926715 6.5917883 1 228 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 98.83 -7.3437366 15.8495655 7.706166 1 229 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 98.83 -6.5168076 15.44577 8.917974 1 230 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 98.83 -5.9986696 14.331153 9.008541 1 231 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 98.44 -6.4065533 16.36208 9.857849 1 232 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 98.83 -5.532626 16.187183 11.026533 1 233 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 98.83 -5.837694 14.912519 11.818072 1 234 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 98.83 -4.935114 14.113747 12.099272 1 235 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 98.83 -5.6421237 17.411465 11.935608 1 236 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 98.44 -4.861846 17.278961 13.211883 1 237 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 98.83 -5.472907 16.828432 14.371829 1 238 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 98.83 -3.5184414 17.60055 13.2468405 1 239 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 98.44 -4.7510815 16.70482 15.553043 1 240 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 98.44 -2.7927992 17.47963 14.420671 1 241 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 98.44 -3.4087908 17.033346 15.574546 1 242 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 98.44 -7.104529 14.724897 12.189531 1 243 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 98.83 -7.4487677 13.584819 13.03559 1 244 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 98.83 -7.1389675 12.251871 12.347776 1 245 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 98.83 -6.6027718 11.330329 12.970488 1 246 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 98.83 -8.918867 13.645016 13.432768 1 247 +ATOM N N . THR A0 1 33 . 33 THR A0 N 98.83 -7.460746 12.184534 11.068201 1 248 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 98.83 -7.193348 10.952764 10.331404 1 249 +ATOM C C . THR A0 1 33 . 33 THR A0 C 98.83 -5.6926312 10.727505 10.153223 1 250 +ATOM O O . THR A0 1 33 . 33 THR A0 O 98.83 -5.223196 9.585776 10.234175 1 251 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 98.44 -7.913373 10.978361 8.96775 1 252 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 96.88 -9.319294 11.115151 9.18442 1 253 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 97.27 -7.6380982 9.6867285 8.181744 1 254 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 98.83 -4.9277496 11.797065 9.921099 1 255 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 98.44 -3.4730244 11.635668 9.837994 1 256 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 98.83 -2.9015732 11.099659 11.145082 1 257 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 98.83 -2.017508 10.23307 11.121493 1 258 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 98.44 -2.7871633 12.9635935 9.495422 1 259 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 98.44 -3.026114 13.444472 8.0887375 1 260 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 98.83 -1.972378 14.454427 7.650855 1 261 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 98.44 -1.716783 15.538782 8.591607 1 262 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 98.83 -2.4639351 16.634766 8.700572 1 263 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 98.44 -3.5430262 16.794113 7.942252 1 264 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 98.44 -2.1257386 17.57129 9.582748 1 265 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 98.83 -3.3768244 11.628063 12.274321 1 266 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 98.83 -2.8702683 11.155846 13.559015 1 267 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 98.83 -3.1927385 9.684013 13.762584 1 268 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 98.83 -2.3232884 8.89901 14.171005 1 269 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 98.44 -3.4463859 11.988703 14.704039 1 270 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 98.44 -2.9631033 13.43845 14.709326 1 271 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 97.66 -1.4372966 13.500971 14.829258 1 272 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 97.27 -0.96686244 14.93721 14.809956 1 273 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 96.48 0.50309956 15.011807 14.836132 1 274 +ATOM N N . MET A0 1 36 . 36 MET A0 N 98.83 -4.431587 9.288729 13.471793 1 275 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 98.83 -4.823718 7.891737 13.622326 1 276 +ATOM C C . MET A0 1 36 . 36 MET A0 C 98.83 -4.0479517 6.9938536 12.653722 1 277 +ATOM O O . MET A0 1 36 . 36 MET A0 O 98.44 -3.5581393 5.9262214 13.0453 1 278 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 98.44 -6.333807 7.750819 13.386662 1 279 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 97.27 -6.8471575 6.3142567 13.476364 1 280 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 96.88 -8.644183 6.2067113 13.46052 1 281 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 94.53 -8.970774 6.6470966 11.780309 1 282 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 98.44 -3.9423952 7.442084 11.397509 1 283 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 98.83 -3.225689 6.655671 10.406502 1 284 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 98.44 -1.744225 6.543892 10.715355 1 285 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 98.44 -1.1372913 5.4829884 10.521096 1 286 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 98.44 -1.1461059 7.6226745 11.201801 1 287 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 98.44 0.27613452 7.6132574 11.498867 1 288 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 98.44 0.6510824 6.7060223 12.656567 1 289 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 98.44 1.7568605 6.1530504 12.682724 1 290 +ATOM N N . MET A0 1 39 . 39 MET A0 N 98.44 -0.2504804 6.553426 13.604229 1 291 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 98.44 0.013426098 5.7009006 14.767609 1 292 +ATOM C C . MET A0 1 39 . 39 MET A0 C 98.83 -0.12233499 4.2200766 14.449489 1 293 +ATOM O O . MET A0 1 39 . 39 MET A0 O 98.44 0.46547204 3.3858056 15.141262 1 294 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 98.44 -0.94861007 6.0361156 15.904694 1 295 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 98.05 -0.74024093 7.3875237 16.528479 1 296 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 98.05 -1.9702908 7.700897 17.803885 1 297 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 97.66 -1.4802842 6.482145 19.023546 1 298 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 98.44 -0.8988295 3.9009368 13.433941 1 299 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 98.83 -1.2094791 2.5066533 13.156685 1 300 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 98.83 0.022005834 1.7377748 12.678766 1 301 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 98.44 0.87516963 2.2643402 11.962212 1 302 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 98.44 -2.3199956 2.4036574 12.113423 1 303 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 98.83 0.108775675 0.49224067 13.087561 1 304 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 98.44 1.1320078 -0.44697276 12.620842 1 305 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 98.44 0.39410824 -1.6006774 11.94273 1 306 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 98.05 0.16931444 -2.6449556 12.540434 1 307 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 98.83 1.9743078 -0.94450617 13.7891865 1 308 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 98.05 2.8396475 0.12751098 14.415687 1 309 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 97.27 3.9972255 0.4810531 13.5109 1 310 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 97.66 4.870858 1.5652885 14.119436 1 311 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 96.48 5.5088882 1.1173915 15.391233 1 312 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 98.83 -0.00437054 -1.3948951 10.677464 1 313 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 98.44 -0.88509595 -2.3796215 10.044093 1 314 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 98.83 -0.21257126 -3.720642 9.790279 1 315 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 98.05 1.0026679 -3.817347 9.62528 1 316 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 98.44 -1.263891 -1.7207751 8.709176 1 317 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 97.66 -0.9350332 -0.271892 8.866993 1 318 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 98.83 0.22264235 -0.22454304 9.814915 1 319 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 98.83 -1.0413734 -4.7305717 9.727216 1 320 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 98.44 -0.68108404 -6.0463204 9.233928 1 321 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 98.83 -1.2097005 -6.144518 7.8104014 1 322 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 98.44 -2.344339 -5.745101 7.5352125 1 323 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 98.44 -1.3202459 -7.1160736 10.115387 1 324 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 98.44 -1.096066 -8.520586 9.611867 1 325 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 98.05 -1.9857554 -9.120811 9.01269 1 326 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 97.66 0.085511945 -9.031563 9.884203 1 327 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 98.83 -0.3730378 -6.6381407 6.8952227 1 328 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 98.44 -0.7674194 -6.7526255 5.4921846 1 329 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 98.83 -0.7173962 -8.213886 5.082407 1 330 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 98.83 0.3209897 -8.863857 5.2106686 1 331 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 98.44 0.17327626 -5.9147606 4.6242065 1 332 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 97.27 -0.1706461 -6.0057178 2.8740025 1 333 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 98.44 -1.8390038 -8.727806 4.5899224 1 334 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 98.83 -1.9143212 -10.111349 4.1230555 1 335 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 98.83 -2.135436 -10.094789 2.6194582 1 336 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 98.83 -3.0944147 -9.485584 2.1370602 1 337 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 98.44 -3.059311 -10.873009 4.803297 1 338 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 96.88 -2.9086566 -10.818725 6.3316174 1 339 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 96.88 -3.093668 -12.324382 4.33219 1 340 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 91.02 -3.8006897 -9.766077 6.9695234 1 341 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 98.83 -1.2346127 -10.767242 1.8888254 1 342 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 98.83 -1.3467528 -10.825516 0.43756709 1 343 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 98.83 -1.5338787 -12.277954 0.022354905 1 344 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 98.83 -0.783776 -13.153946 0.4617781 1 345 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 98.83 -0.10433161 -10.217631 -0.24661626 1 346 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 98.44 0.0586878 -8.754728 0.16648054 1 347 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 98.83 -0.21482024 -10.348163 -1.769453 1 348 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 98.44 1.2954109 -8.076088 -0.39869136 1 349 +ATOM N N . SER A0 1 47 . 47 SER A0 N 98.83 -2.5210042 -12.520881 -0.8158736 1 350 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 98.83 -2.8041148 -13.871808 -1.2849095 1 351 +ATOM C C . SER A0 1 47 . 47 SER A0 C 98.83 -3.1966598 -13.846647 -2.7561345 1 352 +ATOM O O . SER A0 1 47 . 47 SER A0 O 98.83 -3.5487075 -12.802125 -3.301515 1 353 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 98.83 -3.9088044 -14.526727 -0.440908 1 354 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 98.05 -5.0967026 -13.763266 -0.46938992 1 355 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 98.83 -3.1127632 -14.996859 -3.3790312 1 356 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 98.83 -3.4673443 -15.144948 -4.783823 1 357 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 98.83 -4.338586 -16.379816 -4.964181 1 358 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 98.44 -4.0610404 -17.431288 -4.3759255 1 359 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 98.44 -2.2096887 -15.268033 -5.676404 1 360 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 98.05 -2.6054778 -15.459259 -7.1368666 1 361 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 98.05 -1.3286855 -14.048919 -5.5228777 1 362 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 98.83 -5.380495 -16.241793 -5.7506332 1 363 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 98.83 -6.244343 -17.363426 -6.1150637 1 364 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 98.44 -6.516322 -17.220573 -7.604525 1 365 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 98.05 -7.2949414 -16.360268 -8.013366 1 366 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 98.44 -7.5387473 -17.315964 -5.3085318 1 367 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 96.88 -8.3691 -18.566353 -5.450685 1 368 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 93.75 -8.549272 -19.085144 -6.53964 1 369 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 93.75 -8.90225 -19.039139 -4.3176117 1 370 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 98.44 -5.862009 -18.056725 -8.42268 1 371 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 98.44 -5.987896 -17.907589 -9.85709 1 372 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 98.83 -5.432474 -16.571503 -10.305685 1 373 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 98.44 -4.2963443 -16.224117 -9.986124 1 374 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 98.44 -6.2478056 -15.80513 -10.999548 1 375 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 98.44 -5.8505745 -14.488514 -11.477137 1 376 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 98.83 -6.0715117 -13.388559 -10.447834 1 377 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 98.44 -5.6325965 -12.260593 -10.656227 1 378 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 98.44 -6.6312866 -14.118114 -12.741892 1 379 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 96.88 -6.3035703 -14.995579 -13.928577 1 380 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 96.48 -5.1310406 -15.39798 -14.06991 1 381 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 96.09 -7.218382 -15.263555 -14.731355 1 382 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 98.44 -6.749261 -13.704705 -9.341181 1 383 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 98.83 -7.1731367 -12.686233 -8.393572 1 384 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 98.83 -6.1642413 -12.553121 -7.2576146 1 385 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 98.83 -5.908558 -13.509647 -6.52137 1 386 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 98.83 -8.566414 -13.000544 -7.816946 1 387 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 98.44 -8.980819 -11.938402 -6.8154287 1 388 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 98.44 -9.586213 -13.104803 -8.945454 1 389 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 98.83 -5.609701 -11.35586 -7.135557 1 390 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 98.44 -4.7113504 -11.0218315 -6.0422297 1 391 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 98.83 -5.517887 -10.258033 -4.99807 1 392 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 98.83 -6.287279 -9.364941 -5.3423605 1 393 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 98.83 -3.5311453 -10.158474 -6.535804 1 394 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 98.83 -2.7773147 -10.877707 -7.6526337 1 395 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 98.83 -2.602191 -9.812695 -5.376351 1 396 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 97.66 -1.806141 -9.975368 -8.409525 1 397 +ATOM N N . THR A0 1 54 . 54 THR A0 N 98.83 -5.3256245 -10.602596 -3.7335734 1 398 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 98.83 -6.000231 -9.907281 -2.645232 1 399 +ATOM C C . THR A0 1 54 . 54 THR A0 C 98.83 -4.961565 -9.307321 -1.7086663 1 400 +ATOM O O . THR A0 1 54 . 54 THR A0 O 98.44 -3.999013 -9.981582 -1.3248496 1 401 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 98.83 -6.9212904 -10.858349 -1.8644477 1 402 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 98.83 -7.9262633 -11.36974 -2.7420056 1 403 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 98.83 -7.594351 -10.136641 -0.69780576 1 404 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 98.83 -5.1472425 -8.032179 -1.3720214 1 405 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 98.83 -4.3219547 -7.380205 -0.36648142 1 406 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 98.83 -5.247361 -6.902218 0.74200195 1 407 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 98.83 -6.135303 -6.084551 0.5068675 1 408 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 98.83 -3.514506 -6.193047 -0.9337064 1 409 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 98.44 -2.656292 -6.6409063 -2.1180544 1 410 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 98.83 -2.6318758 -5.5860443 0.16778253 1 411 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 98.05 -1.853725 -5.5262847 -2.7683434 1 412 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 98.44 -5.0382953 -7.450863 1.9178408 1 413 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 98.83 -5.8510146 -7.1246514 3.0784354 1 414 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 98.83 -4.973803 -6.4201894 4.0953383 1 415 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 98.44 -3.8757153 -6.8886104 4.4087715 1 416 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 98.44 -6.4362383 -8.408099 3.6743846 1 417 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 98.05 -7.330428 -8.215487 4.8801312 1 418 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 97.66 -7.9048815 -9.562571 5.305258 1 419 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 96.09 -8.805397 -9.438646 6.527155 1 420 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 94.53 -9.368727 -10.764996 6.8972816 1 421 +ATOM N N . THR A0 1 57 . 57 THR A0 N 98.83 -5.430605 -5.2829585 4.5687504 1 422 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 98.83 -4.698621 -4.537871 5.5811357 1 423 +ATOM C C . THR A0 1 57 . 57 THR A0 C 98.44 -5.539519 -4.471901 6.8509817 1 424 +ATOM O O . THR A0 1 57 . 57 THR A0 O 98.44 -6.7119617 -4.096052 6.8023763 1 425 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 98.44 -4.3585987 -3.1137238 5.0983725 1 426 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 97.27 -3.5556297 -3.1932712 3.9287634 1 427 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 97.66 -3.6133232 -2.3453877 6.1813693 1 428 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 98.83 -4.9469337 -4.8647585 7.9476247 1 429 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 98.44 -5.626644 -4.8652306 9.230476 1 430 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 98.83 -4.86429 -4.0002227 10.220878 1 431 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 98.44 -3.6421833 -4.1118693 10.339001 1 432 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 98.05 -5.7513504 -6.2887344 9.777409 1 433 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 97.66 -6.586356 -7.1913314 8.893845 1 434 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 98.05 -6.7452855 -8.59177 9.464661 1 435 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 96.88 -7.6930065 -9.293796 9.04557 1 436 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 97.27 -5.9312897 -8.98599 10.327132 1 437 +ATOM N N . SER A0 1 59 . 59 SER A0 N 98.44 -5.5590405 -3.1439834 10.901961 1 438 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 98.05 -4.9730453 -2.326845 11.956665 1 439 +ATOM C C . SER A0 1 59 . 59 SER A0 C 98.44 -6.0035906 -2.1377614 13.047172 1 440 +ATOM O O . SER A0 1 59 . 59 SER A0 O 97.66 -7.1840067 -2.4380412 12.8619175 1 441 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 97.66 -4.501667 -0.9743041 11.420902 1 442 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 96.09 -5.5955963 -0.094863966 11.215203 1 443 +ATOM N N . THR A0 1 60 . 60 THR A0 N 98.44 -5.5647154 -1.6279359 14.151589 1 444 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 98.44 -6.4882727 -1.3955557 15.254689 1 445 +ATOM C C . THR A0 1 60 . 60 THR A0 C 98.05 -7.568412 -0.3893781 14.889353 1 446 +ATOM O O . THR A0 1 60 . 60 THR A0 O 96.88 -8.677005 -0.4516806 15.42468 1 447 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 98.05 -5.73026 -0.91659594 16.510303 1 448 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 96.88 -4.9442425 0.22967526 16.18132 1 449 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 96.88 -4.8110685 -2.0090904 17.03481 1 450 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 97.27 -7.2570324 0.512964 13.97096 1 451 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 98.05 -8.1934395 1.5973701 13.677929 1 452 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 98.05 -8.92756 1.4724038 12.344777 1 453 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 97.27 -9.963823 2.1209474 12.169183 1 454 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 97.27 -7.4633045 2.9433455 13.744705 1 455 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 96.88 -6.8849106 3.2580686 15.13536 1 456 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 96.09 -6.125249 4.577811 15.118198 1 457 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 96.09 -7.985053 3.3049488 16.194298 1 458 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 98.44 -8.431637 0.64241874 11.416256 1 459 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 98.05 -9.11517 0.492942 10.136746 1 460 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 98.44 -8.67071 -0.769706 9.418108 1 461 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 97.66 -7.4770384 -1.075308 9.3677435 1 462 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 98.05 -8.859681 1.7118211 9.244715 1 463 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 96.09 -9.680897 1.7650506 7.9692087 1 464 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 95.31 -11.154381 2.012357 8.243961 1 465 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 94.53 -11.9165 2.2141361 6.940036 1 466 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 92.97 -13.346733 2.4758067 7.1981854 1 467 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 98.44 -9.625645 -1.4807727 8.850723 1 468 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 98.44 -9.35331 -2.6296895 7.9980974 1 469 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 98.44 -9.789767 -2.3008084 6.5791693 1 470 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 98.05 -10.86921 -1.7405405 6.372924 1 471 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 98.44 -10.106047 -3.866555 8.468071 1 472 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 98.05 -9.693614 -4.3128037 9.849596 1 473 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 97.27 -8.571272 -4.08689 10.288451 1 474 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 97.27 -10.60911 -4.968395 10.545879 1 475 +ATOM N N . THR A0 1 64 . 64 THR A0 N 98.44 -8.960065 -2.6405087 5.6095886 1 476 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 98.83 -9.321527 -2.4956508 4.208645 1 477 +ATOM C C . THR A0 1 64 . 64 THR A0 C 98.44 -8.944044 -3.76419 3.4625134 1 478 +ATOM O O . THR A0 1 64 . 64 THR A0 O 98.83 -8.092266 -4.537076 3.9079263 1 479 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 98.44 -8.630848 -1.2896771 3.535276 1 480 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 96.88 -7.220009 -1.4530871 3.592567 1 481 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 96.88 -9.028724 0.009731475 4.2096148 1 482 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 98.83 -9.588977 -3.9696827 2.325031 1 483 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 98.83 -9.272616 -5.1270256 1.5010284 1 484 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 98.44 -9.571119 -4.807106 0.047069564 1 485 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 98.83 -10.619792 -4.2377353 -0.26269823 1 486 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 98.44 -10.090708 -6.345076 1.9365203 1 487 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 98.05 -9.801125 -7.588456 1.1247983 1 488 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 98.05 -10.541736 -8.813735 1.6436808 1 489 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 97.66 -10.996712 -8.793418 2.8095772 1 490 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 97.66 -10.666851 -9.802383 0.886436 1 491 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 98.83 -8.643622 -5.1788383 -0.83438116 1 492 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 98.83 -8.891289 -5.0857267 -2.2611165 1 493 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 98.83 -8.578469 -6.415168 -2.9156356 1 494 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 98.83 -7.668169 -7.13319 -2.5036368 1 495 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 98.44 -8.078179 -3.9547808 -2.9436078 1 496 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 98.44 -6.573927 -4.1469917 -2.7316542 1 497 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 98.44 -8.562267 -2.5939364 -2.4836788 1 498 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 98.44 -5.699009 -3.1886716 -3.544088 1 499 +ATOM N N . SER A0 1 67 . 67 SER A0 N 98.83 -9.369425 -6.7766194 -3.9120984 1 500 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 98.83 -9.0980215 -7.929059 -4.761107 1 501 +ATOM C C . SER A0 1 67 . 67 SER A0 C 98.83 -9.136439 -7.4489713 -6.2022023 1 502 +ATOM O O . SER A0 1 67 . 67 SER A0 O 98.83 -10.018454 -6.675386 -6.5837636 1 503 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 98.83 -10.128615 -9.034191 -4.5471525 1 504 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 97.66 -9.960882 -9.652725 -3.288606 1 505 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 98.83 -8.199303 -7.9136133 -7.0000143 1 506 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 98.83 -8.069042 -7.3639565 -8.343096 1 507 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 98.83 -7.345748 -8.335369 -9.261496 1 508 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 98.83 -6.7137413 -9.29359 -8.81057 1 509 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 98.83 -7.29945 -6.029737 -8.297481 1 510 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 98.83 -5.948029 -6.1547365 -7.6541796 1 511 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 98.83 -5.809471 -6.030649 -6.27537 1 512 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 98.83 -4.821439 -6.417334 -8.4026165 1 513 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 98.83 -4.565379 -6.1727257 -5.6709776 1 514 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 98.83 -3.5853481 -6.553835 -7.8034616 1 515 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 98.83 -3.462202 -6.4304657 -6.4375834 1 516 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 98.83 -7.457331 -8.063529 -10.533182 1 517 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 98.83 -6.7113566 -8.758726 -11.572314 1 518 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 98.83 -5.744322 -7.7506886 -12.17843 1 519 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 98.83 -6.1118913 -6.6006374 -12.419748 1 520 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 98.83 -7.6663713 -9.323889 -12.645575 1 521 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 98.44 -8.566174 -10.4056835 -12.034876 1 522 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 98.83 -6.8910356 -9.8740635 -13.839105 1 523 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 96.09 -9.704699 -10.846117 -12.942373 1 524 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 98.83 -4.514556 -8.166827 -12.399836 1 525 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 98.44 -3.508268 -7.2504663 -12.93456 1 526 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 98.83 -3.9911373 -6.593506 -14.227955 1 527 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 98.44 -4.4998264 -7.2677145 -15.126307 1 528 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 98.83 -2.1887674 -7.985294 -13.185144 1 529 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 98.83 -1.4500287 -8.478241 -11.9467945 1 530 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 98.44 -0.27241433 -9.350834 -12.365181 1 531 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 98.44 -0.98256165 -7.30674 -11.094139 1 532 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 98.83 -3.82841 -5.282172 -14.286169 1 533 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 98.83 -4.1853275 -4.5153685 -15.462312 1 534 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 98.83 -5.6490955 -4.1531506 -15.587341 1 535 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 98.83 -6.015586 -3.4451296 -16.527824 1 536 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 98.83 -6.4830494 -4.6147385 -14.644728 1 537 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 98.44 -7.9235535 -4.3888264 -14.726553 1 538 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 98.83 -8.342976 -3.3622465 -13.680741 1 539 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 98.83 -8.1824045 -3.5859063 -12.473696 1 540 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 98.83 -8.675483 -5.7027755 -14.522366 1 541 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 97.27 -8.218731 -6.8196654 -15.463541 1 542 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 97.27 -8.517514 -6.5198517 -16.918684 1 543 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 96.09 -9.555192 -5.955019 -17.249508 1 544 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 96.48 -7.5960536 -6.8873234 -17.800121 1 545 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 98.83 -8.897051 -2.2371407 -14.126749 1 546 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 98.83 -9.28009 -1.1610544 -13.2280655 1 547 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 98.83 -10.419457 -1.5849926 -12.314768 1 548 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 98.83 -11.333715 -2.3020785 -12.730473 1 549 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 98.44 -9.687344 0.07171306 -14.036396 1 550 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 97.66 -9.925737 1.3202668 -13.203558 1 551 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 98.44 -10.173162 2.5327892 -14.077532 1 552 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 97.66 -9.3657055 3.4863882 -14.015875 1 553 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 97.27 -11.178494 2.5218344 -14.813053 1 554 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 98.83 -10.365926 -1.1386555 -11.048482 1 555 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 98.83 -11.407339 -1.4676883 -10.081396 1 556 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 98.83 -11.677973 -0.28281665 -9.173954 1 557 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 98.83 -10.877733 0.6478535 -9.082623 1 558 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 98.83 -11.022248 -2.70621 -9.257865 1 559 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 98.83 -9.754021 -2.5486035 -8.461047 1 560 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 98.83 -8.51961 -2.7739863 -9.05805 1 561 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 98.83 -9.78513 -2.18434 -7.1231966 1 562 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 98.83 -7.3405 -2.6312902 -8.324851 1 563 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 98.83 -8.616201 -2.0429032 -6.3925266 1 564 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 98.83 -7.3935585 -2.2713966 -6.9990196 1 565 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 98.83 -12.8252735 -0.32792324 -8.5077095 1 566 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 98.83 -13.198196 0.7122454 -7.555701 1 567 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 98.83 -12.6121025 0.3879151 -6.192277 1 568 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 98.83 -12.6812525 -0.75521594 -5.729658 1 569 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 98.44 -14.717535 0.82089543 -7.4341583 1 570 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 97.27 -15.379444 1.2584512 -8.726475 1 571 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 97.27 -14.9722185 2.301127 -9.278412 1 572 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 97.66 -16.307056 0.5621389 -9.169079 1 573 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 98.83 -12.050563 1.4051163 -5.5450125 1 574 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 98.83 -11.467969 1.2327756 -4.227927 1 575 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 98.83 -11.926888 2.3532932 -3.3224654 1 576 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 98.83 -11.935873 3.5168958 -3.7327151 1 577 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 98.83 -9.934418 1.2406266 -4.3280125 1 578 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 98.44 -9.222051 1.1464422 -2.9787097 1 579 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 98.83 -7.712277 1.2313046 -3.0957563 1 580 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 98.83 -7.2004495 1.458266 -4.213467 1 581 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 98.44 -7.021791 1.083063 -2.0535674 1 582 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 98.83 -12.306339 2.0269685 -2.0949016 1 583 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 98.44 -12.482099 3.023826 -1.0425024 1 584 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 98.83 -11.272909 2.9124057 -0.1267832 1 585 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 98.44 -11.029661 1.8693894 0.47627422 1 586 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 98.83 -13.783637 2.814602 -0.24391213 1 587 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 97.27 -13.893061 3.8723803 0.8469666 1 588 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 97.27 -14.988822 2.8872218 -1.1822777 1 589 +ATOM N N . THR A0 1 78 . 78 THR A0 N 98.83 -10.50164 3.9966528 -0.05552479 1 590 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 98.83 -9.24931 3.9783092 0.6901756 1 591 +ATOM C C . THR A0 1 78 . 78 THR A0 C 98.83 -9.49281 4.107875 2.1947916 1 592 +ATOM O O . THR A0 1 78 . 78 THR A0 O 98.83 -10.607826 4.416069 2.632833 1 593 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 98.83 -8.3129225 5.107419 0.2253576 1 594 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 98.83 -8.915886 6.3624063 0.54397357 1 595 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 98.83 -8.065739 5.016924 -1.2783285 1 596 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 98.83 -8.4322605 3.8978825 2.9740462 1 597 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 98.44 -8.55775 4.00288 4.426011 1 598 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 98.44 -9.0096655 5.396227 4.856418 1 599 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 98.44 -9.684933 5.540414 5.878225 1 600 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 98.83 -7.2372546 3.6464849 5.1015086 1 601 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 98.83 -8.641573 6.410348 4.0875516 1 602 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 98.83 -9.062123 7.782607 4.360682 1 603 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 98.83 -10.338961 8.160176 3.6194458 1 604 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 98.44 -10.667845 9.345804 3.5076706 1 605 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 98.44 -7.9394727 8.780203 4.033989 1 606 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 98.83 -7.483903 8.730036 2.5960908 1 607 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 98.44 -7.185768 7.6098623 2.0966563 1 608 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 98.44 -7.3848233 9.807907 1.9575408 1 609 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 98.44 -11.0533695 7.1668787 3.1059577 1 610 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 98.83 -12.382261 7.320758 2.5267801 1 611 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 98.83 -12.416528 8.070874 1.1955347 1 612 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 98.83 -13.444102 8.643263 0.83110774 1 613 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 98.83 -13.342981 7.971546 3.535651 1 614 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 98.44 -13.5235 7.1348104 4.7809954 1 615 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 98.44 -13.721341 5.9049077 4.6493692 1 616 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 98.05 -13.465931 7.6916056 5.892184 1 617 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 98.83 -11.316895 8.059829 0.44463137 1 618 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 98.83 -11.378562 8.494336 -0.938102 1 619 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 98.83 -11.975832 7.3753557 -1.7758741 1 620 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 98.83 -11.677332 6.192821 -1.5657872 1 621 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 98.83 -9.991172 8.837211 -1.4937563 1 622 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 98.44 -9.37031 10.104158 -0.9722941 1 623 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 98.44 -7.896347 10.185185 -1.4105024 1 624 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 98.44 -7.105033 9.217527 -0.6561092 1 625 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 98.83 -6.2019873 8.3906 -1.1866609 1 626 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 98.44 -5.9584303 8.4281225 -2.4866345 1 627 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 98.44 -5.551209 7.5370913 -0.40072325 1 628 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 98.83 -12.800138 7.7591705 -2.7058291 1 629 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 98.83 -13.312239 6.813426 -3.6893277 1 630 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 98.83 -12.4825325 6.971246 -4.949621 1 631 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 98.83 -12.559658 7.998447 -5.625466 1 632 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 98.83 -14.792189 7.0816975 -3.9674315 1 633 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 97.66 -15.678408 6.961268 -2.7387624 1 634 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 96.88 -17.12186 7.320709 -3.0680003 1 635 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 96.48 -18.001633 7.229641 -1.8261721 1 636 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 95.7 -19.420586 7.565649 -2.137395 1 637 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 98.83 -11.667222 5.9688454 -5.2383337 1 638 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 98.83 -10.713121 6.0783978 -6.3362536 1 639 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 98.83 -10.906233 4.954412 -7.347297 1 640 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 98.83 -11.496073 3.916234 -7.0514736 1 641 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 98.83 -9.247146 6.0662336 -5.830393 1 642 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 98.44 -9.044422 7.124687 -4.7476864 1 643 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 98.44 -8.862245 4.681468 -5.3093953 1 644 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 98.83 -10.410132 5.192523 -8.535941 1 645 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 98.83 -10.257309 4.1418552 -9.535522 1 646 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 98.83 -8.814676 3.6663222 -9.466129 1 647 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 98.83 -7.8910356 4.468796 -9.614579 1 648 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 98.83 -10.556778 4.6671267 -10.936367 1 649 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 97.66 -11.976971 5.1501393 -11.152119 1 650 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 97.66 -12.955405 3.9913974 -11.19347 1 651 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 96.09 -14.365383 4.4730263 -11.54089 1 652 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 94.92 -15.308008 3.3482385 -11.575125 1 653 +ATOM N N . SER A0 1 86 . 86 SER A0 N 98.83 -8.610197 2.3894482 -9.208752 1 654 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 98.83 -7.270626 1.83126 -9.069198 1 655 +ATOM C C . SER A0 1 86 . 86 SER A0 C 98.83 -6.968364 0.84004676 -10.183046 1 656 +ATOM O O . SER A0 1 86 . 86 SER A0 O 98.83 -7.8406534 0.077081874 -10.604296 1 657 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 98.44 -7.111804 1.120723 -7.721588 1 658 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 95.7 -7.0328684 2.0498881 -6.6492314 1 659 +ATOM N N . THR A0 1 87 . 87 THR A0 N 98.83 -5.7458553 0.8653661 -10.648697 1 660 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 98.83 -5.2388625 -0.15656903 -11.554715 1 661 +ATOM C C . THR A0 1 87 . 87 THR A0 C 98.83 -3.887371 -0.60469747 -11.028275 1 662 +ATOM O O . THR A0 1 87 . 87 THR A0 O 98.83 -3.047451 0.23192099 -10.69071 1 663 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 98.83 -5.0827637 0.3640285 -12.994135 1 664 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 98.05 -6.302815 0.9622612 -13.436391 1 665 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 98.05 -4.7270913 -0.7850767 -13.938974 1 666 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 98.83 -3.689881 -1.9096493 -10.945692 1 667 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 98.83 -2.4286695 -2.4553761 -10.460792 1 668 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 98.83 -1.8431567 -3.348384 -11.544958 1 669 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 98.83 -2.5319366 -4.1994276 -12.099461 1 670 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 98.83 -2.6163163 -3.2385266 -9.146295 1 671 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 98.83 -3.2765899 -2.3414655 -8.093547 1 672 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 98.83 -1.2718117 -3.7621717 -8.646765 1 673 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 98.44 -3.5463386 -3.0216622 -6.759901 1 674 +ATOM N N . THR A0 1 89 . 89 THR A0 N 98.83 -0.5753196 -3.1196263 -11.833482 1 675 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 98.83 0.14299816 -3.8741426 -12.855534 1 676 +ATOM C C . THR A0 1 89 . 89 THR A0 C 98.83 1.4484818 -4.400648 -12.274112 1 677 +ATOM O O . THR A0 1 89 . 89 THR A0 O 98.83 1.8742684 -3.9792879 -11.1920805 1 678 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 98.83 0.45333666 -2.9983857 -14.084591 1 679 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 98.44 1.1638489 -1.8405823 -13.669869 1 680 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 98.83 -0.8358093 -2.5823865 -14.788542 1 681 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 98.83 2.0689273 -5.3150005 -12.988066 1 682 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 98.44 3.4192219 -5.7497425 -12.667013 1 683 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 98.44 4.3900046 -5.070856 -13.618591 1 684 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 98.44 4.204601 -5.1261015 -14.8387985 1 685 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 98.44 3.5684705 -7.2579727 -12.827547 1 686 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 97.66 3.4251075 -8.155714 -11.614813 1 687 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 97.66 3.7201767 -9.587206 -12.040245 1 688 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 97.66 4.342278 -7.7451105 -10.478099 1 689 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 98.83 5.394254 -4.413845 -13.064598 1 690 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 98.44 6.445952 -3.7607074 -13.837577 1 691 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 98.44 7.780574 -4.3143005 -13.341636 1 692 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 98.44 8.321356 -3.8581696 -12.334891 1 693 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 98.44 6.382948 -2.2375321 -13.653577 1 694 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 98.05 7.53065 -1.5288285 -14.34855 1 695 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 97.66 8.121966 -2.1129231 -15.287134 1 696 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 96.88 7.842152 -0.377919 -13.961565 1 697 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 98.83 8.283291 -5.330396 -14.035252 1 698 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 98.44 9.549924 -5.926878 -13.643549 1 699 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 98.83 9.553912 -6.4362316 -12.218046 1 700 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 98.44 10.503164 -6.162176 -11.4676895 1 701 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 98.44 8.551598 -7.153839 -11.824407 1 702 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 98.83 8.473986 -7.7240696 -10.489735 1 703 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 98.83 7.94637 -6.790447 -9.425465 1 704 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 98.83 7.8038464 -7.2101974 -8.2719345 1 705 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 98.83 7.660117 -5.5423794 -9.77368 1 706 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 98.83 7.1331058 -4.5673933 -8.828129 1 707 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 98.83 5.6436024 -4.385573 -9.084064 1 708 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 98.83 5.229809 -4.13165 -10.221891 1 709 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 98.83 7.8584867 -3.2048392 -8.960419 1 710 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 98.83 7.2737164 -2.1874185 -7.987483 1 711 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 98.44 9.36081 -3.3795989 -8.727411 1 712 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 98.83 4.8413734 -4.5016346 -8.032757 1 713 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 98.44 3.4214702 -4.214097 -8.140066 1 714 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 98.83 3.2310817 -2.700327 -8.121403 1 715 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 98.44 3.606991 -2.0339923 -7.154025 1 716 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 98.44 2.6476688 -4.8480988 -6.9872885 1 717 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 98.44 2.4037676 -6.3435907 -7.066198 1 718 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 98.44 1.8758795 -6.861818 -5.7363205 1 719 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 98.44 1.408637 -6.6625304 -8.17832 1 720 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 98.83 2.6700153 -2.168596 -9.187618 1 721 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 98.83 2.5035303 -0.7241814 -9.328344 1 722 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 98.83 1.0200827 -0.39197934 -9.3465185 1 723 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 98.83 0.2883509 -0.81090355 -10.252907 1 724 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 98.83 3.168984 -0.20413987 -10.620457 1 725 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 98.44 2.96949 1.2962856 -10.749773 1 726 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 98.83 4.6551456 -0.56659836 -10.631569 1 727 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 98.83 0.59004754 0.3624128 -8.341038 1 728 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 98.83 -0.80026853 0.7586926 -8.209024 1 729 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 98.83 -0.95156455 2.2422004 -8.481451 1 730 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 98.83 -0.25595427 3.0624168 -7.8800106 1 731 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 98.83 -1.3057764 0.44076794 -6.8053465 1 732 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 98.83 -2.7322717 0.9070041 -6.538924 1 733 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 98.83 -3.1687174 0.6446621 -5.11796 1 734 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 98.44 -2.3546476 0.33359712 -4.243106 1 735 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 98.83 -4.4671383 0.7708317 -4.8582706 1 736 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 98.44 -1.8325751 2.57531 -9.396633 1 737 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 98.83 -2.1727545 3.970961 -9.642054 1 738 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 98.44 -3.6128044 4.189698 -9.210154 1 739 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 98.83 -4.515231 3.4500551 -9.627437 1 740 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 98.83 -2.0027404 4.347458 -11.132012 1 741 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 96.09 -2.372981 5.8114624 -11.351318 1 742 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 95.31 -0.5677755 4.0799923 -11.579433 1 743 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 98.83 -3.8155138 5.176381 -8.347269 1 744 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 98.83 -5.1464863 5.580943 -7.9111567 1 745 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 98.83 -5.4898863 6.903816 -8.568453 1 746 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 98.83 -4.672561 7.8350983 -8.557835 1 747 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 98.83 -5.211484 5.753626 -6.393903 1 748 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 98.83 -4.9792695 4.475462 -5.6111927 1 749 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 98.83 -4.9405923 4.728606 -4.1208715 1 750 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 98.83 -4.6860843 5.848924 -3.6655 1 751 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 98.83 -5.17125 3.6851432 -3.3202229 1 752 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 98.83 -6.680748 7.0110655 -9.114445 1 753 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 98.83 -7.1312113 8.248707 -9.744126 1 754 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 98.83 -8.451317 8.6824 -9.125456 1 755 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 98.83 -9.35796 7.8570557 -8.956289 1 756 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 98.83 -7.29552 8.067958 -11.263592 1 757 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 98.44 -6.006299 7.7396774 -11.990389 1 758 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 97.66 -6.238909 7.639805 -13.4911175 1 759 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 97.27 -4.942129 7.3398066 -14.231728 1 760 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 96.09 -5.1655893 7.190531 -15.691898 1 761 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 98.44 -8.54924 9.9582405 -8.818289 1 762 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 98.44 -9.785093 10.525103 -8.286875 1 763 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 98.83 -9.756161 12.044825 -8.45249 1 764 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 98.83 -8.723476 12.686982 -8.269272 1 765 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 98.83 -9.978972 10.145685 -6.8096395 1 766 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 98.83 -9.113741 10.923338 -5.8498907 1 767 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 98.83 -9.539702 11.9506 -5.041617 1 768 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 98.83 -7.7145514 10.798618 -5.6150904 1 769 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 98.83 -8.474947 12.447537 -4.3117247 1 770 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 98.83 -7.354174 11.745436 -4.649004 1 771 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 98.83 -6.733133 9.937424 -6.1344957 1 772 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 98.83 -6.0375338 11.886226 -4.185989 1 773 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 98.83 -5.4291697 10.070327 -5.6690674 1 774 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 98.83 -5.102675 11.026371 -4.7149324 1 775 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 98.83 -10.866272 12.631049 -8.792158 1 776 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 98.83 -11.041082 14.081914 -8.871044 1 777 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 98.83 -9.893499 14.780191 -9.610118 1 778 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 98.44 -9.434408 15.8520565 -9.2055645 1 779 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 98.83 -11.185574 14.687811 -7.4662027 1 780 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 98.05 -12.439337 14.223751 -6.754566 1 781 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 97.66 -13.452269 13.947311 -7.449068 1 782 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 97.66 -12.42791 14.143436 -5.512807 1 783 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 98.83 -9.432516 14.214184 -10.704906 1 784 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 98.83 -8.360502 14.797426 -11.489326 1 785 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 98.83 -6.986885 14.665886 -10.875455 1 786 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 98.44 -6.0268593 15.235285 -11.404404 1 787 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 98.83 -6.879593 13.937202 -9.761644 1 788 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 98.83 -5.604993 13.72481 -9.082743 1 789 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 98.83 -5.171299 12.276667 -9.251675 1 790 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 98.83 -5.963191 11.414282 -9.644596 1 791 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 98.83 -5.7326736 14.04999 -7.58941 1 792 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 98.83 -6.2809944 15.430199 -7.2758446 1 793 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 98.83 -6.593669 15.552719 -5.793265 1 794 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 98.83 -7.3792987 16.820534 -5.4920444 1 795 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 98.44 -7.7688885 16.866596 -4.060247 1 796 +ATOM N N . SER A0 1 105 . 105 SER A0 N 98.83 -3.9132695 12.019619 -8.933132 1 797 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 98.83 -3.4406538 10.641714 -8.956268 1 798 +ATOM C C . SER A0 1 105 . 105 SER A0 C 98.83 -2.308712 10.454781 -7.957417 1 799 +ATOM O O . SER A0 1 105 . 105 SER A0 O 98.83 -1.6031902 11.403993 -7.607835 1 800 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 98.44 -2.9775329 10.230965 -10.359135 1 801 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 96.88 -1.7759631 10.885867 -10.720547 1 802 +ATOM N N . THR A0 1 106 . 106 THR A0 N 98.83 -2.1740417 9.246132 -7.488172 1 803 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 98.83 -1.0582508 8.871515 -6.627008 1 804 +ATOM C C . THR A0 1 106 . 106 THR A0 C 98.83 -0.62451667 7.4747486 -7.0277824 1 805 +ATOM O O . THR A0 1 106 . 106 THR A0 O 98.44 -1.4466507 6.6678133 -7.4931784 1 806 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 98.83 -1.4369326 8.93885 -5.126872 1 807 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 98.83 -0.2726547 8.708579 -4.322768 1 808 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 98.83 -2.5048978 7.9062934 -4.768032 1 809 +ATOM N N . THR A0 1 107 . 107 THR A0 N 98.44 0.66625017 7.1824107 -6.870039 1 810 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 98.83 1.191407 5.87899 -7.2383957 1 811 +ATOM C C . THR A0 1 107 . 107 THR A0 C 98.83 1.8001853 5.1984224 -6.0181584 1 812 +ATOM O O . THR A0 1 107 . 107 THR A0 O 98.83 2.5452714 5.8251276 -5.254848 1 813 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 98.83 2.251539 6.0030456 -8.350801 1 814 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 98.05 1.6243193 6.5126095 -9.52883 1 815 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 98.44 2.8585722 4.632498 -8.679027 1 816 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 98.83 1.467598 3.9278173 -5.8453712 1 817 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 98.83 1.9875363 3.1156476 -4.7538195 1 818 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 98.83 2.686139 1.9016614 -5.3615627 1 819 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 98.83 2.0608113 1.1283994 -6.097518 1 820 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 98.83 0.8564534 2.658515 -3.8128629 1 821 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 98.44 0.1227894 3.8711507 -3.22469 1 822 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 98.83 1.4065677 1.7582595 -2.7118497 1 823 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 98.44 -1.259495 3.531493 -2.683358 1 824 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 98.83 3.9756534 1.7642404 -5.0759006 1 825 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 98.83 4.739532 0.6214378 -5.566679 1 826 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 98.83 5.0683513 -0.31399453 -4.414506 1 827 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 98.83 5.4827585 0.14627826 -3.3386984 1 828 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 98.83 6.0430675 1.0793583 -6.243048 1 829 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 98.83 5.830944 1.8523648 -7.5252185 1 830 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 98.44 7.181921 2.2606049 -8.120926 1 831 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 98.05 6.99094 2.9640715 -9.462399 1 832 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 97.27 8.288948 3.3542912 -10.046024 1 833 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 98.83 4.8888426 -1.5967705 -4.636264 1 834 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 98.83 5.212961 -2.606944 -3.6442375 1 835 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 98.83 6.2409234 -3.541504 -4.243596 1 836 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 98.83 6.0255566 -4.10961 -5.321565 1 837 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 98.83 3.9534125 -3.369547 -3.2270787 1 838 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 98.44 2.8985348 -2.479379 -2.5672803 1 839 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 98.44 1.6368392 -3.2618785 -2.2141972 1 840 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 98.05 0.660202 -2.4422572 -1.4743328 1 841 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 98.44 -0.3095699 -1.7278522 -2.070631 1 842 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 98.05 -0.43257898 -1.7150828 -3.3991423 1 843 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 98.05 -1.1377532 -1.0091634 -1.3283963 1 844 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 98.83 7.37696 -3.6996717 -3.5794797 1 845 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 98.83 8.455962 -4.5249796 -4.10009 1 846 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 98.44 9.102562 -5.3360724 -2.989658 1 847 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 98.83 9.068378 -4.954259 -1.8203261 1 848 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 98.44 9.5238285 -3.656279 -4.7836094 1 849 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 95.7 10.272202 -2.7168698 -3.8298194 1 850 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 95.31 11.33047 -1.9160241 -4.5842466 1 851 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 93.36 12.037862 -0.9521133 -3.637127 1 852 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 91.8 13.088337 -0.18019553 -4.3272247 1 853 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 98.83 9.687483 -6.445256 -3.382484 1 854 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 98.83 10.490831 -7.226879 -2.4562328 1 855 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 98.83 11.925272 -6.733871 -2.518722 1 856 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 98.44 12.487915 -6.571493 -3.6171246 1 857 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 98.83 10.416388 -8.711859 -2.8075337 1 858 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 98.05 9.131277 -9.41445 -2.4069402 1 859 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 97.27 9.020575 -9.563115 -0.8967773 1 860 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 97.66 10.262426 -10.016121 -0.27563107 1 861 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 97.66 10.65793 -11.2865505 -0.19779944 1 862 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 97.27 9.890606 -12.243992 -0.6929263 1 863 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 97.27 11.814982 -11.569213 0.38212094 1 864 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 98.83 12.489527 -6.482862 -1.354748 1 865 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 98.44 13.885947 -6.092812 -1.2389044 1 866 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 98.83 14.464028 -6.8416414 -0.046124674 1 867 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 98.44 13.999569 -6.6762877 1.0816152 1 868 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 98.44 14.000364 -4.575763 -1.0463943 1 869 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 97.66 15.420868 -4.0810146 -0.8518685 1 870 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 98.05 15.499651 -2.5917447 -0.66385555 1 871 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 97.27 15.027553 -1.8426057 -1.5395591 1 872 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 96.88 16.014053 -2.1492987 0.38882014 1 873 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 98.44 15.466541 -7.662263 -0.31808966 1 874 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 98.44 15.972363 -8.569673 0.70288026 1 875 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 98.83 14.809544 -9.371388 1.2630315 1 876 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 98.44 14.048554 -9.955378 0.488866 1 877 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 98.44 16.746113 -7.794608 1.7879695 1 878 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 98.05 17.988543 -7.1034203 1.2388675 1 879 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 97.66 18.515423 -7.5682964 0.21256873 1 880 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 97.66 18.431572 -6.102643 1.8342346 1 881 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 98.83 14.629535 -9.404365 2.5753083 1 882 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 98.44 13.506688 -10.122888 3.1693864 1 883 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 98.83 12.343598 -9.196972 3.4946122 1 884 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 98.44 11.443141 -9.579178 4.242325 1 885 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 98.44 13.950487 -10.8482 4.4451194 1 886 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 98.05 14.927689 -11.9607525 4.1638937 1 887 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 97.27 14.670492 -12.76147 3.2281551 1 888 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 97.27 15.952572 -12.046045 4.8651166 1 889 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 98.83 12.349911 -8.001223 2.9185123 1 890 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 98.83 11.34951 -6.9920454 3.2397661 1 891 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 98.83 10.382328 -6.780508 2.0854852 1 892 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 98.83 10.681053 -7.07974 0.91866356 1 893 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 98.44 12.036097 -5.658378 3.5895772 1 894 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 98.44 13.034614 -5.751228 4.7187085 1 895 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 98.05 13.690767 -4.4071245 5.012702 1 896 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 96.48 15.0066185 -4.198086 4.2900114 1 897 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 93.75 14.82235 -3.7442324 2.8657298 1 898 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 98.83 9.227133 -6.247987 2.4236684 1 899 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 98.83 8.289761 -5.7377524 1.4440355 1 900 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 98.83 8.294151 -4.2281733 1.6060481 1 901 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 98.83 7.927487 -3.7037668 2.6579661 1 902 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 98.83 6.888501 -6.313366 1.6818724 1 903 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 98.05 5.837054 -6.1402397 0.5789488 1 904 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 98.44 4.6784663 -7.096625 0.829076 1 905 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 98.44 5.335742 -4.7226267 0.47639117 1 906 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 98.83 8.756916 -3.5351076 0.5736226 1 907 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 98.83 8.910267 -2.08664 0.6254317 1 908 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 98.44 7.7941737 -1.433705 -0.17633402 1 909 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 98.83 7.5775833 -1.7816758 -1.3458135 1 910 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 98.83 10.286092 -1.650087 0.08626868 1 911 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 98.83 10.42954 -0.14404115 0.1421201 1 912 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 98.44 11.399386 -2.333519 0.8938589 1 913 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 98.83 7.102771 -0.5020576 0.47000635 1 914 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 98.83 5.9977503 0.20905645 -0.1526664 1 915 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 98.83 6.4079757 1.6625563 -0.33119076 1 916 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 98.83 6.7311764 2.34974 0.64276564 1 917 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 98.83 4.722476 0.12518024 0.719628 1 918 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 98.44 3.5521421 0.80392337 0.015213115 1 919 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 98.44 4.3845396 -1.3254433 1.0436726 1 920 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 98.83 6.42686 2.1296062 -1.5743946 1 921 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 98.83 6.79188 3.5059981 -1.8813702 1 922 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 98.83 5.5781627 4.2195864 -2.4593258 1 923 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 98.83 4.997534 3.7687855 -3.4539847 1 924 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 98.83 7.9568815 3.5531974 -2.8637207 1 925 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 94.53 9.228567 2.9306145 -2.3036892 1 926 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 93.75 10.399597 2.995908 -3.2724352 1 927 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 93.36 11.552744 3.11413 -2.7929301 1 928 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 92.58 10.1701355 2.9181366 -4.4935665 1 929 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 98.83 5.1813707 5.3008046 -1.8087392 1 930 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 98.83 3.981649 6.044032 -2.1777117 1 931 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 98.83 4.3638678 7.440319 -2.6219358 1 932 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 98.83 5.114472 8.118882 -1.9240878 1 933 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 98.83 3.0357776 6.1474514 -0.9793861 1 934 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 97.27 2.8308406 4.6618643 -0.07019063 1 935 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 98.44 3.8556094 7.878899 -3.7501235 1 936 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 98.83 4.187519 9.193972 -4.280177 1 937 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 98.83 2.9128928 9.98658 -4.5562897 1 938 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 98.44 1.9888027 9.4757595 -5.2047653 1 939 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 98.44 5.0289345 9.089653 -5.572781 1 940 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 97.27 5.3137436 10.47323 -6.135065 1 941 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 96.88 6.32319 8.3441925 -5.3058987 1 942 +ATOM N N . MET A0 1 123 . 123 MET A0 N 98.83 2.8822722 11.20175 -4.052426 1 943 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 98.44 1.8105476 12.151604 -4.340926 1 944 +ATOM C C . MET A0 1 123 . 123 MET A0 C 98.05 2.467759 13.48113 -4.6423564 1 945 +ATOM O O . MET A0 1 123 . 123 MET A0 O 96.48 3.0986028 14.069323 -3.7689612 1 946 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 98.44 0.86410284 12.272888 -3.1564832 1 947 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 98.05 -0.22915943 13.317088 -3.3416016 1 948 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 98.83 -1.4123471 12.785327 -4.5830927 1 949 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 98.05 -2.4261003 14.263403 -4.742505 1 950 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 98.44 2.3434901 13.921362 -5.8713455 1 951 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 98.05 3.0427108 15.117456 -6.3464785 1 952 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 97.27 4.5186386 15.018541 -5.981531 1 953 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 95.31 5.1666746 14.035509 -6.378832 1 954 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 97.27 2.3623757 16.376328 -5.793157 1 955 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 96.48 0.904383 16.519785 -6.2771525 1 956 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 95.7 0.29201376 17.851795 -5.889249 1 957 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 94.53 -0.08596814 17.895185 -4.4460297 1 958 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 93.75 -0.7751063 19.17673 -4.094321 1 959 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 97.66 5.0900145 15.94989 -5.2413845 1 960 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 98.05 6.5191298 15.892687 -4.9515204 1 961 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 98.44 6.9141626 15.110506 -3.7214985 1 962 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 97.27 8.104182 15.065308 -3.385477 1 963 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 98.44 5.956959 14.496611 -3.0440454 1 964 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 98.44 6.2147117 13.859449 -1.755986 1 965 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 98.83 6.290149 12.342228 -1.9079143 1 966 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 98.44 5.3986125 11.725887 -2.4997418 1 967 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 98.83 5.1280565 14.236706 -0.7299555 1 968 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 98.05 5.328185 13.4762 0.57227623 1 969 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 98.44 5.1400676 15.738304 -0.48359385 1 970 +ATOM N N . THR A0 1 127 . 127 THR A0 N 98.83 7.346312 11.753355 -1.360831 1 971 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 98.83 7.524542 10.310319 -1.3707395 1 972 +ATOM C C . THR A0 1 127 . 127 THR A0 C 98.83 7.535554 9.784405 0.05525462 1 973 +ATOM O O . THR A0 1 127 . 127 THR A0 O 98.44 8.256048 10.294629 0.912465 1 974 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 98.83 8.8364315 9.917984 -2.0708842 1 975 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 96.88 8.808392 10.357588 -3.4232397 1 976 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 97.66 9.02932 8.39705 -2.0458775 1 977 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 98.83 6.7362432 8.771729 0.29400373 1 978 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 98.83 6.6795845 8.069029 1.5710967 1 979 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 98.83 7.206351 6.658807 1.3597664 1 980 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 98.44 6.9246426 6.04094 0.33277398 1 981 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 98.83 5.238184 8.027641 2.0687332 1 982 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 97.66 4.9223166 6.881912 3.4093142 1 983 +ATOM N N . THR A0 1 129 . 129 THR A0 N 98.83 7.972956 6.144142 2.32389 1 984 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 98.83 8.444067 4.7718697 2.2673206 1 985 +ATOM C C . THR A0 1 129 . 129 THR A0 C 98.83 8.002027 4.036416 3.524025 1 986 +ATOM O O . THR A0 1 129 . 129 THR A0 O 98.83 8.245513 4.508287 4.6434264 1 987 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 98.83 9.979248 4.7110434 2.1455245 1 988 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 98.05 10.38732 5.400558 0.9715271 1 989 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 98.44 10.445954 3.2544332 2.0574937 1 990 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 98.83 7.3885527 2.8846607 3.3329537 1 991 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 98.83 6.930243 2.053985 4.446376 1 992 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 98.83 7.4703693 0.64769185 4.252516 1 993 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 98.83 7.3531923 0.071027316 3.1516657 1 994 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 98.83 5.4090195 2.070055 4.5536776 1 995 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 98.44 4.9184012 3.4130945 5.0987062 1 996 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 98.83 3.4731925 3.685464 4.841717 1 997 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 98.83 2.5190988 2.8663025 5.597269 1 998 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 98.44 2.1725552 3.0678017 6.8673553 1 999 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 98.44 2.7400184 4.0443883 7.577887 1 1000 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 98.44 1.2617934 2.2932067 7.428367 1 1001 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 98.83 8.087883 0.12935412 5.2865076 1 1002 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 98.83 8.791018 -1.1463819 5.205138 1 1003 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 98.83 8.090129 -2.1902258 6.059981 1 1004 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 98.83 7.7970724 -1.9424174 7.2392397 1 1005 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 98.83 10.26531 -1.0055149 5.638893 1 1006 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 98.44 10.977827 -2.3449852 5.5550904 1 1007 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 98.44 10.97502 0.03430799 4.7733517 1 1008 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 98.83 7.8551035 -3.3387702 5.4546437 1 1009 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 98.83 7.2185965 -4.4632626 6.126299 1 1010 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 98.83 8.175922 -5.6426673 6.1894927 1 1011 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 98.83 8.986422 -5.85157 5.2849193 1 1012 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 98.83 5.961396 -4.903291 5.365536 1 1013 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 98.83 4.804909 -3.9440413 5.4429092 1 1014 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 98.83 4.792738 -2.7641869 4.7028255 1 1015 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 98.83 3.7157192 -4.204296 6.2665443 1 1016 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 98.83 3.731018 -1.8830541 4.7827444 1 1017 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 98.83 2.646633 -3.3317957 6.351304 1 1018 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 98.83 2.6605399 -2.1733649 5.600891 1 1019 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 98.83 1.6193866 -1.3027627 5.6824455 1 1020 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 98.44 8.081394 -6.4206343 7.2508154 1 1021 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 98.83 8.791664 -7.684282 7.3814483 1 1022 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 98.83 7.787674 -8.802368 7.5975246 1 1023 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 98.83 6.6469383 -8.553828 7.9795513 1 1024 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 98.83 9.793793 -7.6176157 8.530047 1 1025 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 98.44 10.957116 -6.6832557 8.243954 1 1026 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 98.44 11.953445 -6.5833817 9.373983 1 1027 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 97.66 12.952493 -5.856145 9.211489 1 1028 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 97.66 11.74361 -7.2273564 10.430435 1 1029 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 98.83 8.225513 -10.027353 7.361192 1 1030 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 98.83 7.3076763 -11.155317 7.529543 1 1031 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 98.44 6.863949 -11.261633 8.980085 1 1032 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 97.66 7.6672864 -11.097446 9.898308 1 1033 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 98.44 7.971035 -12.452158 7.066813 1 1034 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 98.05 8.160349 -12.480497 5.555112 1 1035 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 98.05 8.000507 -13.886698 4.984827 1 1036 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 98.05 8.26906 -13.895224 3.5340621 1 1037 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 98.05 7.3137655 -13.926685 2.6138349 1 1038 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 97.27 7.648462 -13.934931 1.3237906 1 1039 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 97.27 6.026252 -13.955595 2.966858 1 1040 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 98.83 5.577707 -11.497379 9.164051 1 1041 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 98.44 5.0148296 -11.597601 10.488743 1 1042 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 98.44 5.215835 -13.006758 11.036308 1 1043 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 97.66 5.6740336 -13.903784 10.343534 1 1044 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 98.44 3.5294924 -11.224886 10.480181 1 1045 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 96.88 4.96626 -13.211373 12.226121 1 1046 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 95.7 11.480139 -15.136458 -0.4277984 1 1047 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 95.31 12.120809 -14.931234 -1.7199743 1 1048 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 96.09 12.678075 -14.98036 0.78964335 1 1049 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 96.09 10.779383 -16.69337 -0.36481524 1 1050 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 95.7 -4.791627 -1.8424454 0.39275584 1 1051 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 94.92 -5.244994 -0.46619862 0.63697624 1 1052 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 95.7 -3.3286476 -2.0817194 1.2771168 1 1053 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 96.09 -5.9804792 -2.9127574 0.99934113 1 1054 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 96.09 -9.12383 6.3701806 8.693734 1 1055 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 95.31 -9.329349 5.16446 9.495196 1 1056 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 96.09 -7.5227966 6.2330465 7.997657 1 1057 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 96.48 -10.39205 6.459202 7.52958 1 1058 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 98.83 -2.4417887 2.6126623 5.108287 1 1059 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 98.83 -2.638236 3.6199112 4.115036 1 1060 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 98.83 -1.8965062 3.6417134 2.9870112 1 1061 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 98.83 -0.9238682 2.7396264 2.7524452 1 1062 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 98.83 -0.6514385 1.7282588 3.7176843 1 1063 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 98.83 -1.419609 1.6865231 4.8716655 1 1064 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 98.05 -4.228606 6.862809 4.0440817 1 1065 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 98.83 0.4276156 0.70530343 3.5106125 1 1066 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 98.44 -3.2639568 2.5550008 6.3246136 1 1067 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 98.44 -2.8775206 3.2699976 7.4505653 1 1068 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 98.44 -3.65279 3.1960897 8.624794 1 1069 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 98.44 -4.788056 2.36607 8.6729145 1 1070 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 98.05 -5.148987 1.6355636 7.527031 1 1071 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 98.05 -4.382563 1.7218678 6.368267 1 1072 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 98.83 -3.557517 4.565323 4.296176 1 1073 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 98.44 -0.12570184 2.8800817 1.4589734 1 1074 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 98.44 1.1486087 2.8948474 1.7126846 1 1075 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 98.05 -0.42649817 1.883807 0.6519288 1 1076 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 98.05 -0.4273167 4.009796 0.8654066 1 1077 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 98.44 -3.5896864 5.687077 3.3649373 1 1078 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 98.05 -3.538384 7.184424 5.1158905 1 1079 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 97.66 -5.4332066 6.540416 4.4205694 1 1080 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 98.05 -4.2665625 7.8750143 3.2125134 1 1081 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 98.44 0.26685238 -0.19553842 2.6780858 1 1082 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 98.44 1.4475961 0.8144711 4.23951 1 1083 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..2b2c403eccb3fa7d2348b784b8f10dcf091b7121 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_1_postprocessed.cif @@ -0,0 +1,1410 @@ +data_7fwf-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 0 -0.62182766 -22.70177 -12.185219 1 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 0 0.75099105 -22.371563 -12.52936 1 2 1 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 0 1.3314708 -21.316254 -11.610371 1 3 1 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 0 0.60667276 -20.676968 -10.843011 1 4 1 +ATOM N N . SER A0 1 2 . 2 SER A0 N 0 2.631403 -21.136118 -11.686219 1 5 1 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 0 3.3261628 -20.167805 -10.854687 1 6 1 +ATOM C C . SER A0 1 2 . 2 SER A0 C 0 2.9940464 -18.74076 -11.277672 1 7 1 +ATOM O O . SER A0 1 2 . 2 SER A0 O 0 2.5912192 -18.491243 -12.424852 1 8 1 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 0 4.8352194 -20.404491 -10.91449 1 9 1 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 0 5.1858344 -21.678856 -10.407912 1 10 1 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 0 3.161634 -17.819973 -10.35327 1 11 1 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 0 2.9076595 -16.395367 -10.559483 1 12 1 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 0 4.1025953 -15.630519 -10.022297 1 13 1 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 0 4.623183 -15.972157 -8.948126 1 14 1 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 0 1.6611812 -15.968232 -9.770376 1 15 1 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 0 0.49515527 -15.5897665 -10.612427 1 16 1 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 0 0.19380844 -14.27903 -10.931879 1 17 1 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 0 -0.45066756 -16.340153 -11.192045 1 18 1 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 0 -0.88788235 -14.247936 -11.679109 1 19 1 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 0 -1.3086553 -15.492904 -11.849741 1 20 1 +ATOM N N . MET A0 1 4 . 4 MET A0 N 0 4.5337596 -14.5998745 -10.731237 1 21 1 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 0 5.6136885 -13.774961 -10.1950865 1 22 1 +ATOM C C . MET A0 1 4 . 4 MET A0 C 0 5.1800747 -13.123507 -8.873087 1 23 1 +ATOM O O . MET A0 1 4 . 4 MET A0 O 0 6.0093584 -12.910147 -7.9895844 1 24 1 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 0 6.046071 -12.705781 -11.206072 1 25 1 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 0 7.162182 -11.777131 -10.683653 1 26 1 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 0 8.681833 -12.643536 -10.23259 1 27 1 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 0 9.377715 -12.970292 -11.833626 1 28 1 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 0 3.9042587 -12.866682 -8.726154 1 29 1 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 0 3.431683 -12.256894 -7.490281 1 30 1 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 0 3.4554167 -13.210434 -6.304579 1 31 1 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 0 3.1594267 -12.800592 -5.1803665 1 32 1 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 0 2.0313869 -11.678719 -7.672555 1 33 1 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 0 0.8169532 -12.8614435 -8.245405 1 34 1 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 0 3.8641977 -14.4453535 -6.5177097 1 35 1 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 0 4.024049 -15.378055 -5.4076777 1 36 1 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 0 5.0106196 -14.852923 -4.3672943 1 37 1 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 0 4.891528 -15.180048 -3.18462 1 38 1 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 0 4.503701 -16.74104 -5.9102163 1 39 1 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 0 3.4317393 -17.499834 -6.6650405 1 40 1 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 0 2.274289 -17.03282 -6.718159 1 41 1 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 0 3.7507696 -18.57768 -7.210532 1 42 1 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 0 5.994979 -14.047964 -4.7941866 1 43 1 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 0 6.991549 -13.517824 -3.868069 1 44 1 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 0 6.3943896 -12.53841 -2.864018 1 45 1 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 0 7.01515 -12.254101 -1.8354561 1 46 1 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 0 8.12313 -12.842569 -4.6363535 1 47 1 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 0 5.2188005 -12.013335 -3.1530666 1 48 1 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 0 4.5454636 -11.088964 -2.248653 1 49 1 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 0 3.6178863 -11.801932 -1.2637765 1 50 1 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 0 3.2198007 -11.208071 -0.25873312 1 51 1 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 0 3.719302 -10.071973 -3.0464501 1 52 1 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 0 4.54472 -9.149965 -3.8981104 1 53 1 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 0 4.731535 -9.406988 -5.241687 1 54 1 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 0 5.1281652 -8.031422 -3.3421178 1 55 1 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 0 5.4990215 -8.551517 -6.028431 1 56 1 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 0 5.8946266 -7.172613 -4.1188464 1 57 1 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 0 6.0766115 -7.437705 -5.4661427 1 58 1 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 0 3.2818952 -13.04372 -1.5364436 1 59 1 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 0 2.271315 -13.753847 -0.76119816 1 60 1 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 0 2.7621956 -14.000644 0.65822625 1 61 1 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 0 3.888082 -14.438166 0.8676654 1 62 1 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 0 1.8853884 -15.081844 -1.451812 1 63 1 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 0 1.0164258 -15.93691 -0.54608095 1 64 1 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 0 1.1798067 -14.789526 -2.7775803 1 65 1 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 0 1.9003775 -13.729597 1.6112597 1 66 1 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 0 2.2095542 -13.984324 3.0061162 1 67 1 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 0 1.626624 -12.922902 3.910595 1 68 1 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 0 0.7943127 -12.114445 3.4969587 1 69 1 +ATOM N N . THR A0 1 11 . 11 THR A0 N 0 2.0596552 -12.95521 5.1413727 1 70 1 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 0 1.6113523 -12.010284 6.1539717 1 71 1 +ATOM C C . THR A0 1 11 . 11 THR A0 C 0 2.7732227 -11.108572 6.521492 1 72 1 +ATOM O O . THR A0 1 11 . 11 THR A0 O 0 3.8699875 -11.593128 6.8290544 1 73 1 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 0 1.0783974 -12.744823 7.3922567 1 74 1 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 0 0.0007327738 -13.599224 6.98664 1 75 1 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 0 0.56851244 -11.755266 8.441448 1 76 1 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 0 2.556293 -9.82032 6.482271 1 77 1 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 0 3.592986 -8.821592 6.6538363 1 78 1 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 0 3.207409 -7.851324 7.761091 1 79 1 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 0 2.0218458 -7.5389733 7.9371414 1 80 1 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 0 3.808836 -8.0418215 5.3504148 1 81 1 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 0 4.153659 -8.899275 4.1752343 1 82 1 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 0 3.274838 -9.478138 3.2980323 1 83 1 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 0 5.453567 -9.270861 3.7405968 1 84 1 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 0 3.95418 -10.18322 2.3437603 1 85 1 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 0 5.303165 -10.072518 2.5852752 1 86 1 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 0 6.745777 -9.000364 4.2054777 1 87 1 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 0 6.391014 -10.603725 1.8998444 1 88 1 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 0 7.822617 -9.5305 3.52236 1 89 1 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 0 7.6393657 -10.323917 2.3786888 1 90 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 4.2126346 -7.3777504 8.490269 1 91 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 3.9764755 -6.4063826 9.554443 1 92 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 4.811782 -5.158704 9.298193 1 93 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 5.978532 -5.2454014 8.928596 1 94 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 4.3144674 -7.010397 10.926598 1 95 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 5.779021 -7.40018 11.093899 1 96 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 6.033228 -7.9663343 12.486956 1 97 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 7.48198 -8.397267 12.625128 1 98 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 7.7608376 -8.933013 13.973906 1 99 1 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 0 4.2017946 -4.003971 9.527079 1 100 1 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 0 4.9147096 -2.7403378 9.345152 1 101 1 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 0 5.988617 -2.57217 10.416855 1 102 1 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 0 5.7077174 -2.7120135 11.610516 1 103 1 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 0 3.9404757 -1.5609977 9.41777 1 104 1 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 0 4.554478 -0.19170569 9.128826 1 105 1 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 0 3.64236 0.9119942 9.650592 1 106 1 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 0 4.8083963 -0.023316769 7.644328 1 107 1 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 0 7.221337 -2.2773802 9.981409 1 108 1 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 0 8.301536 -2.054825 10.931361 1 109 1 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 0 8.900274 -0.65322983 10.857178 1 110 1 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 0 9.553999 -0.22571686 11.803276 1 111 1 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 0 9.424362 -3.1071985 10.787793 1 112 1 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 0 8.886739 -4.4999876 11.125572 1 113 1 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 0 10.022631 -3.077425 9.397307 1 114 1 +ATOM N N . SER A0 1 16 . 16 SER A0 N 0 8.688271 0.05120766 9.765116 1 115 1 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 0 9.161317 1.4281347 9.694134 1 116 1 +ATOM C C . SER A0 1 16 . 16 SER A0 C 0 8.3407135 2.2294123 8.6945 1 117 1 +ATOM O O . SER A0 1 16 . 16 SER A0 O 0 7.754133 1.669432 7.759468 1 118 1 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 0 10.650389 1.4996879 9.340774 1 119 1 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 0 10.8798485 1.1295483 7.998746 1 120 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 8.315088 3.5212836 8.915331 1 121 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 7.561446 4.4199076 8.062468 1 122 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 8.261024 5.7684937 8.013147 1 123 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 8.623441 6.3178153 9.054282 1 124 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 6.139594 4.576183 8.595837 1 125 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 5.3614693 5.40878 7.7566266 1 126 1 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 0 8.498307 6.2729464 6.81262 1 127 1 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 0 9.15013 7.5621076 6.629234 1 128 1 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 0 8.253416 8.472029 5.797597 1 129 1 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 0 7.7960825 8.079286 4.7227564 1 130 1 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 0 10.495716 7.4063587 5.916767 1 131 1 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 0 11.523182 6.5818872 6.67175 1 132 1 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 0 12.755699 6.2738523 5.8291607 1 133 1 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 0 13.616575 5.503691 6.3000965 1 134 1 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 0 12.871465 6.7983027 4.697612 1 135 1 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 0 7.989795 9.667931 6.3075743 1 136 1 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 0 7.286302 10.714764 5.571439 1 137 1 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 0 5.7979984 10.432987 5.3439207 1 138 1 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 0 5.177338 11.076958 4.491353 1 139 1 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 0 7.981553 10.966942 4.2331543 1 140 1 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 0 8.258849 12.409862 3.972426 1 141 1 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 0 8.324371 13.213097 4.892624 1 142 1 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 0 8.437866 12.747465 2.6959515 1 143 1 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 0 5.1955986 9.52021 6.0883217 1 144 1 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 0 3.796792 9.161089 5.8710637 1 145 1 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 0 2.8529718 10.323033 6.169098 1 146 1 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 0 1.8618845 10.515877 5.466421 1 147 1 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 0 3.433457 7.9299545 6.7066236 1 148 1 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 0 2.0909534 7.328269 6.382902 1 149 1 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 0 1.176256 7.0824776 7.395479 1 150 1 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 0 1.7593384 6.9880733 5.087464 1 151 1 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 0 -0.055805564 6.508951 7.120658 1 152 1 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 0 0.53068125 6.4123783 4.798053 1 153 1 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 0 -0.37968946 6.1731205 5.8182344 1 154 1 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 0 3.1616533 11.110654 7.2026024 1 155 1 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 0 2.319733 12.257477 7.5183296 1 156 1 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 0 2.3037465 13.268101 6.3713417 1 157 1 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 0 1.2480485 13.778975 5.998208 1 158 1 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 0 2.7863817 12.9351015 8.814922 1 159 1 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 0 1.8467932 14.044049 9.246299 1 160 1 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 0 0.70128745 13.729989 9.642635 1 161 1 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 0 2.2292492 15.231212 9.180054 1 162 1 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 0 3.467342 13.557596 5.807118 1 163 1 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 0 3.539149 14.488506 4.6764493 1 164 1 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 0 2.8112307 13.933181 3.4541094 1 165 1 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 0 2.151977 14.683001 2.72224 1 166 1 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 0 5.0001903 14.794448 4.3344283 1 167 1 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 0 5.682907 15.663425 5.3728004 1 168 1 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 0 5.0009284 16.492594 6.00847 1 169 1 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 0 6.9082303 15.514408 5.5435925 1 170 1 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 0 2.9331555 12.641887 3.2194843 1 171 1 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 0 2.1982973 12.010407 2.121337 1 172 1 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 0 0.69070226 12.161289 2.3212194 1 173 1 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 0 -0.03642895 12.545203 1.397449 1 174 1 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 0 2.5911753 10.529934 2.0185852 1 175 1 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 0 1.7763611 9.749063 1.0028765 1 176 1 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 0 0.81576574 8.831288 1.420925 1 177 1 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 0 1.9748563 9.918152 -0.35704625 1 178 1 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 0 0.069822565 8.112267 0.5034661 1 179 1 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 0 1.2327907 9.1991825 -1.2875822 1 180 1 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 0 0.28379518 8.298378 -0.84591794 1 181 1 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 0 -0.44672197 7.5849195 -1.7579788 1 182 1 +ATOM N N . MET A0 1 24 . 24 MET A0 N 0 0.2212671 11.872851 3.5407677 1 183 1 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 0 -1.2037292 12.024567 3.8240962 1 184 1 +ATOM C C . MET A0 1 24 . 24 MET A0 C 0 -1.6604066 13.468733 3.6439757 1 185 1 +ATOM O O . MET A0 1 24 . 24 MET A0 O 0 -2.7601817 13.714663 3.1414897 1 186 1 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 0 -1.515764 11.533085 5.244692 1 187 1 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 0 -1.4363339 10.019524 5.3901663 1 188 1 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 0 -2.066803 9.458115 7.0042806 1 189 1 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 0 -0.7891822 10.091779 8.097601 1 190 1 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 0 -0.82861024 14.430563 4.0577655 1 191 1 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 0 -1.1661267 15.842063 3.848621 1 192 1 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 0 -1.3798885 16.134106 2.3701906 1 193 1 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 0 -2.3291192 16.819073 1.9963808 1 194 1 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 0 -0.064595476 16.75888 4.387045 1 195 1 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 0 -0.01927902 16.908024 5.8923006 1 196 1 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 0 1.046498 17.93734 6.274086 1 197 1 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 0 1.3020316 17.973782 7.7736673 1 198 1 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 0 2.3650217 18.950624 8.11739 1 199 1 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 0 -0.47771952 15.629303 1.5217464 1 200 1 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 0 -0.609614 15.870037 0.08335161 1 201 1 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 0 -1.8740102 15.237459 -0.4830857 1 202 1 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 0 -2.445802 15.762253 -1.4482583 1 203 1 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 0 0.5992181 15.342575 -0.6866371 1 204 1 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 0 1.828213 16.219976 -0.61588466 1 205 1 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 0 1.5756203 17.661592 -0.985428 1 206 1 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 0 1.7907915 18.525272 -0.1168662 1 207 1 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 0 1.1726987 17.933348 -2.147067 1 208 1 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 0 -2.3035388 14.12973 0.09711096 1 209 1 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 0 -3.5540836 13.496618 -0.32183784 1 210 1 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 0 -4.7827873 14.295254 0.11162269 1 211 1 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 0 -5.8854895 14.032501 -0.3799455 1 212 1 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 0 -3.658998 12.080864 0.25719777 1 213 1 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 0 -2.7442536 11.000529 -0.31716445 1 214 1 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 0 -2.9532642 9.69836 0.45621994 1 215 1 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 0 -3.0110965 10.780657 -1.799772 1 216 1 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 0 -4.601802 15.243378 1.0361389 1 217 1 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 0 -5.7107453 16.011303 1.5807457 1 218 1 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 0 -6.3171163 15.430759 2.842752 1 219 1 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 0 -7.4216976 15.816108 3.2319357 1 220 1 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 0 -5.600458 14.527189 3.4900594 1 221 1 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 0 -6.1056356 13.877324 4.6965675 1 222 1 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 0 -6.106065 14.871684 5.8581524 1 223 1 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 0 -5.1196513 15.579348 6.0832033 1 224 1 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 0 -5.256057 12.636908 5.044545 1 225 1 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 0 -5.771401 11.970472 6.3156915 1 226 1 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 0 -5.2627354 11.642156 3.8754582 1 227 1 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 0 -7.2175593 14.926715 6.5917883 1 228 1 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 0 -7.3437366 15.8495655 7.706166 1 229 1 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 0 -6.5168076 15.44577 8.917974 1 230 1 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 0 -5.9986696 14.331153 9.008541 1 231 1 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 0 -6.4065533 16.36208 9.857849 1 232 1 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 0 -5.532626 16.187183 11.026533 1 233 1 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 0 -5.837694 14.912519 11.818072 1 234 1 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 0 -4.935114 14.113747 12.099272 1 235 1 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 0 -5.6421237 17.411465 11.935608 1 236 1 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 0 -4.861846 17.278961 13.211883 1 237 1 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 0 -5.472907 16.828432 14.371829 1 238 1 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 0 -3.5184414 17.60055 13.2468405 1 239 1 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 0 -4.7510815 16.70482 15.553043 1 240 1 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 0 -2.7927992 17.47963 14.420671 1 241 1 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 0 -3.4087908 17.033346 15.574546 1 242 1 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 0 -7.104529 14.724897 12.189531 1 243 1 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 0 -7.4487677 13.584819 13.03559 1 244 1 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 0 -7.1389675 12.251871 12.347776 1 245 1 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 0 -6.6027718 11.330329 12.970488 1 246 1 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 0 -8.918867 13.645016 13.432768 1 247 1 +ATOM N N . THR A0 1 33 . 33 THR A0 N 0 -7.460746 12.184534 11.068201 1 248 1 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 0 -7.193348 10.952764 10.331404 1 249 1 +ATOM C C . THR A0 1 33 . 33 THR A0 C 0 -5.6926312 10.727505 10.153223 1 250 1 +ATOM O O . THR A0 1 33 . 33 THR A0 O 0 -5.223196 9.585776 10.234175 1 251 1 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 0 -7.913373 10.978361 8.96775 1 252 1 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 0 -9.319294 11.115151 9.18442 1 253 1 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 0 -7.6380982 9.6867285 8.181744 1 254 1 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 0 -4.9277496 11.797065 9.921099 1 255 1 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 0 -3.4730244 11.635668 9.837994 1 256 1 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 0 -2.9015732 11.099659 11.145082 1 257 1 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 0 -2.017508 10.23307 11.121493 1 258 1 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 0 -2.7871633 12.9635935 9.495422 1 259 1 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 0 -3.026114 13.444472 8.0887375 1 260 1 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 0 -1.972378 14.454427 7.650855 1 261 1 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 0 -1.716783 15.538782 8.591607 1 262 1 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 0 -2.4639351 16.634766 8.700572 1 263 1 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 0 -3.5430262 16.794113 7.942252 1 264 1 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 0 -2.1257386 17.57129 9.582748 1 265 1 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 0 -3.3768244 11.628063 12.274321 1 266 1 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 0 -2.8702683 11.155846 13.559015 1 267 1 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 0 -3.1927385 9.684013 13.762584 1 268 1 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 0 -2.3232884 8.89901 14.171005 1 269 1 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 0 -3.4463859 11.988703 14.704039 1 270 1 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 0 -2.9631033 13.43845 14.709326 1 271 1 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 0 -1.4372966 13.500971 14.829258 1 272 1 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 0 -0.96686244 14.93721 14.809956 1 273 1 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 0 0.50309956 15.011807 14.836132 1 274 1 +ATOM N N . MET A0 1 36 . 36 MET A0 N 0 -4.431587 9.288729 13.471793 1 275 1 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 0 -4.823718 7.891737 13.622326 1 276 1 +ATOM C C . MET A0 1 36 . 36 MET A0 C 0 -4.0479517 6.9938536 12.653722 1 277 1 +ATOM O O . MET A0 1 36 . 36 MET A0 O 0 -3.5581393 5.9262214 13.0453 1 278 1 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 0 -6.333807 7.750819 13.386662 1 279 1 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 0 -6.8471575 6.3142567 13.476364 1 280 1 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 0 -8.644183 6.2067113 13.46052 1 281 1 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 0 -8.970774 6.6470966 11.780309 1 282 1 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 0 -3.9423952 7.442084 11.397509 1 283 1 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 0 -3.225689 6.655671 10.406502 1 284 1 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 0 -1.744225 6.543892 10.715355 1 285 1 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 0 -1.1372913 5.4829884 10.521096 1 286 1 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 0 -1.1461059 7.6226745 11.201801 1 287 1 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 0 0.27613452 7.6132574 11.498867 1 288 1 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 0 0.6510824 6.7060223 12.656567 1 289 1 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 0 1.7568605 6.1530504 12.682724 1 290 1 +ATOM N N . MET A0 1 39 . 39 MET A0 N 0 -0.2504804 6.553426 13.604229 1 291 1 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 0 0.013426098 5.7009006 14.767609 1 292 1 +ATOM C C . MET A0 1 39 . 39 MET A0 C 0 -0.12233499 4.2200766 14.449489 1 293 1 +ATOM O O . MET A0 1 39 . 39 MET A0 O 0 0.46547204 3.3858056 15.141262 1 294 1 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 0 -0.94861007 6.0361156 15.904694 1 295 1 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 0 -0.74024093 7.3875237 16.528479 1 296 1 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 0 -1.9702908 7.700897 17.803885 1 297 1 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 0 -1.4802842 6.482145 19.023546 1 298 1 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 0 -0.8988295 3.9009368 13.433941 1 299 1 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 0 -1.2094791 2.5066533 13.156685 1 300 1 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 0 0.022005834 1.7377748 12.678766 1 301 1 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 0 0.87516963 2.2643402 11.962212 1 302 1 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 0 -2.3199956 2.4036574 12.113423 1 303 1 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 0 0.108775675 0.49224067 13.087561 1 304 1 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 0 1.1320078 -0.44697276 12.620842 1 305 1 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 0 0.39410824 -1.6006774 11.94273 1 306 1 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 0 0.16931444 -2.6449556 12.540434 1 307 1 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 0 1.9743078 -0.94450617 13.7891865 1 308 1 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 0 2.8396475 0.12751098 14.415687 1 309 1 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 0 3.9972255 0.4810531 13.5109 1 310 1 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 0 4.870858 1.5652885 14.119436 1 311 1 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 0 5.5088882 1.1173915 15.391233 1 312 1 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 0 -0.00437054 -1.3948951 10.677464 1 313 1 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 0 -0.88509595 -2.3796215 10.044093 1 314 1 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 0 -0.21257126 -3.720642 9.790279 1 315 1 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 0 1.0026679 -3.817347 9.62528 1 316 1 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 0 -1.263891 -1.7207751 8.709176 1 317 1 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 0 -0.9350332 -0.271892 8.866993 1 318 1 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 0 0.22264235 -0.22454304 9.814915 1 319 1 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 0 -1.0413734 -4.7305717 9.727216 1 320 1 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 0 -0.68108404 -6.0463204 9.233928 1 321 1 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 0 -1.2097005 -6.144518 7.8104014 1 322 1 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 0 -2.344339 -5.745101 7.5352125 1 323 1 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 0 -1.3202459 -7.1160736 10.115387 1 324 1 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 0 -1.096066 -8.520586 9.611867 1 325 1 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 0 -1.9857554 -9.120811 9.01269 1 326 1 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 0 0.085511945 -9.031563 9.884203 1 327 1 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 0 -0.3730378 -6.6381407 6.8952227 1 328 1 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 0 -0.7674194 -6.7526255 5.4921846 1 329 1 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 0 -0.7173962 -8.213886 5.082407 1 330 1 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 0 0.3209897 -8.863857 5.2106686 1 331 1 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 0 0.17327626 -5.9147606 4.6242065 1 332 1 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 0 -0.1706461 -6.0057178 2.8740025 1 333 1 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 0 -1.8390038 -8.727806 4.5899224 1 334 1 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 0 -1.9143212 -10.111349 4.1230555 1 335 1 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 0 -2.135436 -10.094789 2.6194582 1 336 1 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 0 -3.0944147 -9.485584 2.1370602 1 337 1 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 0 -3.059311 -10.873009 4.803297 1 338 1 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 0 -2.9086566 -10.818725 6.3316174 1 339 1 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 0 -3.093668 -12.324382 4.33219 1 340 1 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 0 -3.8006897 -9.766077 6.9695234 1 341 1 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 0 -1.2346127 -10.767242 1.8888254 1 342 1 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 0 -1.3467528 -10.825516 0.43756709 1 343 1 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 0 -1.5338787 -12.277954 0.022354905 1 344 1 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 0 -0.783776 -13.153946 0.4617781 1 345 1 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 0 -0.10433161 -10.217631 -0.24661626 1 346 1 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 0 0.0586878 -8.754728 0.16648054 1 347 1 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 0 -0.21482024 -10.348163 -1.769453 1 348 1 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 0 1.2954109 -8.076088 -0.39869136 1 349 1 +ATOM N N . SER A0 1 47 . 47 SER A0 N 0 -2.5210042 -12.520881 -0.8158736 1 350 1 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 0 -2.8041148 -13.871808 -1.2849095 1 351 1 +ATOM C C . SER A0 1 47 . 47 SER A0 C 0 -3.1966598 -13.846647 -2.7561345 1 352 1 +ATOM O O . SER A0 1 47 . 47 SER A0 O 0 -3.5487075 -12.802125 -3.301515 1 353 1 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 0 -3.9088044 -14.526727 -0.440908 1 354 1 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 0 -5.0967026 -13.763266 -0.46938992 1 355 1 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 0 -3.1127632 -14.996859 -3.3790312 1 356 1 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 0 -3.4673443 -15.144948 -4.783823 1 357 1 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 0 -4.338586 -16.379816 -4.964181 1 358 1 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 0 -4.0610404 -17.431288 -4.3759255 1 359 1 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 0 -2.2096887 -15.268033 -5.676404 1 360 1 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 0 -2.6054778 -15.459259 -7.1368666 1 361 1 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 0 -1.3286855 -14.048919 -5.5228777 1 362 1 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 0 -5.380495 -16.241793 -5.7506332 1 363 1 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 0 -6.244343 -17.363426 -6.1150637 1 364 1 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 0 -6.516322 -17.220573 -7.604525 1 365 1 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 0 -7.2949414 -16.360268 -8.013366 1 366 1 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 0 -7.5387473 -17.315964 -5.3085318 1 367 1 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 0 -8.3691 -18.566353 -5.450685 1 368 1 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 0 -8.549272 -19.085144 -6.53964 1 369 1 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 0 -8.90225 -19.039139 -4.3176117 1 370 1 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 0 -5.862009 -18.056725 -8.42268 1 371 1 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 0 -5.987896 -17.907589 -9.85709 1 372 1 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 0 -5.432474 -16.571503 -10.305685 1 373 1 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 0 -4.2963443 -16.224117 -9.986124 1 374 1 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 0 -6.2478056 -15.80513 -10.999548 1 375 1 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 0 -5.8505745 -14.488514 -11.477137 1 376 1 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 0 -6.0715117 -13.388559 -10.447834 1 377 1 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 0 -5.6325965 -12.260593 -10.656227 1 378 1 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 0 -6.6312866 -14.118114 -12.741892 1 379 1 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 0 -6.3035703 -14.995579 -13.928577 1 380 1 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 0 -5.1310406 -15.39798 -14.06991 1 381 1 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 0 -7.218382 -15.263555 -14.731355 1 382 1 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 0 -6.749261 -13.704705 -9.341181 1 383 1 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 0 -7.1731367 -12.686233 -8.393572 1 384 1 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 0 -6.1642413 -12.553121 -7.2576146 1 385 1 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 0 -5.908558 -13.509647 -6.52137 1 386 1 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 0 -8.566414 -13.000544 -7.816946 1 387 1 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 0 -8.980819 -11.938402 -6.8154287 1 388 1 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 0 -9.586213 -13.104803 -8.945454 1 389 1 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 0 -5.609701 -11.35586 -7.135557 1 390 1 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 0 -4.7113504 -11.0218315 -6.0422297 1 391 1 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 0 -5.517887 -10.258033 -4.99807 1 392 1 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 0 -6.287279 -9.364941 -5.3423605 1 393 1 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 0 -3.5311453 -10.158474 -6.535804 1 394 1 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 0 -2.7773147 -10.877707 -7.6526337 1 395 1 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 0 -2.602191 -9.812695 -5.376351 1 396 1 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 0 -1.806141 -9.975368 -8.409525 1 397 1 +ATOM N N . THR A0 1 54 . 54 THR A0 N 0 -5.3256245 -10.602596 -3.7335734 1 398 1 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 0 -6.000231 -9.907281 -2.645232 1 399 1 +ATOM C C . THR A0 1 54 . 54 THR A0 C 0 -4.961565 -9.307321 -1.7086663 1 400 1 +ATOM O O . THR A0 1 54 . 54 THR A0 O 0 -3.999013 -9.981582 -1.3248496 1 401 1 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 0 -6.9212904 -10.858349 -1.8644477 1 402 1 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 0 -7.9262633 -11.36974 -2.7420056 1 403 1 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 0 -7.594351 -10.136641 -0.69780576 1 404 1 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 0 -5.1472425 -8.032179 -1.3720214 1 405 1 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 0 -4.3219547 -7.380205 -0.36648142 1 406 1 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 0 -5.247361 -6.902218 0.74200195 1 407 1 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 0 -6.135303 -6.084551 0.5068675 1 408 1 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 0 -3.514506 -6.193047 -0.9337064 1 409 1 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 0 -2.656292 -6.6409063 -2.1180544 1 410 1 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 0 -2.6318758 -5.5860443 0.16778253 1 411 1 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 0 -1.853725 -5.5262847 -2.7683434 1 412 1 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 0 -5.0382953 -7.450863 1.9178408 1 413 1 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 0 -5.8510146 -7.1246514 3.0784354 1 414 1 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 0 -4.973803 -6.4201894 4.0953383 1 415 1 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 0 -3.8757153 -6.8886104 4.4087715 1 416 1 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 0 -6.4362383 -8.408099 3.6743846 1 417 1 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 0 -7.330428 -8.215487 4.8801312 1 418 1 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 0 -7.9048815 -9.562571 5.305258 1 419 1 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 0 -8.805397 -9.438646 6.527155 1 420 1 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 0 -9.368727 -10.764996 6.8972816 1 421 1 +ATOM N N . THR A0 1 57 . 57 THR A0 N 0 -5.430605 -5.2829585 4.5687504 1 422 1 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 0 -4.698621 -4.537871 5.5811357 1 423 1 +ATOM C C . THR A0 1 57 . 57 THR A0 C 0 -5.539519 -4.471901 6.8509817 1 424 1 +ATOM O O . THR A0 1 57 . 57 THR A0 O 0 -6.7119617 -4.096052 6.8023763 1 425 1 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 0 -4.3585987 -3.1137238 5.0983725 1 426 1 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 0 -3.5556297 -3.1932712 3.9287634 1 427 1 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 0 -3.6133232 -2.3453877 6.1813693 1 428 1 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 0 -4.9469337 -4.8647585 7.9476247 1 429 1 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 0 -5.626644 -4.8652306 9.230476 1 430 1 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 0 -4.86429 -4.0002227 10.220878 1 431 1 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 0 -3.6421833 -4.1118693 10.339001 1 432 1 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 0 -5.7513504 -6.2887344 9.777409 1 433 1 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 0 -6.586356 -7.1913314 8.893845 1 434 1 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 0 -6.7452855 -8.59177 9.464661 1 435 1 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 0 -7.6930065 -9.293796 9.04557 1 436 1 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 0 -5.9312897 -8.98599 10.327132 1 437 1 +ATOM N N . SER A0 1 59 . 59 SER A0 N 0 -5.5590405 -3.1439834 10.901961 1 438 1 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 0 -4.9730453 -2.326845 11.956665 1 439 1 +ATOM C C . SER A0 1 59 . 59 SER A0 C 0 -6.0035906 -2.1377614 13.047172 1 440 1 +ATOM O O . SER A0 1 59 . 59 SER A0 O 0 -7.1840067 -2.4380412 12.8619175 1 441 1 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 0 -4.501667 -0.9743041 11.420902 1 442 1 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 0 -5.5955963 -0.094863966 11.215203 1 443 1 +ATOM N N . THR A0 1 60 . 60 THR A0 N 0 -5.5647154 -1.6279359 14.151589 1 444 1 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 0 -6.4882727 -1.3955557 15.254689 1 445 1 +ATOM C C . THR A0 1 60 . 60 THR A0 C 0 -7.568412 -0.3893781 14.889353 1 446 1 +ATOM O O . THR A0 1 60 . 60 THR A0 O 0 -8.677005 -0.4516806 15.42468 1 447 1 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 0 -5.73026 -0.91659594 16.510303 1 448 1 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 0 -4.9442425 0.22967526 16.18132 1 449 1 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 0 -4.8110685 -2.0090904 17.03481 1 450 1 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 0 -7.2570324 0.512964 13.97096 1 451 1 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 0 -8.1934395 1.5973701 13.677929 1 452 1 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 0 -8.92756 1.4724038 12.344777 1 453 1 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 0 -9.963823 2.1209474 12.169183 1 454 1 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 0 -7.4633045 2.9433455 13.744705 1 455 1 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 0 -6.8849106 3.2580686 15.13536 1 456 1 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 0 -6.125249 4.577811 15.118198 1 457 1 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 0 -7.985053 3.3049488 16.194298 1 458 1 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 0 -8.431637 0.64241874 11.416256 1 459 1 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 0 -9.11517 0.492942 10.136746 1 460 1 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 0 -8.67071 -0.769706 9.418108 1 461 1 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 0 -7.4770384 -1.075308 9.3677435 1 462 1 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 0 -8.859681 1.7118211 9.244715 1 463 1 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 0 -9.680897 1.7650506 7.9692087 1 464 1 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 0 -11.154381 2.012357 8.243961 1 465 1 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 0 -11.9165 2.2141361 6.940036 1 466 1 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 0 -13.346733 2.4758067 7.1981854 1 467 1 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 0 -9.625645 -1.4807727 8.850723 1 468 1 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 0 -9.35331 -2.6296895 7.9980974 1 469 1 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 0 -9.789767 -2.3008084 6.5791693 1 470 1 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 0 -10.86921 -1.7405405 6.372924 1 471 1 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 0 -10.106047 -3.866555 8.468071 1 472 1 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 0 -9.693614 -4.3128037 9.849596 1 473 1 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 0 -8.571272 -4.08689 10.288451 1 474 1 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 0 -10.60911 -4.968395 10.545879 1 475 1 +ATOM N N . THR A0 1 64 . 64 THR A0 N 0 -8.960065 -2.6405087 5.6095886 1 476 1 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 0 -9.321527 -2.4956508 4.208645 1 477 1 +ATOM C C . THR A0 1 64 . 64 THR A0 C 0 -8.944044 -3.76419 3.4625134 1 478 1 +ATOM O O . THR A0 1 64 . 64 THR A0 O 0 -8.092266 -4.537076 3.9079263 1 479 1 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 0 -8.630848 -1.2896771 3.535276 1 480 1 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 0 -7.220009 -1.4530871 3.592567 1 481 1 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 0 -9.028724 0.009731475 4.2096148 1 482 1 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 0 -9.588977 -3.9696827 2.325031 1 483 1 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 0 -9.272616 -5.1270256 1.5010284 1 484 1 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 0 -9.571119 -4.807106 0.047069564 1 485 1 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 0 -10.619792 -4.2377353 -0.26269823 1 486 1 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 0 -10.090708 -6.345076 1.9365203 1 487 1 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 0 -9.801125 -7.588456 1.1247983 1 488 1 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 0 -10.541736 -8.813735 1.6436808 1 489 1 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 0 -10.996712 -8.793418 2.8095772 1 490 1 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 0 -10.666851 -9.802383 0.886436 1 491 1 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 0 -8.643622 -5.1788383 -0.83438116 1 492 1 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 0 -8.891289 -5.0857267 -2.2611165 1 493 1 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 0 -8.578469 -6.415168 -2.9156356 1 494 1 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 0 -7.668169 -7.13319 -2.5036368 1 495 1 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 0 -8.078179 -3.9547808 -2.9436078 1 496 1 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 0 -6.573927 -4.1469917 -2.7316542 1 497 1 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 0 -8.562267 -2.5939364 -2.4836788 1 498 1 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 0 -5.699009 -3.1886716 -3.544088 1 499 1 +ATOM N N . SER A0 1 67 . 67 SER A0 N 0 -9.369425 -6.7766194 -3.9120984 1 500 1 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 0 -9.0980215 -7.929059 -4.761107 1 501 1 +ATOM C C . SER A0 1 67 . 67 SER A0 C 0 -9.136439 -7.4489713 -6.2022023 1 502 1 +ATOM O O . SER A0 1 67 . 67 SER A0 O 0 -10.018454 -6.675386 -6.5837636 1 503 1 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 0 -10.128615 -9.034191 -4.5471525 1 504 1 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 0 -9.960882 -9.652725 -3.288606 1 505 1 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 0 -8.199303 -7.9136133 -7.0000143 1 506 1 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 0 -8.069042 -7.3639565 -8.343096 1 507 1 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 0 -7.345748 -8.335369 -9.261496 1 508 1 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 0 -6.7137413 -9.29359 -8.81057 1 509 1 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 0 -7.29945 -6.029737 -8.297481 1 510 1 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 0 -5.948029 -6.1547365 -7.6541796 1 511 1 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 0 -5.809471 -6.030649 -6.27537 1 512 1 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 0 -4.821439 -6.417334 -8.4026165 1 513 1 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 0 -4.565379 -6.1727257 -5.6709776 1 514 1 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 0 -3.5853481 -6.553835 -7.8034616 1 515 1 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 0 -3.462202 -6.4304657 -6.4375834 1 516 1 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 0 -7.457331 -8.063529 -10.533182 1 517 1 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 0 -6.7113566 -8.758726 -11.572314 1 518 1 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 0 -5.744322 -7.7506886 -12.17843 1 519 1 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 0 -6.1118913 -6.6006374 -12.419748 1 520 1 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 0 -7.6663713 -9.323889 -12.645575 1 521 1 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 0 -8.566174 -10.4056835 -12.034876 1 522 1 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 0 -6.8910356 -9.8740635 -13.839105 1 523 1 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 0 -9.704699 -10.846117 -12.942373 1 524 1 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 0 -4.514556 -8.166827 -12.399836 1 525 1 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 0 -3.508268 -7.2504663 -12.93456 1 526 1 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 0 -3.9911373 -6.593506 -14.227955 1 527 1 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 0 -4.4998264 -7.2677145 -15.126307 1 528 1 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 0 -2.1887674 -7.985294 -13.185144 1 529 1 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 0 -1.4500287 -8.478241 -11.9467945 1 530 1 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 0 -0.27241433 -9.350834 -12.365181 1 531 1 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 0 -0.98256165 -7.30674 -11.094139 1 532 1 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 0 -3.82841 -5.282172 -14.286169 1 533 1 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 0 -4.1853275 -4.5153685 -15.462312 1 534 1 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 0 -5.6490955 -4.1531506 -15.587341 1 535 1 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 0 -6.015586 -3.4451296 -16.527824 1 536 1 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 0 -6.4830494 -4.6147385 -14.644728 1 537 1 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 0 -7.9235535 -4.3888264 -14.726553 1 538 1 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 0 -8.342976 -3.3622465 -13.680741 1 539 1 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 0 -8.1824045 -3.5859063 -12.473696 1 540 1 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 0 -8.675483 -5.7027755 -14.522366 1 541 1 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 0 -8.218731 -6.8196654 -15.463541 1 542 1 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 0 -8.517514 -6.5198517 -16.918684 1 543 1 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 0 -9.555192 -5.955019 -17.249508 1 544 1 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 0 -7.5960536 -6.8873234 -17.800121 1 545 1 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 0 -8.897051 -2.2371407 -14.126749 1 546 1 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 0 -9.28009 -1.1610544 -13.2280655 1 547 1 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 0 -10.419457 -1.5849926 -12.314768 1 548 1 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 0 -11.333715 -2.3020785 -12.730473 1 549 1 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 0 -9.687344 0.07171306 -14.036396 1 550 1 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 0 -9.925737 1.3202668 -13.203558 1 551 1 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 0 -10.173162 2.5327892 -14.077532 1 552 1 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 0 -9.3657055 3.4863882 -14.015875 1 553 1 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 0 -11.178494 2.5218344 -14.813053 1 554 1 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 0 -10.365926 -1.1386555 -11.048482 1 555 1 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 0 -11.407339 -1.4676883 -10.081396 1 556 1 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 0 -11.677973 -0.28281665 -9.173954 1 557 1 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 0 -10.877733 0.6478535 -9.082623 1 558 1 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 0 -11.022248 -2.70621 -9.257865 1 559 1 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 0 -9.754021 -2.5486035 -8.461047 1 560 1 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 0 -8.51961 -2.7739863 -9.05805 1 561 1 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 0 -9.78513 -2.18434 -7.1231966 1 562 1 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 0 -7.3405 -2.6312902 -8.324851 1 563 1 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 0 -8.616201 -2.0429032 -6.3925266 1 564 1 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 0 -7.3935585 -2.2713966 -6.9990196 1 565 1 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 0 -12.8252735 -0.32792324 -8.5077095 1 566 1 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 0 -13.198196 0.7122454 -7.555701 1 567 1 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 0 -12.6121025 0.3879151 -6.192277 1 568 1 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 0 -12.6812525 -0.75521594 -5.729658 1 569 1 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 0 -14.717535 0.82089543 -7.4341583 1 570 1 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 0 -15.379444 1.2584512 -8.726475 1 571 1 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 0 -14.9722185 2.301127 -9.278412 1 572 1 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 0 -16.307056 0.5621389 -9.169079 1 573 1 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 0 -12.050563 1.4051163 -5.5450125 1 574 1 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 0 -11.467969 1.2327756 -4.227927 1 575 1 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 0 -11.926888 2.3532932 -3.3224654 1 576 1 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 0 -11.935873 3.5168958 -3.7327151 1 577 1 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 0 -9.934418 1.2406266 -4.3280125 1 578 1 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 0 -9.222051 1.1464422 -2.9787097 1 579 1 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 0 -7.712277 1.2313046 -3.0957563 1 580 1 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 0 -7.2004495 1.458266 -4.213467 1 581 1 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 0 -7.021791 1.083063 -2.0535674 1 582 1 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 0 -12.306339 2.0269685 -2.0949016 1 583 1 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 0 -12.482099 3.023826 -1.0425024 1 584 1 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 0 -11.272909 2.9124057 -0.1267832 1 585 1 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 0 -11.029661 1.8693894 0.47627422 1 586 1 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 0 -13.783637 2.814602 -0.24391213 1 587 1 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 0 -13.893061 3.8723803 0.8469666 1 588 1 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 0 -14.988822 2.8872218 -1.1822777 1 589 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 -10.50164 3.9966528 -0.05552479 1 590 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 -9.24931 3.9783092 0.6901756 1 591 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 -9.49281 4.107875 2.1947916 1 592 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 -10.607826 4.416069 2.632833 1 593 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 -8.3129225 5.107419 0.2253576 1 594 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 -8.915886 6.3624063 0.54397357 1 595 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -8.065739 5.016924 -1.2783285 1 596 1 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 0 -8.4322605 3.8978825 2.9740462 1 597 1 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 0 -8.55775 4.00288 4.426011 1 598 1 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 0 -9.0096655 5.396227 4.856418 1 599 1 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 0 -9.684933 5.540414 5.878225 1 600 1 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 0 -7.2372546 3.6464849 5.1015086 1 601 1 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 0 -8.641573 6.410348 4.0875516 1 602 1 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 0 -9.062123 7.782607 4.360682 1 603 1 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 0 -10.338961 8.160176 3.6194458 1 604 1 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 0 -10.667845 9.345804 3.5076706 1 605 1 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 0 -7.9394727 8.780203 4.033989 1 606 1 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 0 -7.483903 8.730036 2.5960908 1 607 1 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 0 -7.185768 7.6098623 2.0966563 1 608 1 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 0 -7.3848233 9.807907 1.9575408 1 609 1 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 0 -11.0533695 7.1668787 3.1059577 1 610 1 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 0 -12.382261 7.320758 2.5267801 1 611 1 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 0 -12.416528 8.070874 1.1955347 1 612 1 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 0 -13.444102 8.643263 0.83110774 1 613 1 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 0 -13.342981 7.971546 3.535651 1 614 1 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 0 -13.5235 7.1348104 4.7809954 1 615 1 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 0 -13.721341 5.9049077 4.6493692 1 616 1 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 0 -13.465931 7.6916056 5.892184 1 617 1 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 0 -11.316895 8.059829 0.44463137 1 618 1 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 0 -11.378562 8.494336 -0.938102 1 619 1 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 0 -11.975832 7.3753557 -1.7758741 1 620 1 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 0 -11.677332 6.192821 -1.5657872 1 621 1 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 0 -9.991172 8.837211 -1.4937563 1 622 1 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 0 -9.37031 10.104158 -0.9722941 1 623 1 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 0 -7.896347 10.185185 -1.4105024 1 624 1 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 0 -7.105033 9.217527 -0.6561092 1 625 1 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 0 -6.2019873 8.3906 -1.1866609 1 626 1 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 0 -5.9584303 8.4281225 -2.4866345 1 627 1 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 0 -5.551209 7.5370913 -0.40072325 1 628 1 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 0 -12.800138 7.7591705 -2.7058291 1 629 1 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 0 -13.312239 6.813426 -3.6893277 1 630 1 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 0 -12.4825325 6.971246 -4.949621 1 631 1 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 0 -12.559658 7.998447 -5.625466 1 632 1 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 0 -14.792189 7.0816975 -3.9674315 1 633 1 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 0 -15.678408 6.961268 -2.7387624 1 634 1 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 0 -17.12186 7.320709 -3.0680003 1 635 1 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 0 -18.001633 7.229641 -1.8261721 1 636 1 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 0 -19.420586 7.565649 -2.137395 1 637 1 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 0 -11.667222 5.9688454 -5.2383337 1 638 1 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 0 -10.713121 6.0783978 -6.3362536 1 639 1 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 0 -10.906233 4.954412 -7.347297 1 640 1 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 0 -11.496073 3.916234 -7.0514736 1 641 1 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 0 -9.247146 6.0662336 -5.830393 1 642 1 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 0 -9.044422 7.124687 -4.7476864 1 643 1 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 0 -8.862245 4.681468 -5.3093953 1 644 1 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 0 -10.410132 5.192523 -8.535941 1 645 1 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 0 -10.257309 4.1418552 -9.535522 1 646 1 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 0 -8.814676 3.6663222 -9.466129 1 647 1 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 0 -7.8910356 4.468796 -9.614579 1 648 1 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 0 -10.556778 4.6671267 -10.936367 1 649 1 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 0 -11.976971 5.1501393 -11.152119 1 650 1 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 0 -12.955405 3.9913974 -11.19347 1 651 1 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 0 -14.365383 4.4730263 -11.54089 1 652 1 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 0 -15.308008 3.3482385 -11.575125 1 653 1 +ATOM N N . SER A0 1 86 . 86 SER A0 N 0 -8.610197 2.3894482 -9.208752 1 654 1 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 0 -7.270626 1.83126 -9.069198 1 655 1 +ATOM C C . SER A0 1 86 . 86 SER A0 C 0 -6.968364 0.84004676 -10.183046 1 656 1 +ATOM O O . SER A0 1 86 . 86 SER A0 O 0 -7.8406534 0.077081874 -10.604296 1 657 1 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 0 -7.111804 1.120723 -7.721588 1 658 1 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 0 -7.0328684 2.0498881 -6.6492314 1 659 1 +ATOM N N . THR A0 1 87 . 87 THR A0 N 0 -5.7458553 0.8653661 -10.648697 1 660 1 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 0 -5.2388625 -0.15656903 -11.554715 1 661 1 +ATOM C C . THR A0 1 87 . 87 THR A0 C 0 -3.887371 -0.60469747 -11.028275 1 662 1 +ATOM O O . THR A0 1 87 . 87 THR A0 O 0 -3.047451 0.23192099 -10.69071 1 663 1 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 0 -5.0827637 0.3640285 -12.994135 1 664 1 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 0 -6.302815 0.9622612 -13.436391 1 665 1 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 0 -4.7270913 -0.7850767 -13.938974 1 666 1 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 0 -3.689881 -1.9096493 -10.945692 1 667 1 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 0 -2.4286695 -2.4553761 -10.460792 1 668 1 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 0 -1.8431567 -3.348384 -11.544958 1 669 1 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 0 -2.5319366 -4.1994276 -12.099461 1 670 1 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 0 -2.6163163 -3.2385266 -9.146295 1 671 1 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 0 -3.2765899 -2.3414655 -8.093547 1 672 1 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 0 -1.2718117 -3.7621717 -8.646765 1 673 1 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 0 -3.5463386 -3.0216622 -6.759901 1 674 1 +ATOM N N . THR A0 1 89 . 89 THR A0 N 0 -0.5753196 -3.1196263 -11.833482 1 675 1 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 0 0.14299816 -3.8741426 -12.855534 1 676 1 +ATOM C C . THR A0 1 89 . 89 THR A0 C 0 1.4484818 -4.400648 -12.274112 1 677 1 +ATOM O O . THR A0 1 89 . 89 THR A0 O 0 1.8742684 -3.9792879 -11.1920805 1 678 1 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 0 0.45333666 -2.9983857 -14.084591 1 679 1 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 0 1.1638489 -1.8405823 -13.669869 1 680 1 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 0 -0.8358093 -2.5823865 -14.788542 1 681 1 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 0 2.0689273 -5.3150005 -12.988066 1 682 1 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 0 3.4192219 -5.7497425 -12.667013 1 683 1 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 0 4.3900046 -5.070856 -13.618591 1 684 1 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 0 4.204601 -5.1261015 -14.8387985 1 685 1 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 0 3.5684705 -7.2579727 -12.827547 1 686 1 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 0 3.4251075 -8.155714 -11.614813 1 687 1 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 0 3.7201767 -9.587206 -12.040245 1 688 1 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 0 4.342278 -7.7451105 -10.478099 1 689 1 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 0 5.394254 -4.413845 -13.064598 1 690 1 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 0 6.445952 -3.7607074 -13.837577 1 691 1 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 0 7.780574 -4.3143005 -13.341636 1 692 1 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 0 8.321356 -3.8581696 -12.334891 1 693 1 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 0 6.382948 -2.2375321 -13.653577 1 694 1 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 0 7.53065 -1.5288285 -14.34855 1 695 1 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 0 8.121966 -2.1129231 -15.287134 1 696 1 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 0 7.842152 -0.377919 -13.961565 1 697 1 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 0 8.283291 -5.330396 -14.035252 1 698 1 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 0 9.549924 -5.926878 -13.643549 1 699 1 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 0 9.553912 -6.4362316 -12.218046 1 700 1 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 0 10.503164 -6.162176 -11.4676895 1 701 1 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 0 8.551598 -7.153839 -11.824407 1 702 1 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 0 8.473986 -7.7240696 -10.489735 1 703 1 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 0 7.94637 -6.790447 -9.425465 1 704 1 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 0 7.8038464 -7.2101974 -8.2719345 1 705 1 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 0 7.660117 -5.5423794 -9.77368 1 706 1 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 0 7.1331058 -4.5673933 -8.828129 1 707 1 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 0 5.6436024 -4.385573 -9.084064 1 708 1 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 0 5.229809 -4.13165 -10.221891 1 709 1 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 0 7.8584867 -3.2048392 -8.960419 1 710 1 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 0 7.2737164 -2.1874185 -7.987483 1 711 1 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 0 9.36081 -3.3795989 -8.727411 1 712 1 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 0 4.8413734 -4.5016346 -8.032757 1 713 1 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 0 3.4214702 -4.214097 -8.140066 1 714 1 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 0 3.2310817 -2.700327 -8.121403 1 715 1 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 0 3.606991 -2.0339923 -7.154025 1 716 1 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 0 2.6476688 -4.8480988 -6.9872885 1 717 1 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 0 2.4037676 -6.3435907 -7.066198 1 718 1 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 0 1.8758795 -6.861818 -5.7363205 1 719 1 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 0 1.408637 -6.6625304 -8.17832 1 720 1 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 0 2.6700153 -2.168596 -9.187618 1 721 1 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 0 2.5035303 -0.7241814 -9.328344 1 722 1 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 0 1.0200827 -0.39197934 -9.3465185 1 723 1 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 0 0.2883509 -0.81090355 -10.252907 1 724 1 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 0 3.168984 -0.20413987 -10.620457 1 725 1 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 0 2.96949 1.2962856 -10.749773 1 726 1 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 0 4.6551456 -0.56659836 -10.631569 1 727 1 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 0 0.59004754 0.3624128 -8.341038 1 728 1 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 0 -0.80026853 0.7586926 -8.209024 1 729 1 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 0 -0.95156455 2.2422004 -8.481451 1 730 1 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 0 -0.25595427 3.0624168 -7.8800106 1 731 1 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 0 -1.3057764 0.44076794 -6.8053465 1 732 1 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 0 -2.7322717 0.9070041 -6.538924 1 733 1 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 0 -3.1687174 0.6446621 -5.11796 1 734 1 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 0 -2.3546476 0.33359712 -4.243106 1 735 1 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 0 -4.4671383 0.7708317 -4.8582706 1 736 1 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 0 -1.8325751 2.57531 -9.396633 1 737 1 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 0 -2.1727545 3.970961 -9.642054 1 738 1 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 0 -3.6128044 4.189698 -9.210154 1 739 1 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 0 -4.515231 3.4500551 -9.627437 1 740 1 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 0 -2.0027404 4.347458 -11.132012 1 741 1 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 0 -2.372981 5.8114624 -11.351318 1 742 1 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 0 -0.5677755 4.0799923 -11.579433 1 743 1 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 0 -3.8155138 5.176381 -8.347269 1 744 1 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 0 -5.1464863 5.580943 -7.9111567 1 745 1 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 0 -5.4898863 6.903816 -8.568453 1 746 1 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 0 -4.672561 7.8350983 -8.557835 1 747 1 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 0 -5.211484 5.753626 -6.393903 1 748 1 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 0 -4.9792695 4.475462 -5.6111927 1 749 1 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 0 -4.9405923 4.728606 -4.1208715 1 750 1 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 0 -4.6860843 5.848924 -3.6655 1 751 1 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 0 -5.17125 3.6851432 -3.3202229 1 752 1 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 0 -6.680748 7.0110655 -9.114445 1 753 1 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 0 -7.1312113 8.248707 -9.744126 1 754 1 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 0 -8.451317 8.6824 -9.125456 1 755 1 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 0 -9.35796 7.8570557 -8.956289 1 756 1 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 0 -7.29552 8.067958 -11.263592 1 757 1 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 0 -6.006299 7.7396774 -11.990389 1 758 1 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 0 -6.238909 7.639805 -13.4911175 1 759 1 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 0 -4.942129 7.3398066 -14.231728 1 760 1 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 0 -5.1655893 7.190531 -15.691898 1 761 1 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 0 -8.54924 9.9582405 -8.818289 1 762 1 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 0 -9.785093 10.525103 -8.286875 1 763 1 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 0 -9.756161 12.044825 -8.45249 1 764 1 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 0 -8.723476 12.686982 -8.269272 1 765 1 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 0 -9.978972 10.145685 -6.8096395 1 766 1 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 0 -9.113741 10.923338 -5.8498907 1 767 1 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 0 -9.539702 11.9506 -5.041617 1 768 1 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 0 -7.7145514 10.798618 -5.6150904 1 769 1 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 0 -8.474947 12.447537 -4.3117247 1 770 1 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 0 -7.354174 11.745436 -4.649004 1 771 1 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 0 -6.733133 9.937424 -6.1344957 1 772 1 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 0 -6.0375338 11.886226 -4.185989 1 773 1 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 0 -5.4291697 10.070327 -5.6690674 1 774 1 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 0 -5.102675 11.026371 -4.7149324 1 775 1 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 0 -10.866272 12.631049 -8.792158 1 776 1 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 0 -11.041082 14.081914 -8.871044 1 777 1 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 0 -9.893499 14.780191 -9.610118 1 778 1 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 0 -9.434408 15.8520565 -9.2055645 1 779 1 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 0 -11.185574 14.687811 -7.4662027 1 780 1 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 0 -12.439337 14.223751 -6.754566 1 781 1 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 0 -13.452269 13.947311 -7.449068 1 782 1 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 0 -12.42791 14.143436 -5.512807 1 783 1 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 0 -9.432516 14.214184 -10.704906 1 784 1 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 0 -8.360502 14.797426 -11.489326 1 785 1 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 0 -6.986885 14.665886 -10.875455 1 786 1 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 0 -6.0268593 15.235285 -11.404404 1 787 1 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 0 -6.879593 13.937202 -9.761644 1 788 1 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 0 -5.604993 13.72481 -9.082743 1 789 1 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 0 -5.171299 12.276667 -9.251675 1 790 1 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 0 -5.963191 11.414282 -9.644596 1 791 1 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 0 -5.7326736 14.04999 -7.58941 1 792 1 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 0 -6.2809944 15.430199 -7.2758446 1 793 1 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 0 -6.593669 15.552719 -5.793265 1 794 1 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 0 -7.3792987 16.820534 -5.4920444 1 795 1 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 0 -7.7688885 16.866596 -4.060247 1 796 1 +ATOM N N . SER A0 1 105 . 105 SER A0 N 0 -3.9132695 12.019619 -8.933132 1 797 1 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 0 -3.4406538 10.641714 -8.956268 1 798 1 +ATOM C C . SER A0 1 105 . 105 SER A0 C 0 -2.308712 10.454781 -7.957417 1 799 1 +ATOM O O . SER A0 1 105 . 105 SER A0 O 0 -1.6031902 11.403993 -7.607835 1 800 1 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 0 -2.9775329 10.230965 -10.359135 1 801 1 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 0 -1.7759631 10.885867 -10.720547 1 802 1 +ATOM N N . THR A0 1 106 . 106 THR A0 N 0 -2.1740417 9.246132 -7.488172 1 803 1 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 0 -1.0582508 8.871515 -6.627008 1 804 1 +ATOM C C . THR A0 1 106 . 106 THR A0 C 0 -0.62451667 7.4747486 -7.0277824 1 805 1 +ATOM O O . THR A0 1 106 . 106 THR A0 O 0 -1.4466507 6.6678133 -7.4931784 1 806 1 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 0 -1.4369326 8.93885 -5.126872 1 807 1 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 0 -0.2726547 8.708579 -4.322768 1 808 1 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 0 -2.5048978 7.9062934 -4.768032 1 809 1 +ATOM N N . THR A0 1 107 . 107 THR A0 N 0 0.66625017 7.1824107 -6.870039 1 810 1 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 0 1.191407 5.87899 -7.2383957 1 811 1 +ATOM C C . THR A0 1 107 . 107 THR A0 C 0 1.8001853 5.1984224 -6.0181584 1 812 1 +ATOM O O . THR A0 1 107 . 107 THR A0 O 0 2.5452714 5.8251276 -5.254848 1 813 1 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 0 2.251539 6.0030456 -8.350801 1 814 1 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 0 1.6243193 6.5126095 -9.52883 1 815 1 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 0 2.8585722 4.632498 -8.679027 1 816 1 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 0 1.467598 3.9278173 -5.8453712 1 817 1 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 0 1.9875363 3.1156476 -4.7538195 1 818 1 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 0 2.686139 1.9016614 -5.3615627 1 819 1 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 0 2.0608113 1.1283994 -6.097518 1 820 1 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 0 0.8564534 2.658515 -3.8128629 1 821 1 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 0 0.1227894 3.8711507 -3.22469 1 822 1 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 0 1.4065677 1.7582595 -2.7118497 1 823 1 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 0 -1.259495 3.531493 -2.683358 1 824 1 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 0 3.9756534 1.7642404 -5.0759006 1 825 1 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 0 4.739532 0.6214378 -5.566679 1 826 1 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 0 5.0683513 -0.31399453 -4.414506 1 827 1 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 0 5.4827585 0.14627826 -3.3386984 1 828 1 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 0 6.0430675 1.0793583 -6.243048 1 829 1 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 0 5.830944 1.8523648 -7.5252185 1 830 1 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 0 7.181921 2.2606049 -8.120926 1 831 1 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 0 6.99094 2.9640715 -9.462399 1 832 1 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 0 8.288948 3.3542912 -10.046024 1 833 1 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 0 4.8888426 -1.5967705 -4.636264 1 834 1 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 0 5.212961 -2.606944 -3.6442375 1 835 1 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 0 6.2409234 -3.541504 -4.243596 1 836 1 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 0 6.0255566 -4.10961 -5.321565 1 837 1 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 0 3.9534125 -3.369547 -3.2270787 1 838 1 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 0 2.8985348 -2.479379 -2.5672803 1 839 1 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 0 1.6368392 -3.2618785 -2.2141972 1 840 1 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 0 0.660202 -2.4422572 -1.4743328 1 841 1 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 0 -0.3095699 -1.7278522 -2.070631 1 842 1 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 0 -0.43257898 -1.7150828 -3.3991423 1 843 1 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 0 -1.1377532 -1.0091634 -1.3283963 1 844 1 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 0 7.37696 -3.6996717 -3.5794797 1 845 1 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 0 8.455962 -4.5249796 -4.10009 1 846 1 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 0 9.102562 -5.3360724 -2.989658 1 847 1 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 0 9.068378 -4.954259 -1.8203261 1 848 1 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 0 9.5238285 -3.656279 -4.7836094 1 849 1 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 0 10.272202 -2.7168698 -3.8298194 1 850 1 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 0 11.33047 -1.9160241 -4.5842466 1 851 1 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 0 12.037862 -0.9521133 -3.637127 1 852 1 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 0 13.088337 -0.18019553 -4.3272247 1 853 1 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 0 9.687483 -6.445256 -3.382484 1 854 1 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 0 10.490831 -7.226879 -2.4562328 1 855 1 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 0 11.925272 -6.733871 -2.518722 1 856 1 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 0 12.487915 -6.571493 -3.6171246 1 857 1 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 0 10.416388 -8.711859 -2.8075337 1 858 1 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 0 9.131277 -9.41445 -2.4069402 1 859 1 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 0 9.020575 -9.563115 -0.8967773 1 860 1 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 0 10.262426 -10.016121 -0.27563107 1 861 1 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 0 10.65793 -11.2865505 -0.19779944 1 862 1 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 0 9.890606 -12.243992 -0.6929263 1 863 1 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 0 11.814982 -11.569213 0.38212094 1 864 1 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 0 12.489527 -6.482862 -1.354748 1 865 1 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 0 13.885947 -6.092812 -1.2389044 1 866 1 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 0 14.464028 -6.8416414 -0.046124674 1 867 1 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 0 13.999569 -6.6762877 1.0816152 1 868 1 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 0 14.000364 -4.575763 -1.0463943 1 869 1 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 0 15.420868 -4.0810146 -0.8518685 1 870 1 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 0 15.499651 -2.5917447 -0.66385555 1 871 1 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 0 15.027553 -1.8426057 -1.5395591 1 872 1 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 0 16.014053 -2.1492987 0.38882014 1 873 1 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 0 15.466541 -7.662263 -0.31808966 1 874 1 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 0 15.972363 -8.569673 0.70288026 1 875 1 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 0 14.809544 -9.371388 1.2630315 1 876 1 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 0 14.048554 -9.955378 0.488866 1 877 1 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 0 16.746113 -7.794608 1.7879695 1 878 1 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 0 17.988543 -7.1034203 1.2388675 1 879 1 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 0 18.515423 -7.5682964 0.21256873 1 880 1 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 0 18.431572 -6.102643 1.8342346 1 881 1 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 0 14.629535 -9.404365 2.5753083 1 882 1 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 0 13.506688 -10.122888 3.1693864 1 883 1 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 0 12.343598 -9.196972 3.4946122 1 884 1 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 0 11.443141 -9.579178 4.242325 1 885 1 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 0 13.950487 -10.8482 4.4451194 1 886 1 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 0 14.927689 -11.9607525 4.1638937 1 887 1 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 0 14.670492 -12.76147 3.2281551 1 888 1 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 0 15.952572 -12.046045 4.8651166 1 889 1 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 0 12.349911 -8.001223 2.9185123 1 890 1 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 0 11.34951 -6.9920454 3.2397661 1 891 1 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 0 10.382328 -6.780508 2.0854852 1 892 1 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 0 10.681053 -7.07974 0.91866356 1 893 1 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 0 12.036097 -5.658378 3.5895772 1 894 1 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 0 13.034614 -5.751228 4.7187085 1 895 1 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 0 13.690767 -4.4071245 5.012702 1 896 1 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 0 15.0066185 -4.198086 4.2900114 1 897 1 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 0 14.82235 -3.7442324 2.8657298 1 898 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 9.227133 -6.247987 2.4236684 1 899 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 8.289761 -5.7377524 1.4440355 1 900 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 8.294151 -4.2281733 1.6060481 1 901 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 7.927487 -3.7037668 2.6579661 1 902 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 6.888501 -6.313366 1.6818724 1 903 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 5.837054 -6.1402397 0.5789488 1 904 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 4.6784663 -7.096625 0.829076 1 905 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 5.335742 -4.7226267 0.47639117 1 906 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 8.756916 -3.5351076 0.5736226 1 907 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 8.910267 -2.08664 0.6254317 1 908 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 7.7941737 -1.433705 -0.17633402 1 909 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 7.5775833 -1.7816758 -1.3458135 1 910 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 10.286092 -1.650087 0.08626868 1 911 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 10.42954 -0.14404115 0.1421201 1 912 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 11.399386 -2.333519 0.8938589 1 913 1 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 0 7.102771 -0.5020576 0.47000635 1 914 1 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 0 5.9977503 0.20905645 -0.1526664 1 915 1 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 0 6.4079757 1.6625563 -0.33119076 1 916 1 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 0 6.7311764 2.34974 0.64276564 1 917 1 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 0 4.722476 0.12518024 0.719628 1 918 1 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 0 3.5521421 0.80392337 0.015213115 1 919 1 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 0 4.3845396 -1.3254433 1.0436726 1 920 1 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 0 6.42686 2.1296062 -1.5743946 1 921 1 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 0 6.79188 3.5059981 -1.8813702 1 922 1 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 0 5.5781627 4.2195864 -2.4593258 1 923 1 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 0 4.997534 3.7687855 -3.4539847 1 924 1 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 0 7.9568815 3.5531974 -2.8637207 1 925 1 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 0 9.228567 2.9306145 -2.3036892 1 926 1 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 0 10.399597 2.995908 -3.2724352 1 927 1 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 0 11.552744 3.11413 -2.7929301 1 928 1 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 0 10.1701355 2.9181366 -4.4935665 1 929 1 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 0 5.1813707 5.3008046 -1.8087392 1 930 1 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 0 3.981649 6.044032 -2.1777117 1 931 1 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 0 4.3638678 7.440319 -2.6219358 1 932 1 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 0 5.114472 8.118882 -1.9240878 1 933 1 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 0 3.0357776 6.1474514 -0.9793861 1 934 1 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 0 2.8308406 4.6618643 -0.07019063 1 935 1 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 0 3.8556094 7.878899 -3.7501235 1 936 1 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 0 4.187519 9.193972 -4.280177 1 937 1 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 0 2.9128928 9.98658 -4.5562897 1 938 1 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 0 1.9888027 9.4757595 -5.2047653 1 939 1 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 0 5.0289345 9.089653 -5.572781 1 940 1 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 0 5.3137436 10.47323 -6.135065 1 941 1 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 0 6.32319 8.3441925 -5.3058987 1 942 1 +ATOM N N . MET A0 1 123 . 123 MET A0 N 0 2.8822722 11.20175 -4.052426 1 943 1 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 0 1.8105476 12.151604 -4.340926 1 944 1 +ATOM C C . MET A0 1 123 . 123 MET A0 C 0 2.467759 13.48113 -4.6423564 1 945 1 +ATOM O O . MET A0 1 123 . 123 MET A0 O 0 3.0986028 14.069323 -3.7689612 1 946 1 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 0 0.86410284 12.272888 -3.1564832 1 947 1 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 0 -0.22915943 13.317088 -3.3416016 1 948 1 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 0 -1.4123471 12.785327 -4.5830927 1 949 1 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 0 -2.4261003 14.263403 -4.742505 1 950 1 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 0 2.3434901 13.921362 -5.8713455 1 951 1 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 0 3.0427108 15.117456 -6.3464785 1 952 1 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 0 4.5186386 15.018541 -5.981531 1 953 1 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 0 5.1666746 14.035509 -6.378832 1 954 1 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 0 2.3623757 16.376328 -5.793157 1 955 1 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 0 0.904383 16.519785 -6.2771525 1 956 1 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 0 0.29201376 17.851795 -5.889249 1 957 1 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 0 -0.08596814 17.895185 -4.4460297 1 958 1 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 0 -0.7751063 19.17673 -4.094321 1 959 1 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 0 5.0900145 15.94989 -5.2413845 1 960 1 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 0 6.5191298 15.892687 -4.9515204 1 961 1 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 0 6.9141626 15.110506 -3.7214985 1 962 1 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 0 8.104182 15.065308 -3.385477 1 963 1 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 0 5.956959 14.496611 -3.0440454 1 964 1 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 0 6.2147117 13.859449 -1.755986 1 965 1 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 0 6.290149 12.342228 -1.9079143 1 966 1 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 0 5.3986125 11.725887 -2.4997418 1 967 1 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 0 5.1280565 14.236706 -0.7299555 1 968 1 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 0 5.328185 13.4762 0.57227623 1 969 1 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 0 5.1400676 15.738304 -0.48359385 1 970 1 +ATOM N N . THR A0 1 127 . 127 THR A0 N 0 7.346312 11.753355 -1.360831 1 971 1 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 0 7.524542 10.310319 -1.3707395 1 972 1 +ATOM C C . THR A0 1 127 . 127 THR A0 C 0 7.535554 9.784405 0.05525462 1 973 1 +ATOM O O . THR A0 1 127 . 127 THR A0 O 0 8.256048 10.294629 0.912465 1 974 1 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 0 8.8364315 9.917984 -2.0708842 1 975 1 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 0 8.808392 10.357588 -3.4232397 1 976 1 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 0 9.02932 8.39705 -2.0458775 1 977 1 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 0 6.7362432 8.771729 0.29400373 1 978 1 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 0 6.6795845 8.069029 1.5710967 1 979 1 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 0 7.206351 6.658807 1.3597664 1 980 1 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 0 6.9246426 6.04094 0.33277398 1 981 1 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 0 5.238184 8.027641 2.0687332 1 982 1 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 0 4.9223166 6.881912 3.4093142 1 983 1 +ATOM N N . THR A0 1 129 . 129 THR A0 N 0 7.972956 6.144142 2.32389 1 984 1 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 0 8.444067 4.7718697 2.2673206 1 985 1 +ATOM C C . THR A0 1 129 . 129 THR A0 C 0 8.002027 4.036416 3.524025 1 986 1 +ATOM O O . THR A0 1 129 . 129 THR A0 O 0 8.245513 4.508287 4.6434264 1 987 1 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 0 9.979248 4.7110434 2.1455245 1 988 1 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 0 10.38732 5.400558 0.9715271 1 989 1 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 0 10.445954 3.2544332 2.0574937 1 990 1 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 0 7.3885527 2.8846607 3.3329537 1 991 1 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 0 6.930243 2.053985 4.446376 1 992 1 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 0 7.4703693 0.64769185 4.252516 1 993 1 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 0 7.3531923 0.071027316 3.1516657 1 994 1 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 0 5.4090195 2.070055 4.5536776 1 995 1 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 0 4.9184012 3.4130945 5.0987062 1 996 1 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 0 3.4731925 3.685464 4.841717 1 997 1 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 0 2.5190988 2.8663025 5.597269 1 998 1 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 0 2.1725552 3.0678017 6.8673553 1 999 1 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 0 2.7400184 4.0443883 7.577887 1 1000 1 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 0 1.2617934 2.2932067 7.428367 1 1001 1 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 0 8.087883 0.12935412 5.2865076 1 1002 1 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 0 8.791018 -1.1463819 5.205138 1 1003 1 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 0 8.090129 -2.1902258 6.059981 1 1004 1 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 0 7.7970724 -1.9424174 7.2392397 1 1005 1 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 0 10.26531 -1.0055149 5.638893 1 1006 1 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 0 10.977827 -2.3449852 5.5550904 1 1007 1 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 0 10.97502 0.03430799 4.7733517 1 1008 1 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 0 7.8551035 -3.3387702 5.4546437 1 1009 1 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 0 7.2185965 -4.4632626 6.126299 1 1010 1 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 0 8.175922 -5.6426673 6.1894927 1 1011 1 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 0 8.986422 -5.85157 5.2849193 1 1012 1 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 0 5.961396 -4.903291 5.365536 1 1013 1 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 0 4.804909 -3.9440413 5.4429092 1 1014 1 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 0 4.792738 -2.7641869 4.7028255 1 1015 1 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 0 3.7157192 -4.204296 6.2665443 1 1016 1 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 0 3.731018 -1.8830541 4.7827444 1 1017 1 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 0 2.646633 -3.3317957 6.351304 1 1018 1 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 0 2.6605399 -2.1733649 5.600891 1 1019 1 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 0 1.6193866 -1.3027627 5.6824455 1 1020 1 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 0 8.081394 -6.4206343 7.2508154 1 1021 1 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 0 8.791664 -7.684282 7.3814483 1 1022 1 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 0 7.787674 -8.802368 7.5975246 1 1023 1 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 0 6.6469383 -8.553828 7.9795513 1 1024 1 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 0 9.793793 -7.6176157 8.530047 1 1025 1 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 0 10.957116 -6.6832557 8.243954 1 1026 1 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 0 11.953445 -6.5833817 9.373983 1 1027 1 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 0 12.952493 -5.856145 9.211489 1 1028 1 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 0 11.74361 -7.2273564 10.430435 1 1029 1 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 0 8.225513 -10.027353 7.361192 1 1030 1 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 0 7.3076763 -11.155317 7.529543 1 1031 1 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 0 6.863949 -11.261633 8.980085 1 1032 1 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 0 7.6672864 -11.097446 9.898308 1 1033 1 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 0 7.971035 -12.452158 7.066813 1 1034 1 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 0 8.160349 -12.480497 5.555112 1 1035 1 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 0 8.000507 -13.886698 4.984827 1 1036 1 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 0 8.26906 -13.895224 3.5340621 1 1037 1 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 0 7.3137655 -13.926685 2.6138349 1 1038 1 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 0 7.648462 -13.934931 1.3237906 1 1039 1 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 0 6.026252 -13.955595 2.966858 1 1040 1 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 0 5.577707 -11.497379 9.164051 1 1041 1 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 0 5.0148296 -11.597601 10.488743 1 1042 1 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 0 5.215835 -13.006758 11.036308 1 1043 1 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 0 5.6740336 -13.903784 10.343534 1 1044 1 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 0 3.5294924 -11.224886 10.480181 1 1045 1 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 0 4.96626 -13.211373 12.226121 1 1046 1 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 0 11.480139 -15.136458 -0.4277984 1 1047 1 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 0 12.120809 -14.931234 -1.7199743 1 1048 1 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 0 12.678075 -14.98036 0.78964335 1 1049 1 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 0 10.779383 -16.69337 -0.36481524 1 1050 1 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 0 -4.791627 -1.8424454 0.39275584 1 1051 1 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 0 -5.244994 -0.46619862 0.63697624 1 1052 1 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 0 -3.3286476 -2.0817194 1.2771168 1 1053 1 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 0 -5.9804792 -2.9127574 0.99934113 1 1054 1 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 0 -9.12383 6.3701806 8.693734 1 1055 1 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 0 -9.329349 5.16446 9.495196 1 1056 1 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 0 -7.5227966 6.2330465 7.997657 1 1057 1 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 0 -10.39205 6.459202 7.52958 1 1058 1 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 0 -2.4417887 2.6126623 5.108287 1 1059 1 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 0 -2.638236 3.6199112 4.115036 1 1060 1 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 0 -1.8965062 3.6417134 2.9870112 1 1061 1 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 0 -0.9238682 2.7396264 2.7524452 1 1062 1 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 0 -0.6514385 1.7282588 3.7176843 1 1063 1 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 0 -1.419609 1.6865231 4.8716655 1 1064 1 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 0 -4.228606 6.862809 4.0440817 1 1065 1 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 0 0.4276156 0.70530343 3.5106125 1 1066 1 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 0 -3.2639568 2.5550008 6.3246136 1 1067 1 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 0 -2.8775206 3.2699976 7.4505653 1 1068 1 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 0 -3.65279 3.1960897 8.624794 1 1069 1 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 0 -4.788056 2.36607 8.6729145 1 1070 1 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 0 -5.148987 1.6355636 7.527031 1 1071 1 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 0 -4.382563 1.7218678 6.368267 1 1072 1 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 0 -3.557517 4.565323 4.296176 1 1073 1 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 0 -0.12570184 2.8800817 1.4589734 1 1074 1 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 0 1.1486087 2.8948474 1.7126846 1 1075 1 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 0 -0.42649817 1.883807 0.6519288 1 1076 1 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 0 -0.4273167 4.009796 0.8654066 1 1077 1 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 0 -3.5896864 5.687077 3.3649373 1 1078 1 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 0 -3.538384 7.184424 5.1158905 1 1079 1 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 0 -5.4332066 6.540416 4.4205694 1 1080 1 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 0 -4.2665625 7.8750143 3.2125134 1 1081 1 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 0 0.26685238 -0.19553842 2.6780858 1 1082 1 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 0 1.4475961 0.8144711 4.23951 1 1083 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +3 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2.cif new file mode 100644 index 0000000000000000000000000000000000000000..d391efab378f2b7caa0709e6d9f147a7de43bca1 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2.cif @@ -0,0 +1,1402 @@ +data_7fwf-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 95.7 1.4620426 21.949236 11.357274 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 96.48 0.6020535 22.304985 10.237794 1 2 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 96.88 0.04680221 21.088661 9.536028 1 3 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 95.7 0.4504859 19.952404 9.814288 1 4 +ATOM N N . SER A0 1 2 . 2 SER A0 N 96.48 -0.8897955 21.313322 8.6309805 1 5 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 96.88 -1.50789 20.235168 7.8737297 1 6 +ATOM C C . SER A0 1 2 . 2 SER A0 C 96.88 -0.5463338 19.691366 6.8243523 1 7 +ATOM O O . SER A0 1 2 . 2 SER A0 O 95.7 0.39536488 20.378391 6.4029856 1 8 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 96.48 -2.7903864 20.719803 7.209217 1 9 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 95.7 -3.7485528 21.1321 8.168686 1 10 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 96.09 -0.789132 18.470242 6.412527 1 11 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 96.48 -0.009474525 17.826897 5.357945 1 12 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 96.88 -0.9519495 17.195398 4.3495226 1 13 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 95.7 -2.103458 16.891008 4.6629543 1 14 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 96.09 0.91376877 16.75606 5.9477224 1 15 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 96.48 1.9432244 17.284061 6.898648 1 16 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 95.31 1.6818919 17.498652 8.230453 1 17 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 94.92 3.2259474 17.626736 6.699088 1 18 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 94.53 2.7633867 17.969528 8.814373 1 19 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 94.92 3.7212386 18.047455 7.9016294 1 20 +ATOM N N . MET A0 1 4 . 4 MET A0 N 96.48 -0.45756164 16.997227 3.1482801 1 21 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 96.88 -1.2492044 16.340382 2.1048346 1 22 +ATOM C C . MET A0 1 4 . 4 MET A0 C 96.88 -1.7168782 14.956074 2.5632553 1 23 +ATOM O O . MET A0 1 4 . 4 MET A0 O 95.7 -2.8288894 14.532748 2.233585 1 24 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 95.7 -0.44109002 16.212952 0.81909764 1 25 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 94.92 -0.2070287 17.535183 0.100339085 1 26 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 94.53 -1.7157971 18.202885 -0.63507986 1 27 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 92.97 -2.0171287 17.005047 -1.9221132 1 28 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 95.31 -0.8819642 14.270308 3.3299572 1 29 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 96.09 -1.2104247 12.920555 3.7718644 1 30 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 96.09 -2.3277473 12.870815 4.809466 1 31 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 94.92 -2.8395925 11.793149 5.0981045 1 32 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 94.53 0.031951003 12.2271805 4.3304596 1 33 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 93.36 1.0998114 11.585699 3.0393767 1 34 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 96.09 -2.7331533 14.022547 5.3419256 1 35 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 96.48 -3.813283 14.042962 6.3207073 1 36 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 97.27 -5.096407 13.42515 5.7723436 1 37 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 96.09 -5.879347 12.847057 6.5290356 1 38 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 95.31 -4.0965805 15.47729 6.7804546 1 39 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 94.92 -2.9883456 16.049002 7.636103 1 40 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 93.75 -2.0413837 15.306528 7.983708 1 41 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 92.97 -3.0689683 17.247313 7.9787073 1 42 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 95.7 -5.3358135 13.553739 4.471506 1 43 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 97.27 -6.5581512 13.0364685 3.8682036 1 44 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 97.66 -6.6287374 11.511813 3.8960147 1 45 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 97.27 -7.7105436 10.943296 3.7423782 1 46 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 95.31 -6.686075 13.5268135 2.4277306 1 47 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 98.05 -5.4934006 10.84893 4.0707455 1 48 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 98.05 -5.448565 9.392686 4.121229 1 49 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 97.66 -5.573373 8.851772 5.5405345 1 50 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 97.27 -5.8779726 7.67282 5.7237625 1 51 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 98.05 -4.140971 8.879364 3.5093362 1 52 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 98.05 -4.002842 9.17151 2.0430198 1 53 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 98.05 -3.2625842 10.257143 1.6035638 1 54 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 98.05 -4.612249 8.355997 1.1093614 1 55 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 98.05 -3.1321902 10.532843 0.2468335 1 56 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 97.66 -4.4864573 8.625639 -0.24634697 1 57 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 97.66 -3.7453008 9.714588 -0.67223465 1 58 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 98.05 -5.334666 9.679177 6.537451 1 59 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 98.44 -5.2407703 9.220731 7.918165 1 60 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 98.05 -6.601459 8.746269 8.410803 1 61 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 97.66 -7.6127677 9.424794 8.223238 1 62 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 97.66 -4.680297 10.333691 8.833063 1 63 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 96.88 -4.8006086 9.946831 10.299279 1 64 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 96.88 -3.2288861 10.627996 8.457235 1 65 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 98.05 -6.6000175 7.599886 9.063068 1 66 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 98.05 -7.815999 7.068465 9.65312 1 67 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 98.44 -7.8651066 5.5619187 9.568665 1 68 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 98.05 -6.8849406 4.9021826 9.22472 1 69 +ATOM N N . THR A0 1 11 . 11 THR A0 N 98.44 -9.014855 5.0215197 9.901199 1 70 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 98.44 -9.255739 3.5861053 9.855665 1 71 +ATOM C C . THR A0 1 11 . 11 THR A0 C 98.44 -10.23015 3.2972353 8.728464 1 72 +ATOM O O . THR A0 1 11 . 11 THR A0 O 98.44 -11.298192 3.9132094 8.641441 1 73 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 98.05 -9.811072 3.074747 11.196907 1 74 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 93.75 -8.871811 3.3884184 12.227058 1 75 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 94.53 -10.02849 1.5627217 11.148421 1 76 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 98.83 -9.861792 2.3817852 7.8579426 1 77 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 98.44 -10.596497 2.0986075 6.639389 1 78 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 98.44 -10.947499 0.61749995 6.5699377 1 79 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 98.05 -10.176195 -0.23003618 7.0319114 1 80 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 98.44 -9.759893 2.482171 5.413762 1 81 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 98.83 -9.310588 3.9038606 5.389881 1 82 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 98.83 -8.151532 4.3965735 5.9263678 1 83 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 98.83 -9.98786 5.0087256 4.7999496 1 84 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 98.83 -8.067819 5.7476 5.701957 1 85 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 98.83 -9.187671 6.1535397 5.0182953 1 86 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 98.83 -11.193732 5.1504507 4.1141443 1 87 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 98.83 -9.557928 7.4150076 4.5530787 1 88 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 98.83 -11.557455 6.3993745 3.6641545 1 89 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 98.44 -10.744438 7.5159006 3.8897188 1 90 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 98.83 -12.110287 0.32552224 5.9939284 1 91 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 98.44 -12.535665 -1.0568132 5.8217916 1 92 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 98.44 -12.817175 -1.3337901 4.347483 1 93 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 98.05 -13.417668 -0.5135679 3.6572618 1 94 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 98.05 -13.780811 -1.3602501 6.671857 1 95 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 94.92 -15.001011 -0.52952033 6.304222 1 96 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 94.14 -16.188066 -0.9115368 7.1794825 1 97 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 92.58 -17.401981 -0.0648135 6.8398333 1 98 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 91.41 -18.568245 -0.4333511 7.67126 1 99 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 98.44 -12.387995 -2.507821 3.8954053 1 100 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 98.44 -12.609142 -2.891862 2.50518 1 101 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 98.05 -14.093021 -3.151277 2.251638 1 102 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 98.05 -14.734385 -3.8962717 2.9956133 1 103 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 98.05 -11.811243 -4.1438456 2.1600404 1 104 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 98.05 -11.889011 -4.58928 0.7000943 1 105 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 98.05 -11.47262 -6.047805 0.5685001 1 106 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 98.05 -11.0168495 -3.696538 -0.16971004 1 107 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 98.44 -14.642223 -2.527646 1.1974816 1 108 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 98.44 -16.03961 -2.7484725 0.8457167 1 109 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 98.44 -16.222712 -3.2753444 -0.5711821 1 110 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 97.66 -17.30257 -3.7697573 -0.89820766 1 111 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 97.66 -16.88554 -1.4668627 1.0257838 1 112 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 95.7 -16.901806 -1.04022 2.4974656 1 113 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 95.31 -16.36775 -0.34916195 0.13914111 1 114 +ATOM N N . SER A0 1 16 . 16 SER A0 N 98.44 -15.20034 -3.1907964 -1.3937908 1 115 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 98.44 -15.309892 -3.6435084 -2.77489 1 116 +ATOM C C . SER A0 1 16 . 16 SER A0 C 98.44 -13.946003 -4.0612817 -3.3099148 1 117 +ATOM O O . SER A0 1 16 . 16 SER A0 O 98.44 -12.927406 -3.4486156 -2.9600124 1 118 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 97.66 -15.907249 -2.5356953 -3.6468515 1 119 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 95.31 -15.934908 -2.9022748 -5.0091524 1 120 +ATOM N N . SER A0 1 17 . 17 SER A0 N 98.44 -13.946399 -5.0770774 -4.147011 1 121 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 98.44 -12.714607 -5.5502105 -4.7589827 1 122 +ATOM C C . SER A0 1 17 . 17 SER A0 C 98.44 -13.006705 -6.072344 -6.159133 1 123 +ATOM O O . SER A0 1 17 . 17 SER A0 O 98.05 -13.931793 -6.868244 -6.339138 1 124 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 98.05 -12.075554 -6.6390576 -3.9028249 1 125 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 96.09 -10.831247 -7.041611 -4.438526 1 126 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 98.44 -12.262813 -5.6092863 -7.137541 1 127 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 98.44 -12.439444 -6.031949 -8.515307 1 128 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 98.44 -11.105024 -6.489751 -9.094975 1 129 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 98.44 -10.10315 -5.7728133 -8.997782 1 130 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 98.05 -13.001097 -4.8908486 -9.374584 1 131 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 92.19 -14.397915 -4.4613 -8.968932 1 132 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 89.84 -14.880312 -3.232594 -9.716228 1 133 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 89.45 -16.021423 -2.787672 -9.461442 1 134 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 89.45 -14.128223 -2.6965647 -10.5637665 1 135 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 98.05 -11.090569 -7.68713 -9.676437 1 136 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 98.44 -9.944063 -8.275691 -10.366485 1 137 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 98.44 -8.776355 -8.6253195 -9.4409 1 138 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 98.44 -7.6478944 -8.793147 -9.900255 1 139 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 97.66 -9.45039 -7.3625245 -11.492514 1 140 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 96.48 -10.448399 -7.212944 -12.600028 1 141 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 94.53 -11.260515 -8.104378 -12.8277 1 142 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 94.53 -10.382414 -6.0849314 -13.308097 1 143 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 98.44 -9.012333 -8.748692 -8.134075 1 144 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 98.44 -7.921365 -9.037583 -7.2031384 1 145 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 98.83 -7.3169484 -10.416851 -7.4686117 1 146 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 98.44 -6.0956326 -10.584881 -7.3588843 1 147 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 98.05 -8.41926 -8.914794 -5.763315 1 148 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 98.44 -7.320789 -8.941629 -4.7319245 1 149 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 98.44 -7.4028378 -9.812418 -3.6544762 1 150 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 98.44 -6.233714 -8.093967 -4.8267326 1 151 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 98.44 -6.409702 -9.83364 -2.680758 1 152 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 98.44 -5.2372146 -8.109829 -3.8604796 1 153 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 98.44 -5.3252697 -8.980418 -2.7858357 1 154 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 98.44 -8.154447 -11.393705 -7.819308 1 155 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 98.44 -7.6335325 -12.723186 -8.117884 1 156 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 98.44 -6.710214 -12.696389 -9.334342 1 157 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 98.44 -5.6401973 -13.306084 -9.322905 1 158 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 98.05 -8.782661 -13.714027 -8.344994 1 159 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 98.05 -8.284481 -15.133932 -8.530031 1 160 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 97.66 -7.8051896 -15.719716 -7.5346484 1 161 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 98.05 -8.349375 -15.665699 -9.660719 1 162 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 98.44 -7.1091537 -11.995455 -10.386845 1 163 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 98.05 -6.269191 -11.87134 -11.578926 1 164 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 98.44 -4.9554787 -11.15664 -11.249676 1 165 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 98.44 -3.8906999 -11.538404 -11.742226 1 166 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 98.44 -7.0151005 -11.113791 -12.679643 1 167 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 96.48 -8.171508 -11.89576 -13.265209 1 168 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 94.92 -8.097767 -13.143082 -13.293824 1 169 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 95.31 -9.146175 -11.257523 -13.700476 1 170 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 98.44 -5.0396223 -10.124945 -10.436815 1 171 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 98.44 -3.833822 -9.411509 -10.007805 1 172 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 98.44 -2.896811 -10.3391695 -9.238155 1 173 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 98.44 -1.6878648 -10.383972 -9.509398 1 174 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 98.05 -4.2246056 -8.1905575 -9.157544 1 175 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 98.44 -3.0440092 -7.4621253 -8.548157 1 176 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 98.83 -2.774958 -7.565172 -7.1839805 1 177 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 98.83 -2.218048 -6.667391 -9.323733 1 178 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 98.83 -1.7031547 -6.8935537 -6.6183825 1 179 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 98.44 -1.1422873 -5.987116 -8.762149 1 180 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 98.83 -0.8954693 -6.1093287 -7.4125814 1 181 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 98.83 0.16576864 -5.4396152 -6.8532786 1 182 +ATOM N N . MET A0 1 24 . 24 MET A0 N 98.83 -3.4570649 -11.1009865 -8.286885 1 183 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 98.83 -2.6364021 -12.0334015 -7.5247736 1 184 +ATOM C C . MET A0 1 24 . 24 MET A0 C 98.05 -2.0092914 -13.092699 -8.432186 1 185 +ATOM O O . MET A0 1 24 . 24 MET A0 O 98.05 -0.8428062 -13.454188 -8.246843 1 186 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 98.05 -3.4729996 -12.699221 -6.4289427 1 187 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 97.27 -3.8306136 -11.765262 -5.2831583 1 188 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 97.66 -4.6053486 -12.657267 -3.8964806 1 189 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 95.7 -6.18454 -13.09932 -4.6314125 1 190 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 98.44 -2.770559 -13.594155 -9.413513 1 191 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 98.44 -2.2144027 -14.551936 -10.371345 1 192 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 98.05 -1.0040858 -13.968456 -11.078089 1 193 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 98.05 0.020879027 -14.632919 -11.236 1 194 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 98.44 -3.2558305 -14.946903 -11.418709 1 195 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 97.66 -4.309815 -15.9240265 -10.954891 1 196 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 97.66 -5.200509 -16.318615 -12.129427 1 197 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 96.88 -6.4044914 -17.132776 -11.689775 1 198 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 96.48 -7.279537 -17.46017 -12.840502 1 199 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 98.44 -1.1286128 -12.72747 -11.5107975 1 200 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 98.44 -0.047363132 -12.095227 -12.246607 1 201 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 98.44 1.1786847 -11.884987 -11.358007 1 202 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 98.05 2.313229 -11.886858 -11.859395 1 203 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 98.05 -0.51713824 -10.763311 -12.842394 1 204 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 96.48 0.24603733 -10.340048 -14.088623 1 205 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 97.66 0.071880326 -11.302738 -15.250513 1 206 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 96.09 -0.89784694 -12.095171 -15.259466 1 207 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 96.09 0.92585397 -11.262421 -16.156813 1 208 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 98.44 0.95920646 -11.708397 -10.062931 1 209 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 98.44 2.0640366 -11.615261 -9.11104 1 210 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 98.44 2.7431822 -12.966118 -8.874307 1 211 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 98.44 3.8405948 -13.008949 -8.30198 1 212 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 98.44 1.5720012 -11.075337 -7.7652783 1 213 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 98.44 1.2190452 -9.588398 -7.6630526 1 214 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 98.44 0.66070426 -9.296454 -6.2664557 1 215 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 98.44 2.4272976 -8.712916 -7.9358263 1 216 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 98.44 2.0952942 -14.060566 -9.291608 1 217 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 98.44 2.606076 -15.402058 -9.053421 1 218 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 98.44 2.0928817 -16.041897 -7.782806 1 219 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 98.44 2.6665401 -17.029774 -7.3150883 1 220 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 98.44 1.0086448 -15.510498 -7.2300797 1 221 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 98.44 0.45556518 -16.031895 -5.9831133 1 222 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 98.44 -0.22246976 -17.376476 -6.2402306 1 223 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 98.05 -0.99578035 -17.522354 -7.194617 1 224 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 98.05 -0.5402057 -15.029583 -5.363415 1 225 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 97.66 -1.1446462 -15.5964365 -4.0866823 1 226 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 97.66 0.14995438 -13.690231 -5.083403 1 227 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 98.05 0.066654 -18.366137 -5.390066 1 228 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 98.05 -0.49980617 -19.694275 -5.54774 1 229 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 98.44 -1.9699719 -19.769516 -5.1817613 1 230 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 98.44 -2.54217 -18.843796 -4.6068573 1 231 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 98.05 -2.5848117 -20.890934 -5.5251765 1 232 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 98.05 -4.0309076 -21.06363 -5.3748765 1 233 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 98.05 -4.5202756 -20.816702 -3.9482374 1 234 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 98.05 -5.4501476 -20.034174 -3.7217963 1 235 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 98.05 -4.4321604 -22.469736 -5.8290067 1 236 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 97.66 -5.881965 -22.780869 -5.6197424 1 237 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 97.27 -6.3083925 -23.422306 -4.46663 1 238 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 97.27 -6.816781 -22.432095 -6.5739775 1 239 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 96.88 -7.6495237 -23.708706 -4.2708125 1 240 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 96.88 -8.158764 -22.718363 -6.387054 1 241 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 96.48 -8.573289 -23.354767 -5.232953 1 242 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 97.66 -3.9132369 -21.497478 -2.9710224 1 243 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 98.05 -4.398594 -21.40011 -1.5973403 1 244 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 98.05 -4.3084927 -19.96788 -1.0670326 1 245 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 98.05 -5.2369156 -19.479675 -0.41467288 1 246 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 97.66 -3.6185265 -22.351288 -0.69372344 1 247 +ATOM N N . THR A0 1 33 . 33 THR A0 N 97.66 -3.2048354 -19.316704 -1.3694152 1 248 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 98.05 -3.0362072 -17.940357 -0.9094625 1 249 +ATOM C C . THR A0 1 33 . 33 THR A0 C 98.05 -4.0007257 -16.998163 -1.6148832 1 250 +ATOM O O . THR A0 1 33 . 33 THR A0 O 98.05 -4.534508 -16.070942 -0.99386907 1 251 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 97.27 -1.5776176 -17.47662 -1.1043755 1 252 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 94.92 -0.71028864 -18.340809 -0.36892664 1 253 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 94.92 -1.3957366 -16.032856 -0.61670256 1 254 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 98.44 -4.2606697 -17.217226 -2.9090228 1 255 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 98.05 -5.251765 -16.391674 -3.6043458 1 256 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 98.05 -6.6326447 -16.54162 -2.980383 1 257 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 98.05 -7.353936 -15.547813 -2.8241928 1 258 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 98.05 -5.321987 -16.755995 -5.0905895 1 259 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 97.66 -4.118906 -16.33364 -5.8925877 1 260 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 97.27 -4.434944 -16.234554 -7.379333 1 261 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 97.27 -5.1514273 -17.372105 -7.9364033 1 262 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 98.05 -4.5693336 -18.513922 -8.325819 1 263 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 96.88 -3.2571483 -18.679703 -8.199125 1 264 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 96.88 -5.313087 -19.4809 -8.842524 1 265 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 98.05 -7.0093336 -17.785694 -2.6518965 1 266 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 98.44 -8.323059 -17.99886 -2.0392172 1 267 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 98.05 -8.411721 -17.307499 -0.6844293 1 268 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 98.05 -9.407982 -16.638416 -0.37723687 1 269 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 98.05 -8.614956 -19.491882 -1.9013885 1 270 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 97.27 -8.749979 -20.212986 -3.2368526 1 271 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 96.09 -9.846213 -19.572035 -4.1004534 1 272 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 95.7 -9.889181 -20.223866 -5.4604254 1 273 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 94.53 -10.905214 -19.598692 -6.3267794 1 274 +ATOM N N . MET A0 1 36 . 36 MET A0 N 98.05 -7.3669605 -17.446486 0.13913703 1 275 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 97.66 -7.351325 -16.783714 1.4358907 1 276 +ATOM C C . MET A0 1 36 . 36 MET A0 C 98.05 -7.3684826 -15.259079 1.2793124 1 277 +ATOM O O . MET A0 1 36 . 36 MET A0 O 97.66 -8.126844 -14.569444 1.9656967 1 278 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 97.27 -6.1053104 -17.206852 2.2299252 1 279 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 95.7 -6.0047574 -16.545525 3.6142914 1 280 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 94.92 -4.5171194 -17.027805 4.509673 1 281 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 92.97 -3.3585196 -15.942613 3.7420497 1 282 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 97.66 -6.53751 -14.758141 0.37285304 1 283 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 98.05 -6.4709663 -13.324863 0.15933672 1 284 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 98.05 -7.7647715 -12.762278 -0.39359242 1 285 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 97.66 -8.197007 -11.676754 -0.004499579 1 286 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 98.05 -8.402779 -13.489911 -1.302244 1 287 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 98.05 -9.640725 -13.022075 -1.901447 1 288 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 98.05 -10.798696 -12.949871 -0.9299615 1 289 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 97.27 -11.676103 -12.087122 -1.0581381 1 290 +ATOM N N . MET A0 1 39 . 39 MET A0 N 98.05 -10.817304 -13.850561 0.037571296 1 291 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 98.05 -11.898844 -13.876816 1.0266173 1 292 +ATOM C C . MET A0 1 39 . 39 MET A0 C 97.66 -11.749834 -12.787187 2.0792346 1 293 +ATOM O O . MET A0 1 39 . 39 MET A0 O 97.66 -12.74988 -12.376314 2.6740644 1 294 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 97.27 -11.946724 -15.232235 1.7335329 1 295 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 96.48 -12.38936 -16.382298 0.87134653 1 296 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 96.88 -12.392525 -17.918139 1.8023891 1 297 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 95.7 -13.687271 -17.565395 2.98946 1 298 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 97.66 -10.541864 -12.354367 2.3163 1 299 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 98.05 -10.293825 -11.424204 3.4078078 1 300 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 97.66 -10.9259815 -10.059679 3.141146 1 301 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 97.27 -10.964283 -9.581697 2.0047178 1 302 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 97.27 -8.79438 -11.271284 3.6394095 1 303 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 98.05 -11.429849 -9.450506 4.1879764 1 304 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 98.05 -11.921707 -8.080331 4.1591287 1 305 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 97.66 -11.063628 -7.265806 5.1214886 1 306 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 96.88 -11.445271 -7.0209513 6.2684693 1 307 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 97.66 -13.393192 -8.021303 4.5761843 1 308 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 97.27 -14.33964 -8.685785 3.6009166 1 309 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 96.09 -14.435212 -7.907382 2.309441 1 310 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 96.48 -15.697077 -8.217833 1.5372545 1 311 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 94.92 -15.682392 -9.618432 1.0331504 1 312 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 98.05 -9.883579 -6.8394814 4.667119 1 313 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 98.05 -8.939293 -6.226506 5.5948515 1 314 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 97.66 -9.406434 -4.8836846 6.135395 1 315 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 97.27 -10.193386 -4.173631 5.5104165 1 316 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 97.27 -7.6698456 -6.043043 4.7466364 1 317 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 96.88 -7.8422523 -6.9284434 3.5632532 1 318 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 98.05 -9.318941 -6.985444 3.3191152 1 319 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 97.66 -8.886358 -4.5611215 7.2915115 1 320 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 97.66 -8.968296 -3.239804 7.878409 1 321 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 97.66 -7.6321974 -2.5542765 7.647652 1 322 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 97.27 -6.5787053 -3.1672273 7.8388104 1 323 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 97.66 -9.266443 -3.3582387 9.368061 1 324 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 97.27 -9.316355 -2.0246332 10.073992 1 325 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 96.48 -8.338853 -1.6109807 10.691099 1 326 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 96.09 -10.466697 -1.3864195 10.004074 1 327 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 98.44 -7.6646805 -1.3016503 7.201144 1 328 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 98.05 -6.44592 -0.5639087 6.914344 1 329 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 98.05 -6.3851814 0.6722492 7.801423 1 330 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 98.05 -7.306302 1.4915346 7.785372 1 331 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 97.27 -6.408036 -0.16341928 5.438797 1 332 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 95.7 -4.977686 0.80108035 4.97272 1 333 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 98.44 -5.313072 0.7963045 8.569841 1 334 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 98.44 -5.1135406 1.9499502 9.442003 1 335 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 98.44 -3.9228177 2.7456627 8.933686 1 336 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 98.44 -2.8262396 2.1965737 8.789724 1 337 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 97.66 -4.8769155 1.5278325 10.902157 1 338 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 96.09 -6.0312605 0.6454416 11.399855 1 339 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 96.09 -4.738923 2.749425 11.799434 1 340 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 90.23 -5.6674595 -0.82285255 11.443956 1 341 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 98.44 -4.1534386 4.033345 8.66338 1 342 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 98.44 -3.0891824 4.897363 8.172483 1 343 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 98.05 -2.86903 6.0237756 9.173893 1 344 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 98.44 -3.832564 6.674966 9.592431 1 345 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 98.44 -3.4199824 5.4723525 6.7780643 1 346 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 98.05 -3.617495 4.3320417 5.7746096 1 347 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 98.44 -2.3186512 6.4251137 6.3137865 1 348 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 96.88 -4.0044765 4.790073 4.378973 1 349 +ATOM N N . SER A0 1 47 . 47 SER A0 N 98.44 -1.6222631 6.2448387 9.541781 1 350 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 98.05 -1.2813108 7.2972755 10.488054 1 351 +ATOM C C . SER A0 1 47 . 47 SER A0 C 98.44 0.005434065 7.9855146 10.066716 1 352 +ATOM O O . SER A0 1 47 . 47 SER A0 O 98.44 0.7739343 7.464055 9.256681 1 353 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 98.05 -1.1564302 6.7345295 11.9154 1 354 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 96.09 -0.17536521 5.721656 11.985693 1 355 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 98.05 0.21399006 9.162291 10.611151 1 356 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 98.05 1.4093311 9.945419 10.324318 1 357 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 97.66 1.9918519 10.480928 11.628435 1 358 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 97.27 1.2476571 10.959234 12.495476 1 359 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 97.66 1.1047091 11.124338 9.369999 1 360 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 96.48 2.3559465 11.952169 9.130604 1 361 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 96.48 0.542027 10.614956 8.059134 1 362 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 98.05 3.291195 10.392277 11.763817 1 363 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 97.66 4.019697 10.969095 12.890837 1 364 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 97.66 5.2508593 11.644667 12.315465 1 365 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 96.48 6.2010636 10.976957 11.92475 1 366 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 97.27 4.395076 9.87169 13.889494 1 367 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 95.7 4.9643917 10.422047 15.175274 1 368 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 91.8 5.90184 11.214376 15.1586685 1 369 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 91.8 4.4167566 9.953143 16.301487 1 370 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 97.66 5.225339 12.984106 12.255547 1 371 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 97.66 6.3150115 13.694822 11.60746 1 372 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 98.05 6.398886 13.322588 10.144089 1 373 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 97.27 5.4152946 13.438375 9.407665 1 374 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 97.66 7.562146 12.847401 9.732779 1 375 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 97.66 7.776212 12.432839 8.349176 1 376 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 98.05 7.3921804 10.982528 8.098585 1 377 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 98.05 7.3868575 10.547179 6.942526 1 378 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 97.27 9.24736 12.619711 7.9651103 1 379 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 94.92 9.679573 14.063837 7.9385138 1 380 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 94.14 8.888763 14.912593 7.4810495 1 381 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 93.75 10.821268 14.345438 8.356457 1 382 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 98.05 7.076394 10.227709 9.154566 1 383 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 98.44 6.8736696 8.79125 9.037159 1 384 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 98.05 5.396441 8.473941 8.861248 1 385 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 98.44 4.5757494 8.784094 9.72713 1 386 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 98.05 7.427874 8.042612 10.262858 1 387 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 97.27 7.1993027 6.545746 10.119566 1 388 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 96.88 8.913355 8.342667 10.435538 1 389 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 98.44 5.0844564 7.8563533 7.7364006 1 390 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 98.44 3.7378225 7.3837523 7.4551044 1 391 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 98.44 3.6923027 5.891059 7.7574215 1 392 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 98.44 4.5975037 5.147403 7.3730555 1 393 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 98.44 3.3600585 7.6386642 5.9849916 1 394 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 98.05 3.4956326 9.122204 5.6463585 1 395 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 98.83 1.9434938 7.1386538 5.7049794 1 396 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 95.7 3.4658165 9.417545 4.1534157 1 397 +ATOM N N . THR A0 1 54 . 54 THR A0 N 98.44 2.6329107 5.453222 8.438082 1 398 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 98.44 2.4545603 4.041261 8.740349 1 399 +ATOM C C . THR A0 1 54 . 54 THR A0 C 98.44 1.1496274 3.5534773 8.124551 1 400 +ATOM O O . THR A0 1 54 . 54 THR A0 O 98.05 0.11029337 4.203624 8.267778 1 401 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 98.44 2.4404511 3.7949681 10.260946 1 402 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 97.66 3.6971602 4.200772 10.813329 1 403 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 98.05 2.2137086 2.314059 10.567761 1 404 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 98.44 1.2253026 2.4274507 7.420042 1 405 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 98.44 0.033936463 1.7668825 6.9055467 1 406 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 98.05 0.0045415983 0.3609854 7.48456 1 407 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 98.05 0.9121388 -0.43955356 7.2389565 1 408 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 98.44 0.014462871 1.702141 5.3682585 1 409 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 97.66 0.14701927 3.1029606 4.7620807 1 410 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 98.05 -1.2865062 1.0379838 4.8897085 1 411 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 96.09 0.18838608 3.1269922 3.2447464 1 412 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 98.05 -1.0296164 0.096636206 8.271538 1 413 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 98.44 -1.1940242 -1.2080419 8.881706 1 414 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 98.05 -2.42983 -1.8676221 8.288404 1 415 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 98.05 -3.4876375 -1.2332878 8.186901 1 416 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 98.05 -1.3394215 -1.0781496 10.401976 1 417 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 96.48 -1.5085093 -2.4113302 11.11944 1 418 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 96.48 -1.3302138 -2.2695022 12.631511 1 419 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 94.53 -2.4619696 -1.4812783 13.264027 1 420 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 92.58 -2.3305159 -1.4463962 14.74625 1 421 +ATOM N N . THR A0 1 57 . 57 THR A0 N 98.05 -2.2842157 -3.1156394 7.8955245 1 422 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 98.05 -3.409091 -3.8818998 7.3788795 1 423 +ATOM C C . THR A0 1 57 . 57 THR A0 C 97.66 -3.6706696 -5.05465 8.312492 1 424 +ATOM O O . THR A0 1 57 . 57 THR A0 O 96.88 -2.7589612 -5.814103 8.63899 1 425 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 97.66 -3.1299486 -4.3901176 5.9551897 1 426 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 96.09 -2.9181018 -3.2882073 5.0845 1 427 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 95.7 -4.3016624 -5.222579 5.4476943 1 428 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 98.05 -4.911541 -5.1684628 8.751227 1 429 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 97.66 -5.3132234 -6.2367435 9.648561 1 430 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 97.66 -6.396881 -7.086196 8.9960375 1 431 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 96.88 -7.3791914 -6.5539064 8.482832 1 432 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 97.27 -5.825277 -5.672028 10.970833 1 433 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 96.48 -4.7784214 -4.8775973 11.731672 1 434 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 97.27 -5.2889557 -4.363167 13.0638485 1 435 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 95.7 -4.4499984 -4.0524826 13.940462 1 436 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 95.7 -6.5246344 -4.2680683 13.238536 1 437 +ATOM N N . SER A0 1 59 . 59 SER A0 N 97.27 -6.205879 -8.37442 8.997373 1 438 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 96.88 -7.205382 -9.307559 8.494766 1 439 +ATOM C C . SER A0 1 59 . 59 SER A0 C 96.88 -7.1900363 -10.550089 9.366776 1 440 +ATOM O O . SER A0 1 59 . 59 SER A0 O 96.09 -6.3123884 -10.721962 10.212658 1 441 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 96.48 -6.9466033 -9.666819 7.0310316 1 442 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 94.53 -5.839918 -10.5445175 6.911622 1 443 +ATOM N N . THR A0 1 60 . 60 THR A0 N 97.66 -8.138272 -11.413109 9.136128 1 444 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 96.88 -8.25433 -12.604829 9.963171 1 445 +ATOM C C . THR A0 1 60 . 60 THR A0 C 96.48 -7.031266 -13.513232 9.844871 1 446 +ATOM O O . THR A0 1 60 . 60 THR A0 O 95.31 -6.647542 -14.162069 10.823184 1 447 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 96.48 -9.5248165 -13.39157 9.605946 1 448 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 95.7 -9.606865 -13.54522 8.189007 1 449 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 95.31 -10.76036 -12.649052 10.085346 1 450 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 96.48 -6.404437 -13.555912 8.690805 1 451 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 96.88 -5.3008904 -14.489485 8.506939 1 452 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 97.27 -3.9332325 -13.840708 8.318031 1 453 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 96.09 -2.9204178 -14.549659 8.346903 1 454 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 96.09 -5.597389 -15.42066 7.328081 1 455 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 95.31 -6.669793 -16.478764 7.6305714 1 456 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 94.53 -6.992616 -17.290668 6.386935 1 457 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 94.14 -6.224882 -17.40581 8.758894 1 458 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 97.27 -3.9098144 -12.507685 8.149704 1 459 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 97.27 -2.6183562 -11.874731 7.9512644 1 460 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 96.88 -2.6371028 -10.414216 8.352201 1 461 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 96.09 -3.5085592 -9.659351 7.921296 1 462 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 96.48 -2.1790988 -11.99901 6.4959884 1 463 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 94.92 -0.6897932 -11.9953165 6.289876 1 464 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 94.14 -0.0839217 -13.187166 6.9831595 1 465 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 92.97 1.3170516 -13.473101 6.511837 1 466 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 91.8 1.849275 -14.662857 7.2232537 1 467 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 97.27 -1.6825012 -10.03877 9.177289 1 468 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 97.27 -1.461192 -8.641802 9.532528 1 469 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 96.88 -0.12855041 -8.20215 8.954362 1 470 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 96.48 0.8709071 -8.913853 9.077061 1 471 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 96.88 -1.4411736 -8.443869 11.045628 1 472 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 96.88 -2.757925 -8.782669 11.703083 1 473 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 94.92 -3.8092794 -8.764227 11.078451 1 474 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 94.92 -2.7008398 -9.0770645 12.991209 1 475 +ATOM N N . THR A0 1 64 . 64 THR A0 N 97.66 -0.1222279 -7.0524087 8.319773 1 476 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 97.66 1.1199833 -6.4718432 7.829888 1 477 +ATOM C C . THR A0 1 64 . 64 THR A0 C 97.66 1.1907973 -5.011777 8.247852 1 478 +ATOM O O . THR A0 1 64 . 64 THR A0 O 97.66 0.1665815 -4.380979 8.524519 1 479 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 97.27 1.252126 -6.5704837 6.2953243 1 480 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 94.92 0.1752207 -5.8793535 5.6796994 1 481 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 95.31 1.2661333 -8.018875 5.852702 1 482 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 98.44 2.4092283 -4.4960046 8.311422 1 483 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 98.05 2.5921175 -3.096474 8.661079 1 484 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 98.05 3.8493896 -2.5724177 7.999089 1 485 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 97.66 4.891543 -3.2366612 8.012624 1 486 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 97.66 2.6981874 -2.926896 10.177437 1 487 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 96.48 2.8928237 -1.4873291 10.618061 1 488 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 96.88 2.9065914 -1.3362193 12.129683 1 489 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 96.09 2.431332 -2.2593656 12.831903 1 490 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 95.7 3.3914883 -0.29455763 12.622772 1 491 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 98.44 3.7359378 -1.3862958 7.408828 1 492 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 98.44 4.9045057 -0.7042494 6.8872633 1 493 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 98.44 4.95476 0.71156156 7.4331436 1 494 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 98.44 3.9201527 1.3525975 7.6312685 1 495 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 97.66 4.9502273 -0.6738088 5.3403077 1 496 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 96.48 3.7005105 -0.0050070593 4.7653036 1 497 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 96.88 5.168824 -2.0667934 4.7896724 1 498 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 95.7 3.7696698 0.24797687 3.2556574 1 499 +ATOM N N . SER A0 1 67 . 67 SER A0 N 98.44 6.1530623 1.181287 7.7282476 1 500 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 98.44 6.3915715 2.5725713 8.080348 1 501 +ATOM C C . SER A0 1 67 . 67 SER A0 C 98.44 7.4772797 3.094542 7.156284 1 502 +ATOM O O . SER A0 1 67 . 67 SER A0 O 98.44 8.474876 2.4089608 6.907716 1 503 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 98.44 6.818513 2.720172 9.541715 1 504 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 96.09 5.7458887 2.4495747 10.417253 1 505 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 98.83 7.303258 4.294363 6.663147 1 506 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 98.44 8.211758 4.7900815 5.6314483 1 507 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 98.83 8.195383 6.3073535 5.584902 1 508 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 98.44 7.3067684 6.9601383 6.1363015 1 509 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 98.44 7.810026 4.2245092 4.2573094 1 510 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 98.44 6.3877287 4.5408516 3.888206 1 511 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 98.83 5.3561544 3.7033968 4.287195 1 512 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 98.83 6.076699 5.6712866 3.165045 1 513 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 98.83 4.0349236 4.003615 3.976107 1 514 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 98.83 4.762623 5.9730945 2.850977 1 515 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 98.83 3.7471187 5.1344314 3.255687 1 516 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 98.44 9.188934 6.839505 4.929305 1 517 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 98.05 9.28721 8.254122 4.6080694 1 518 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 98.05 9.165098 8.386383 3.0960848 1 519 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 98.44 9.7435665 7.5996447 2.349884 1 520 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 98.44 10.618496 8.842285 5.1125655 1 521 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 97.66 10.672203 8.788364 6.643572 1 522 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 98.05 10.816355 10.267086 4.6076307 1 523 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 92.19 12.046317 9.09952 7.2205944 1 524 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 98.44 8.393135 9.363115 2.645152 1 525 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 98.44 8.18124 9.529108 1.2094522 1 526 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 98.44 9.512686 9.638714 0.4659616 1 527 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 98.05 10.406258 10.376739 0.87039346 1 528 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 98.05 7.3346777 10.778467 0.93783873 1 529 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 97.66 5.8868227 10.716879 1.4109707 1 530 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 97.66 5.225484 12.0807295 1.2325928 1 531 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 97.66 5.117158 9.637135 0.6659873 1 532 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 98.44 9.61268 8.872728 -0.60569596 1 533 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 98.83 10.786241 8.894093 -1.4538625 1 534 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 98.44 11.948746 8.051161 -0.97698826 1 535 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 97.66 12.954574 7.954709 -1.6894574 1 536 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 98.44 11.816273 7.42423 0.2051681 1 537 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 98.83 12.908934 6.6585226 0.78453636 1 538 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 98.44 12.616388 5.163375 0.65747964 1 539 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 98.44 11.638389 4.6677485 1.2289071 1 540 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 98.44 13.111182 7.040311 2.2499042 1 541 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 94.92 13.261547 8.545579 2.477378 1 542 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 94.14 14.547897 9.097303 1.9099826 1 543 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 93.36 15.587725 8.444554 1.9487776 1 544 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 93.75 14.484202 10.30261 1.3655167 1 545 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 98.44 13.459225 4.4394584 -0.06946282 1 546 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 98.44 13.244867 3.0204382 -0.3082208 1 547 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 98.44 13.37005 2.2223182 0.98244566 1 548 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 98.05 14.218414 2.5178485 1.8304648 1 549 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 97.66 14.253011 2.5067153 -1.342609 1 550 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 96.09 13.997711 1.0846888 -1.8093367 1 551 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 97.27 14.938499 0.67896456 -2.9233932 1 552 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 96.88 14.463247 0.42034903 -4.050599 1 553 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 96.48 16.161852 0.62517416 -2.6618881 1 554 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 98.44 12.514204 1.1931008 1.1345211 1 555 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 98.83 12.542255 0.34900212 2.3246744 1 556 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 98.44 12.245188 -1.0933621 1.9511595 1 557 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 98.44 11.729541 -1.3759272 0.86715555 1 558 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 98.44 11.54615 0.8490009 3.3824782 1 559 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 98.83 10.107644 0.8735299 2.91528 1 560 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 98.83 9.628496 1.9505196 2.1875324 1 561 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 98.44 9.246451 -0.17343536 3.2080598 1 562 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 98.83 8.306257 1.9813843 1.7546372 1 563 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 98.83 7.930989 -0.14604947 2.7793148 1 564 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 98.44 7.462208 0.93305683 2.0514011 1 565 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 98.44 12.585666 -1.998776 2.8661532 1 566 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 98.44 12.310765 -3.4186654 2.6732864 1 567 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 98.44 10.903619 -3.7424784 3.1573672 1 568 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 98.05 10.488394 -3.3038898 4.2353287 1 569 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 98.44 13.317797 -4.276116 3.4435587 1 570 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 95.7 14.733292 -4.126269 2.923485 1 571 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 95.31 14.928631 -4.238908 1.6980321 1 572 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 95.7 15.637982 -3.9113126 3.7472959 1 573 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 98.83 10.188648 -4.527606 2.361404 1 574 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 98.44 8.833897 -4.9285755 2.7123322 1 575 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 98.83 8.673676 -6.417267 2.483395 1 576 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 98.44 9.1028805 -6.936041 1.4533603 1 577 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 98.05 7.8169975 -4.159425 1.8597975 1 578 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 98.05 6.366254 -4.5722675 2.1063414 1 579 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 98.83 5.38691 -3.8631067 1.1975822 1 580 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 98.44 5.8232975 -3.1061435 0.3017062 1 581 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 98.05 4.1552877 -4.0605793 1.366375 1 582 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 98.44 8.058214 -7.1180553 3.4321852 1 583 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 98.44 7.5877132 -8.482611 3.2230856 1 584 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 98.05 6.080471 -8.412449 3.0349226 1 585 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 98.05 5.363224 -7.9865294 3.9373317 1 586 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 97.66 7.9519424 -9.412903 4.396306 1 587 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 95.31 9.457884 -9.452759 4.5986357 1 588 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 95.31 7.4129677 -10.817486 4.120233 1 589 +ATOM N N . THR A0 1 78 . 78 THR A0 N 98.44 5.6285167 -8.81085 1.8529298 1 590 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 98.44 4.216428 -8.669187 1.5060756 1 591 +ATOM C C . THR A0 1 78 . 78 THR A0 C 98.44 3.3738685 -9.778269 2.1381273 1 592 +ATOM O O . THR A0 1 78 . 78 THR A0 O 98.05 3.9051273 -10.7494755 2.6799772 1 593 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 98.44 4.019879 -8.686029 -0.020490944 1 594 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 98.05 4.4053054 -9.969519 -0.515046 1 595 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 98.44 4.8639336 -7.6033626 -0.68561625 1 596 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 98.44 2.0545683 -9.637697 2.0473173 1 597 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 98.05 1.1606238 -10.6372795 2.6217275 1 598 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 97.66 1.3618792 -12.011738 1.9860754 1 599 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 96.88 1.1433004 -13.031801 2.643971 1 600 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 98.05 -0.29150867 -10.195351 2.476283 1 601 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 98.44 1.7704408 -12.043832 0.72236127 1 602 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 97.66 2.0533895 -13.295559 0.027003786 1 603 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 97.66 3.523577 -13.68594 0.10759938 1 604 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 97.27 3.9867454 -14.54129 -0.6607946 1 605 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 97.66 1.604689 -13.2282715 -1.4419928 1 606 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 97.66 2.274539 -12.123812 -2.2272172 1 607 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 97.27 2.2760725 -10.959526 -1.744172 1 608 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 96.88 2.7878034 -12.398598 -3.3416626 1 609 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 98.44 4.25959 -13.0730295 1.022228 1 610 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 98.05 5.627437 -13.441637 1.3622867 1 611 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 98.05 6.656949 -13.12148 0.2819117 1 612 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 98.05 7.713478 -13.75638 0.22188285 1 613 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 97.66 5.7123947 -14.927638 1.7521329 1 614 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 97.27 4.91362 -15.238651 3.002563 1 615 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 96.48 4.9593363 -14.431443 3.9521642 1 616 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 96.09 4.2448177 -16.293205 3.0362873 1 617 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 98.44 6.3764567 -12.143509 -0.56497145 1 618 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 98.44 7.424221 -11.608566 -1.4175081 1 619 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 98.44 8.28353 -10.655276 -0.59822714 1 620 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 98.05 7.7702155 -9.873823 0.2171854 1 621 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 98.05 6.8468056 -10.853664 -2.6195402 1 622 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 97.66 6.2184124 -11.702929 -3.6914434 1 623 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 97.66 5.486253 -10.808666 -4.7012897 1 624 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 97.27 4.281393 -10.260574 -4.0815706 1 625 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 98.44 3.9063594 -8.987236 -4.144081 1 626 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 98.05 4.6395054 -8.110392 -4.8161345 1 627 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 97.66 2.7931032 -8.598972 -3.523086 1 628 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 98.44 9.562539 -10.72838 -0.82287514 1 629 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 98.44 10.486387 -9.768031 -0.22832657 1 630 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 98.44 10.81428 -8.732456 -1.2913555 1 631 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 98.05 11.5038805 -9.033293 -2.2714648 1 632 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 98.05 11.744742 -10.477386 0.26822627 1 633 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 96.09 11.463514 -11.525063 1.3330811 1 634 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 95.7 12.734068 -12.272512 1.7318273 1 635 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 94.92 12.422941 -13.328325 2.7877202 1 636 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 93.75 13.645924 -14.0679245 3.2025023 1 637 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 98.44 10.297108 -7.5336323 -1.0992031 1 638 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 98.44 10.402428 -6.506725 -2.134822 1 639 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 98.44 11.096096 -5.258296 -1.6101016 1 640 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 98.44 11.18199 -5.0269403 -0.39954817 1 641 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 98.05 9.011263 -6.1182127 -2.69815 1 642 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 97.27 8.244673 -7.3665843 -3.1412258 1 643 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 98.05 8.206219 -5.341693 -1.6571598 1 644 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 98.44 11.605103 -4.47945 -2.5390296 1 645 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 98.44 12.056961 -3.1233437 -2.2463925 1 646 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 98.44 10.924083 -2.1832657 -2.6226301 1 647 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 98.44 10.468899 -2.1824687 -3.767385 1 648 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 98.83 13.30925 -2.775783 -3.0537894 1 649 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 96.48 14.518049 -3.627234 -2.7456388 1 650 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 96.09 15.133635 -3.2641647 -1.3966238 1 651 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 94.53 16.448193 -4.0026655 -1.1841607 1 652 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 93.36 17.044388 -3.643794 0.11584568 1 653 +ATOM N N . SER A0 1 86 . 86 SER A0 N 98.44 10.445608 -1.4004161 -1.6739643 1 654 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 98.83 9.3221035 -0.49940923 -1.9063977 1 655 +ATOM C C . SER A0 1 86 . 86 SER A0 C 98.44 9.74954 0.95455647 -1.7878976 1 656 +ATOM O O . SER A0 1 86 . 86 SER A0 O 98.44 10.569403 1.3081388 -0.9376396 1 657 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 98.05 8.195541 -0.76801956 -0.9005816 1 658 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 93.75 7.503106 -1.9718082 -1.20169 1 659 +ATOM N N . THR A0 1 87 . 87 THR A0 N 98.44 9.199354 1.7745253 -2.6473851 1 660 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 98.44 9.336689 3.222472 -2.5414503 1 661 +ATOM C C . THR A0 1 87 . 87 THR A0 C 98.44 7.9596643 3.84168 -2.7125082 1 662 +ATOM O O . THR A0 1 87 . 87 THR A0 O 98.05 7.2338953 3.475319 -3.6386342 1 663 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 98.05 10.293745 3.7961783 -3.602003 1 664 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 96.09 11.529349 3.0795202 -3.580868 1 665 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 97.27 10.57119 5.272953 -3.3187504 1 666 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 98.44 7.6065025 4.747335 -1.8176283 1 667 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 98.44 6.302704 5.403102 -1.8780203 1 668 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 98.44 6.52057 6.905423 -1.9748635 1 669 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 98.44 7.2911367 7.481111 -1.2064446 1 670 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 98.44 5.433038 5.0490856 -0.65424156 1 671 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 98.44 5.277817 3.5324533 -0.54320437 1 672 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 98.44 4.071044 5.7292666 -0.76151747 1 673 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 96.48 4.459339 3.0647259 0.6511928 1 674 +ATOM N N . THR A0 1 89 . 89 THR A0 N 98.44 5.8371477 7.5139837 -2.935238 1 675 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 98.44 5.9412847 8.947449 -3.1813927 1 676 +ATOM C C . THR A0 1 89 . 89 THR A0 C 98.44 4.548582 9.555067 -3.278059 1 677 +ATOM O O . THR A0 1 89 . 89 THR A0 O 98.44 3.5467982 8.836992 -3.3439543 1 678 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 98.44 6.7089634 9.235096 -4.4920793 1 679 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 97.27 6.0722857 8.542858 -5.5609303 1 680 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 97.27 8.161896 8.774444 -4.379593 1 681 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 98.44 4.4865427 10.876581 -3.2707658 1 682 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 98.05 3.2540946 11.58919 -3.553094 1 683 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 98.05 3.3085852 12.141152 -4.9716687 1 684 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 97.66 4.2871704 12.805507 -5.342103 1 685 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 97.66 3.0505955 12.751747 -2.5825772 1 686 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 96.48 2.264804 12.505269 -1.3062713 1 687 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 96.09 2.2095647 13.794322 -0.5044118 1 688 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 96.48 0.858934 12.0129175 -1.6155126 1 689 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 98.05 2.2747898 11.846519 -5.760042 1 690 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 97.66 2.1588576 12.341804 -7.1289997 1 691 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 97.66 0.77545524 12.973907 -7.269417 1 692 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 96.48 -0.2196789 12.276926 -7.4472017 1 693 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 97.27 2.3402352 11.197322 -8.12636 1 694 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 96.48 2.1152167 11.639773 -9.561143 1 695 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 95.31 2.2600603 12.85423 -9.837675 1 696 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 94.92 1.8098104 10.777003 -10.413096 1 697 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 97.66 0.7233958 14.300247 -7.1598434 1 698 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 97.66 -0.54577535 14.989393 -7.2826915 1 699 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 97.66 -1.5784619 14.536158 -6.2663455 1 700 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 97.27 -2.7474236 14.351799 -6.618374 1 701 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 98.05 -1.1814678 14.369165 -5.0318832 1 702 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 97.66 -2.0787344 13.957799 -3.9652476 1 703 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 98.44 -2.330749 12.465081 -3.883318 1 704 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 98.05 -3.072676 12.020969 -3.0013788 1 705 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 98.44 -1.734588 11.6911745 -4.77312 1 706 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 98.44 -1.8969042 10.24196 -4.7892604 1 707 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 98.44 -0.63447404 9.587902 -4.2296963 1 708 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 98.83 0.47649848 9.902109 -4.66766 1 709 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 98.44 -2.1603537 9.725313 -6.223833 1 710 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 98.05 -2.2841878 8.207325 -6.2348003 1 711 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 97.66 -3.4161065 10.377494 -6.802436 1 712 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 98.44 -0.81755996 8.684828 -3.2682505 1 713 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 98.44 0.3034842 7.902898 -2.7632408 1 714 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 98.44 0.6190175 6.8000193 -3.7701278 1 715 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 98.44 -0.2315411 5.9599304 -4.0672393 1 716 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 98.05 -0.03860925 7.280877 -1.408412 1 717 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 97.27 0.026947197 8.189484 -0.19197948 1 718 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 97.27 -0.5730524 7.486556 1.024086 1 719 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 97.66 1.4760853 8.579728 0.10193871 1 720 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 98.44 1.8264289 6.819976 -4.2885265 1 721 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 98.44 2.2359762 5.8745894 -5.324476 1 722 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 98.05 3.3413057 4.9767275 -4.7772875 1 723 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 98.44 4.43242 5.45936 -4.4435925 1 724 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 98.44 2.72886 6.6031933 -6.589465 1 725 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 97.66 3.1471937 5.5878153 -7.646556 1 726 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 97.66 1.6416407 7.532265 -7.119872 1 727 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 98.44 3.047423 3.6837056 -4.6939464 1 728 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 98.44 3.9909596 2.701621 -4.191229 1 729 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 98.44 4.477444 1.8201629 -5.3285255 1 730 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 97.66 3.6718433 1.2501022 -6.058675 1 731 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 97.66 3.3412628 1.8383592 -3.1112003 1 732 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 98.05 4.2262826 0.712879 -2.6052694 1 733 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 98.83 3.5169463 -0.16535823 -1.598287 1 734 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 97.66 2.2975876 -0.10283175 -1.4438971 1 735 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 97.66 4.2779975 -1.0073818 -0.9019614 1 736 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 98.83 5.7728677 1.7282171 -5.4757824 1 737 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 98.44 6.370422 0.8029783 -6.4321976 1 738 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 98.44 7.1196337 -0.27301967 -5.65835 1 739 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 98.44 7.950709 0.041782238 -4.795533 1 740 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 98.05 7.3266835 1.5269508 -7.4063563 1 741 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 95.31 7.9171104 0.52340764 -8.396658 1 742 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 94.14 6.586093 2.6350539 -8.141064 1 743 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 98.44 6.791789 -1.5302265 -5.9396963 1 744 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 98.44 7.484278 -2.6695101 -5.3634024 1 745 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 98.44 8.35096 -3.3175154 -6.430379 1 746 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 98.05 7.889558 -3.548045 -7.5477166 1 747 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 98.05 6.4964647 -3.713171 -4.8353033 1 748 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 98.44 5.624481 -3.2312422 -3.6911545 1 749 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 98.83 4.598509 -4.2706213 -3.2925324 1 750 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 98.44 4.2523327 -5.160804 -4.0719414 1 751 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 98.44 4.0726423 -4.1639466 -2.067772 1 752 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 98.83 9.586422 -3.6197405 -6.084123 1 753 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 98.44 10.506849 -4.2706003 -7.017172 1 754 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 98.44 11.066591 -5.539113 -6.3833833 1 755 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 98.44 11.475235 -5.5167775 -5.2162323 1 756 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 98.44 11.657595 -3.3283176 -7.4014077 1 757 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 97.27 11.222662 -2.0723653 -8.134066 1 758 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 96.09 12.426783 -1.2150757 -8.498352 1 759 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 95.7 12.004457 0.043088123 -9.23592 1 760 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 93.75 13.16798 0.9080317 -9.553322 1 761 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 98.44 11.08025 -6.609502 -7.1566696 1 762 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 98.44 11.664223 -7.8760304 -6.7031 1 763 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 98.44 11.955648 -8.755215 -7.91566 1 764 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 98.05 11.178846 -8.80304 -8.872561 1 765 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 98.44 10.715044 -8.591224 -5.721349 1 766 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 98.44 9.539915 -9.272917 -6.3748245 1 767 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 98.83 9.408318 -10.627515 -6.5783424 1 768 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 98.83 8.378912 -8.679441 -6.939694 1 769 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 98.44 8.2184925 -10.890474 -7.2182326 1 770 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 98.83 7.570736 -9.700766 -7.4494963 1 771 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 98.83 7.9425397 -7.3439507 -7.0449424 1 772 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 98.83 6.339874 -9.457724 -8.075802 1 773 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 98.44 6.715823 -7.1059465 -7.656948 1 774 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 98.44 5.941637 -8.147369 -8.160589 1 775 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 98.83 13.045704 -9.469345 -7.8846197 1 776 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 98.44 13.416127 -10.452919 -8.907959 1 777 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 98.05 13.2224655 -9.9221735 -10.330881 1 778 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 97.27 12.757542 -10.639054 -11.219028 1 779 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 98.05 12.603312 -11.742445 -8.735154 1 780 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 96.48 12.933667 -12.472589 -7.4492884 1 781 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 95.7 14.084648 -12.34001 -6.9669533 1 782 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 96.09 12.060562 -13.18784 -6.9254704 1 783 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 98.44 13.584241 -8.691203 -10.579962 1 784 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 98.05 13.455813 -8.089963 -11.893415 1 785 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 98.44 12.037121 -7.731666 -12.282742 1 786 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 98.05 11.8074665 -7.3364005 -13.430447 1 787 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 98.44 11.092301 -7.8820896 -11.352657 1 788 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 98.44 9.689098 -7.5530386 -11.605214 1 789 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 98.05 9.3110485 -6.2842875 -10.857931 1 790 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 98.05 10.035202 -5.821766 -9.969805 1 791 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 98.05 8.7775 -8.70788 -11.16263 1 792 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 98.05 9.119974 -10.0530205 -11.772982 1 793 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 98.05 8.329355 -11.158594 -11.090115 1 794 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 97.66 8.842144 -12.537533 -11.479578 1 795 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 96.88 8.163427 -13.596686 -10.689873 1 796 +ATOM N N . SER A0 1 105 . 105 SER A0 N 98.44 8.147333 -5.74724 -11.223396 1 797 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 98.44 7.686289 -4.5233073 -10.590635 1 798 +ATOM C C . SER A0 1 105 . 105 SER A0 C 98.44 6.1659174 -4.4768734 -10.584524 1 799 +ATOM O O . SER A0 1 105 . 105 SER A0 O 98.05 5.521652 -4.955767 -11.525333 1 800 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 97.66 8.257301 -3.3105793 -11.325762 1 801 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 95.31 7.7387543 -2.0979414 -10.820796 1 802 +ATOM N N . THR A0 1 106 . 106 THR A0 N 98.44 5.5922046 -3.9253569 -9.537241 1 803 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 98.44 4.156182 -3.6757784 -9.482044 1 804 +ATOM C C . THR A0 1 106 . 106 THR A0 C 98.83 3.9379952 -2.323912 -8.820124 1 805 +ATOM O O . THR A0 1 106 . 106 THR A0 O 98.44 4.7401376 -1.8965442 -7.9671054 1 806 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 98.44 3.3948643 -4.7932634 -8.721448 1 807 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 97.66 1.9845724 -4.5835276 -8.828985 1 808 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 98.44 3.7808566 -4.8254585 -7.2414155 1 809 +ATOM N N . THR A0 1 107 . 107 THR A0 N 98.44 2.86266 -1.6379045 -9.204285 1 810 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 98.44 2.5724232 -0.31653962 -8.66688 1 811 +ATOM C C . THR A0 1 107 . 107 THR A0 C 98.44 1.2049124 -0.31349877 -7.988285 1 812 +ATOM O O . THR A0 1 107 . 107 THR A0 O 98.44 0.23253421 -0.83916336 -8.534941 1 813 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 98.05 2.6054358 0.75787616 -9.775798 1 814 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 96.48 3.9237013 0.83107543 -10.3072815 1 815 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 97.27 2.22201 2.129572 -9.2103195 1 816 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 98.44 1.1588233 0.27529863 -6.7965927 1 817 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 98.44 -0.07740589 0.40984866 -6.0329227 1 818 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 98.05 -0.30765533 1.8938406 -5.7601676 1 819 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 98.44 0.54853904 2.5531645 -5.152972 1 820 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 98.44 0.0042234953 -0.37012318 -4.7057743 1 821 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 97.66 0.26159793 -1.854621 -4.9706287 1 822 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 98.83 -1.2662537 -0.16791558 -3.8899145 1 823 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 96.88 0.82644564 -2.591762 -3.7579985 1 824 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 98.44 -1.4405423 2.4006574 -6.231866 1 825 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 98.05 -1.787473 3.8002577 -5.9971304 1 826 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 98.05 -2.9416752 3.8892708 -5.009814 1 827 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 98.44 -3.919755 3.1385498 -5.12428 1 828 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 98.05 -2.1778085 4.4928074 -7.3124366 1 829 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 97.66 -1.0320777 4.637494 -8.291716 1 830 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 97.66 -1.5072321 5.34431 -9.559805 1 831 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 96.88 -0.34529755 5.597181 -10.514488 1 832 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 95.31 -0.796702 6.2963367 -11.731877 1 833 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 98.44 -2.8244936 4.799821 -4.053817 1 834 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 98.44 -3.8693945 5.018957 -3.064107 1 835 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 98.44 -4.3050203 6.4668884 -3.1483376 1 836 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 98.05 -3.4678624 7.3818097 -3.0642939 1 837 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 98.44 -3.3558724 4.6852555 -1.658762 1 838 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 97.66 -2.9502783 3.2204175 -1.4916942 1 839 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 97.27 -2.3757005 2.9369938 -0.103147864 1 840 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 96.48 -2.100552 1.5126112 0.11400739 1 841 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 96.88 -0.92688274 0.92962766 -0.15521252 1 842 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 96.48 0.086217225 1.6416376 -0.6550015 1 843 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 96.09 -0.7740314 -0.368923 0.058747735 1 844 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 98.44 -5.597687 6.7010202 -3.3225007 1 845 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 98.44 -6.114679 8.056078 -3.4600039 1 846 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 98.83 -7.429817 8.206791 -2.7223268 1 847 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 98.44 -8.153655 7.2336893 -2.4953296 1 848 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 98.05 -6.3147545 8.411366 -4.940919 1 849 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 94.53 -7.424515 7.6161475 -5.6236277 1 850 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 93.36 -7.6594267 8.124002 -7.0423307 1 851 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 91.8 -8.76597 7.311964 -7.7207084 1 852 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 90.62 -9.08738 7.8466372 -9.059653 1 853 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 98.05 -7.7188716 9.44047 -2.3555331 1 854 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 98.05 -9.026356 9.75359 -1.802849 1 855 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 97.66 -9.967146 10.127467 -2.9325795 1 856 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 97.27 -9.597326 10.923472 -3.8180928 1 857 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 97.66 -8.925623 10.896406 -0.78623474 1 858 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 96.48 -8.385948 10.497396 0.58296067 1 859 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 95.7 -9.379058 9.61434 1.3348086 1 860 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 95.7 -10.745273 10.10478 1.2678931 1 861 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 95.7 -11.248138 11.05517 2.0519457 1 862 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 94.92 -10.493113 11.599231 2.994355 1 863 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 94.92 -12.504751 11.433539 1.8813689 1 864 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 98.05 -11.157659 9.551239 -2.8953578 1 865 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 98.05 -12.202586 9.877882 -3.857273 1 866 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 98.05 -13.524702 9.895704 -3.0970318 1 867 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 97.66 -13.93492 8.875799 -2.5365 1 868 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 97.66 -12.223706 8.842682 -4.9848833 1 869 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 96.09 -13.343494 9.039365 -5.9885483 1 870 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 96.48 -13.344118 7.9935074 -7.075798 1 871 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 94.92 -12.298803 7.7814736 -7.7178974 1 872 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 94.53 -14.393945 7.3491187 -7.278883 1 873 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 97.27 -14.166723 11.058855 -3.0864093 1 874 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 97.66 -15.353643 11.244738 -2.2500985 1 875 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 97.66 -15.012906 10.865061 -0.8163832 1 876 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 97.27 -14.016737 11.357047 -0.2780641 1 877 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 97.27 -16.54358 10.442854 -2.8085341 1 878 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 96.88 -16.976513 10.928438 -4.179031 1 879 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 95.7 -16.763409 12.11425 -4.480203 1 880 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 95.7 -17.530201 10.124853 -4.956821 1 881 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 98.05 -15.79132 9.995017 -0.18285222 1 882 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 98.05 -15.494875 9.557295 1.1782794 1 883 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 98.05 -14.725025 8.244112 1.2047403 1 884 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 97.66 -14.6143055 7.616967 2.257137 1 885 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 97.66 -16.78779 9.398093 1.9836199 1 886 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 97.27 -17.458725 10.721299 2.264142 1 887 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 95.7 -16.758774 11.669666 2.687854 1 888 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 95.7 -18.685936 10.820307 2.0599298 1 889 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 98.44 -14.173302 7.8520174 0.068694375 1 890 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 98.44 -13.543519 6.543028 -0.055231344 1 891 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 98.44 -12.035675 6.655245 -0.21160659 1 892 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 98.05 -11.509652 7.7008705 -0.61212313 1 893 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 98.05 -14.121025 5.772547 -1.2557017 1 894 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 97.66 -15.6355095 5.6953773 -1.2769368 1 895 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 96.88 -16.13454 4.971467 -2.5036654 1 896 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 95.31 -17.575195 5.3435264 -2.8112862 1 897 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 92.58 -18.446411 5.295133 -1.6086136 1 898 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 98.44 -11.374786 5.564535 0.10111946 1 899 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 98.44 -9.96656 5.3987627 -0.20912091 1 900 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 98.44 -9.899616 4.332236 -1.295227 1 901 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 98.83 -10.302605 3.186413 -1.0702966 1 902 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 98.44 -9.187992 4.967594 1.0366361 1 903 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 97.27 -7.6592155 5.0127773 0.98697674 1 904 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 97.66 -7.1044 4.9729958 2.410797 1 905 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 97.66 -7.0754094 3.8847256 0.1685479 1 906 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 98.83 -9.433966 4.7191496 -2.4664235 1 907 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 98.44 -9.399414 3.828919 -3.620946 1 908 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 98.44 -7.966628 3.370102 -3.8628438 1 909 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 98.44 -7.0528727 4.2019587 -3.9615474 1 910 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 98.05 -9.96635 4.5169344 -4.87643 1 911 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 97.27 -9.93803 3.5654063 -6.0588894 1 912 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 98.05 -11.391884 5.003175 -4.6031985 1 913 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 98.83 -7.8046656 2.0556965 -3.9397361 1 914 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 98.44 -6.495249 1.4499872 -4.14256 1 915 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 98.44 -6.4737954 0.80110407 -5.521102 1 916 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 98.44 -7.2934375 -0.07827541 -5.813177 1 917 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 98.05 -6.194762 0.39013427 -3.058888 1 918 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 97.27 -4.7799892 -0.15362051 -3.2393813 1 919 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 97.27 -6.3730993 0.9778298 -1.6607149 1 920 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 98.44 -5.573393 1.2441391 -6.371834 1 921 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 98.83 -5.4231186 0.6798482 -7.708601 1 922 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 98.83 -4.08584 -0.028766155 -7.80264 1 923 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 98.44 -3.0333188 0.57331187 -7.549769 1 924 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 98.05 -5.5204754 1.770844 -8.773773 1 925 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 93.75 -5.477834 1.2110337 -10.195246 1 926 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 92.58 -5.3404217 2.2899358 -11.258269 1 927 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 92.19 -5.9325695 2.1409307 -12.34693 1 928 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 91.41 -4.63645 3.2899773 -10.998924 1 929 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 98.44 -4.1269445 -1.3145349 -8.122112 1 930 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 98.44 -2.9396243 -2.153643 -8.189617 1 931 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 98.44 -2.7090962 -2.5978901 -9.624643 1 932 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 97.66 -3.6342607 -3.0908513 -10.26811 1 933 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 98.05 -3.100106 -3.3906887 -7.311651 1 934 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 95.7 -3.8126068 -3.0672176 -5.728523 1 935 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 98.44 -1.5078945 -2.447577 -10.122865 1 936 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 98.44 -1.1981153 -2.7950218 -11.500757 1 937 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 98.05 0.01141318 -3.7257805 -11.544789 1 938 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 97.66 1.0491974 -3.4326725 -10.937578 1 939 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 98.05 -0.92419374 -1.536938 -12.354397 1 940 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 96.09 -0.56529987 -1.934985 -13.778709 1 941 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 95.7 -2.1242802 -0.61408633 -12.337706 1 942 +ATOM N N . MET A0 1 123 . 123 MET A0 N 98.05 -0.15694341 -4.8354206 -12.234801 1 943 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 97.66 0.93637407 -5.76766 -12.509463 1 944 +ATOM C C . MET A0 1 123 . 123 MET A0 C 96.48 0.87137353 -6.113078 -13.990671 1 945 +ATOM O O . MET A0 1 123 . 123 MET A0 O 92.97 -0.09497929 -6.7195454 -14.434403 1 946 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 97.27 0.7974273 -7.0209875 -11.649772 1 947 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 97.27 1.8217505 -8.106203 -11.951562 1 948 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 98.05 3.454567 -7.588114 -11.413417 1 949 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 97.27 4.4634385 -8.924211 -12.0811615 1 950 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 97.66 1.8805017 -5.6936097 -14.719173 1 951 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 97.27 1.8704505 -5.847061 -16.177063 1 952 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 96.48 0.56772196 -5.289505 -16.727493 1 953 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 94.14 0.2487714 -4.1233273 -16.471205 1 954 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 96.09 2.0962863 -7.3175516 -16.548588 1 955 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 95.7 3.4086561 -7.884313 -16.025736 1 956 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 94.53 3.489035 -9.3764305 -16.268055 1 957 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 93.75 4.7174997 -9.977223 -15.612573 1 958 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 92.97 4.730727 -11.453873 -15.771213 1 959 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 96.88 -0.23162103 -6.0671377 -17.440588 1 960 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 97.66 -1.4587437 -5.549057 -18.036137 1 961 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 97.66 -2.6914945 -5.637722 -17.174318 1 962 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 96.48 -3.7800856 -5.252652 -17.62349 1 963 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 97.66 -2.5584128 -6.1297317 -15.940598 1 964 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 98.05 -3.7124963 -6.3965664 -15.091943 1 965 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 98.05 -3.8780527 -5.2980185 -14.04839 1 966 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 97.66 -2.9271097 -4.9598613 -13.338972 1 967 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 97.27 -3.5832872 -7.7675347 -14.395409 1 968 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 96.88 -4.740622 -7.999767 -13.441265 1 969 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 96.88 -3.5080717 -8.878295 -15.433032 1 970 +ATOM N N . THR A0 1 127 . 127 THR A0 N 98.44 -5.095559 -4.758423 -13.962351 1 971 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 98.44 -5.411734 -3.7250464 -12.989132 1 972 +ATOM C C . THR A0 1 127 . 127 THR A0 C 98.44 -6.4838524 -4.226763 -12.034383 1 973 +ATOM O O . THR A0 1 127 . 127 THR A0 O 98.05 -7.520971 -4.7397947 -12.457204 1 974 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 97.66 -5.90254 -2.4363747 -13.675817 1 975 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 95.31 -4.8750153 -1.9280751 -14.523666 1 976 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 96.09 -6.263375 -1.3772078 -12.63715 1 977 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 98.44 -6.228607 -4.075829 -10.750973 1 978 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 98.44 -7.174492 -4.404775 -9.694002 1 979 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 98.44 -7.5650215 -3.1208005 -8.983499 1 980 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 98.05 -6.7146873 -2.255845 -8.7641945 1 981 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 98.05 -6.5286117 -5.378965 -8.714538 1 982 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 96.09 -7.400176 -5.5896096 -7.15743 1 983 +ATOM N N . THR A0 1 129 . 129 THR A0 N 98.44 -8.847299 -2.9904096 -8.63014 1 984 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 98.44 -9.30504 -1.834475 -7.872223 1 985 +ATOM C C . THR A0 1 129 . 129 THR A0 C 98.44 -9.960932 -2.3116784 -6.5824304 1 986 +ATOM O O . THR A0 1 129 . 129 THR A0 O 98.44 -10.857762 -3.163336 -6.6135645 1 987 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 98.05 -10.304535 -0.98822427 -8.681187 1 988 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 96.88 -9.68453 -0.54651946 -9.887027 1 989 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 97.66 -10.744051 0.22748668 -7.866955 1 990 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 98.44 -9.52953 -1.7416955 -5.472709 1 991 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 98.83 -10.081587 -2.0777984 -4.162663 1 992 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 98.44 -10.509175 -0.79501057 -3.4689798 1 993 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 98.05 -9.743387 0.19075981 -3.435869 1 994 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 98.05 -9.073275 -2.8668714 -3.327844 1 995 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 98.05 -8.9471445 -4.2992287 -3.8422656 1 996 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 97.66 -7.707221 -4.9998674 -3.421093 1 997 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 98.05 -7.611106 -5.3494353 -1.9988232 1 998 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 98.05 -8.215536 -6.384069 -1.4155108 1 999 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 97.27 -9.021274 -7.1749535 -2.1200392 1 1000 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 97.27 -8.014354 -6.623802 -0.13282324 1 1001 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 98.44 -11.730297 -0.80368114 -2.9704266 1 1002 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 98.83 -12.331562 0.4030956 -2.4125357 1 1003 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 98.44 -12.555603 0.23071527 -0.9161771 1 1004 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 98.44 -13.114576 -0.7767267 -0.47053516 1 1005 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 98.05 -13.670526 0.73641175 -3.1086102 1 1006 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 97.27 -14.288492 1.9835168 -2.50808 1 1007 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 97.27 -13.454009 0.91338295 -4.609422 1 1008 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 98.44 -12.10941 1.2307642 -0.17492294 1 1009 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 98.44 -12.261936 1.2558007 1.2718629 1 1010 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 98.44 -13.1448765 2.4246037 1.6856513 1 1011 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 97.66 -13.129167 3.4891396 1.0557058 1 1012 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 98.44 -10.8965 1.4042306 1.9534588 1 1013 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 98.44 -10.00906 0.19457546 1.867291 1 1014 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 98.44 -9.334633 -0.1281139 0.6907246 1 1015 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 98.83 -9.830231 -0.6435548 2.961356 1 1016 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 98.44 -8.518115 -1.2403799 0.6153985 1 1017 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 98.83 -9.009418 -1.7556877 2.9008627 1 1018 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 98.83 -8.3582325 -2.0451643 1.7220684 1 1019 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 98.83 -7.55178 -3.1398306 1.6439483 1 1020 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 98.44 -13.899233 2.241438 2.747761 1 1021 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 98.83 -14.663617 3.3109589 3.3837538 1 1022 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 98.44 -14.232134 3.4302669 4.8330736 1 1023 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 98.05 -13.664886 2.5112624 5.405076 1 1024 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 98.44 -16.160175 3.0320182 3.2837706 1 1025 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 97.27 -16.693935 3.1427188 1.8684756 1 1026 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 97.66 -18.166271 2.8062315 1.7483461 1 1027 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 96.48 -18.70048 2.8993058 0.6281853 1 1028 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 96.48 -18.789291 2.4503393 2.7793775 1 1029 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 98.44 -14.518712 4.5838113 5.4223847 1 1030 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 98.44 -14.120407 4.790706 6.815041 1 1031 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 97.66 -14.826699 3.7928097 7.7165318 1 1032 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 95.7 -16.026577 3.5319524 7.555382 1 1033 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 97.66 -14.422696 6.2237315 7.2470837 1 1034 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 96.88 -13.476833 7.2201486 6.5910997 1 1035 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 96.88 -13.392824 8.52527 7.364655 1 1036 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 96.88 -12.520666 9.485246 6.668973 1 1037 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 96.48 -11.207328 9.582693 6.8938046 1 1038 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 95.7 -10.499338 10.470137 6.2016325 1 1039 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 96.09 -10.608927 8.79988 7.7882786 1 1040 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 98.05 -14.071928 3.2221398 8.639465 1 1041 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 98.05 -14.611084 2.2230473 9.542621 1 1042 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 96.88 -15.378433 2.888222 10.673546 1 1043 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 96.09 -15.357651 4.0984454 10.837135 1 1044 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 97.27 -13.489138 1.3342694 10.095028 1 1045 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 95.31 -16.065649 2.186369 11.412005 1 1046 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 94.14 -12.616875 14.099669 4.154809 1 1047 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 93.75 -12.627443 15.004755 3.043414 1 1048 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 94.92 -11.241564 14.425905 5.1431227 1 1049 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 94.92 -14.092485 14.071407 4.9665747 1 1050 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 94.14 0.71350724 -2.7411003 3.4469182 1 1051 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 93.75 1.2964573 -4.0904045 3.3526707 1 1052 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 94.53 -0.7922269 -2.7550678 2.6041253 1 1053 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 94.92 0.46071908 -2.405031 5.095 1 1054 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 94.53 0.63942057 -16.137299 3.1050818 1 1055 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 94.14 -0.1604408 -17.31248 3.4441113 1 1056 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 94.92 -0.41545734 -14.833472 2.6361961 1 1057 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 94.92 1.58184 -15.696527 4.4743676 1 1058 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 98.05 -3.78152 -7.2061434 0.62901735 1 1059 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 98.44 -2.8221538 -7.393794 -0.41210184 1 1060 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 98.05 -2.5515707 -6.411727 -1.2838788 1 1061 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 97.66 -3.1662424 -5.204341 -1.2383506 1 1062 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 98.05 -4.1575913 -4.9642534 -0.24649361 1 1063 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 98.05 -4.4391384 -5.974477 0.6691084 1 1064 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 97.27 -1.2981845 -10.270537 -1.9970639 1 1065 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 97.27 -4.900565 -3.6624074 -0.16238448 1 1066 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 97.66 -4.0720034 -8.263472 1.6122372 1 1067 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 97.27 -5.0803137 -9.184435 1.3775976 1 1068 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 97.27 -5.3675976 -10.178626 2.338799 1 1069 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 97.27 -4.6654634 -10.205711 3.5571544 1 1070 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 97.27 -3.6569805 -9.238119 3.7902093 1 1071 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 97.27 -3.374989 -8.263586 2.8248136 1 1072 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 97.66 -2.1817188 -8.560083 -0.5511453 1 1073 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 97.66 -2.805313 -4.167427 -2.2957315 1 1074 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 96.88 -3.8796434 -3.6891496 -2.8627963 1 1075 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 96.88 -2.1135182 -3.194425 -1.7300539 1 1076 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 96.88 -2.0668347 -4.7227993 -3.238277 1 1077 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 97.66 -1.3958771 -8.783058 -1.7458284 1 1078 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 97.27 -2.4924622 -10.760101 -2.1782365 1 1079 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 96.88 -0.768197 -10.847414 -0.94336027 1 1080 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 96.88 -0.54836375 -10.483773 -3.0566945 1 1081 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 97.27 -4.3001733 -2.6477184 0.23290327 1 1082 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 97.27 -6.1179304 -3.6712358 -0.47754413 1 1083 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..d3cc4c09a4f6e20777ab46b035c2ddecfa7fda6f --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_2_postprocessed.cif @@ -0,0 +1,1410 @@ +data_7fwf-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 0 1.4620426 21.949236 11.357274 1 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 0 0.6020535 22.304985 10.237794 1 2 1 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 0 0.04680221 21.088661 9.536028 1 3 1 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 0 0.4504859 19.952404 9.814288 1 4 1 +ATOM N N . SER A0 1 2 . 2 SER A0 N 0 -0.8897955 21.313322 8.6309805 1 5 1 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 0 -1.50789 20.235168 7.8737297 1 6 1 +ATOM C C . SER A0 1 2 . 2 SER A0 C 0 -0.5463338 19.691366 6.8243523 1 7 1 +ATOM O O . SER A0 1 2 . 2 SER A0 O 0 0.39536488 20.378391 6.4029856 1 8 1 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 0 -2.7903864 20.719803 7.209217 1 9 1 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 0 -3.7485528 21.1321 8.168686 1 10 1 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 0 -0.789132 18.470242 6.412527 1 11 1 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 0 -0.009474525 17.826897 5.357945 1 12 1 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 0 -0.9519495 17.195398 4.3495226 1 13 1 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 0 -2.103458 16.891008 4.6629543 1 14 1 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 0 0.91376877 16.75606 5.9477224 1 15 1 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 0 1.9432244 17.284061 6.898648 1 16 1 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 0 1.6818919 17.498652 8.230453 1 17 1 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 0 3.2259474 17.626736 6.699088 1 18 1 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 0 2.7633867 17.969528 8.814373 1 19 1 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 0 3.7212386 18.047455 7.9016294 1 20 1 +ATOM N N . MET A0 1 4 . 4 MET A0 N 0 -0.45756164 16.997227 3.1482801 1 21 1 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 0 -1.2492044 16.340382 2.1048346 1 22 1 +ATOM C C . MET A0 1 4 . 4 MET A0 C 0 -1.7168782 14.956074 2.5632553 1 23 1 +ATOM O O . MET A0 1 4 . 4 MET A0 O 0 -2.8288894 14.532748 2.233585 1 24 1 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 0 -0.44109002 16.212952 0.81909764 1 25 1 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 0 -0.2070287 17.535183 0.100339085 1 26 1 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 0 -1.7157971 18.202885 -0.63507986 1 27 1 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 0 -2.0171287 17.005047 -1.9221132 1 28 1 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 0 -0.8819642 14.270308 3.3299572 1 29 1 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 0 -1.2104247 12.920555 3.7718644 1 30 1 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 0 -2.3277473 12.870815 4.809466 1 31 1 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 0 -2.8395925 11.793149 5.0981045 1 32 1 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 0 0.031951003 12.2271805 4.3304596 1 33 1 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 0 1.0998114 11.585699 3.0393767 1 34 1 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 0 -2.7331533 14.022547 5.3419256 1 35 1 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 0 -3.813283 14.042962 6.3207073 1 36 1 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 0 -5.096407 13.42515 5.7723436 1 37 1 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 0 -5.879347 12.847057 6.5290356 1 38 1 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 0 -4.0965805 15.47729 6.7804546 1 39 1 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 0 -2.9883456 16.049002 7.636103 1 40 1 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 0 -2.0413837 15.306528 7.983708 1 41 1 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 0 -3.0689683 17.247313 7.9787073 1 42 1 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 0 -5.3358135 13.553739 4.471506 1 43 1 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 0 -6.5581512 13.0364685 3.8682036 1 44 1 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 0 -6.6287374 11.511813 3.8960147 1 45 1 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 0 -7.7105436 10.943296 3.7423782 1 46 1 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 0 -6.686075 13.5268135 2.4277306 1 47 1 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 0 -5.4934006 10.84893 4.0707455 1 48 1 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 0 -5.448565 9.392686 4.121229 1 49 1 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 0 -5.573373 8.851772 5.5405345 1 50 1 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 0 -5.8779726 7.67282 5.7237625 1 51 1 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 0 -4.140971 8.879364 3.5093362 1 52 1 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 0 -4.002842 9.17151 2.0430198 1 53 1 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 0 -3.2625842 10.257143 1.6035638 1 54 1 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 0 -4.612249 8.355997 1.1093614 1 55 1 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 0 -3.1321902 10.532843 0.2468335 1 56 1 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 0 -4.4864573 8.625639 -0.24634697 1 57 1 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 0 -3.7453008 9.714588 -0.67223465 1 58 1 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 0 -5.334666 9.679177 6.537451 1 59 1 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 0 -5.2407703 9.220731 7.918165 1 60 1 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 0 -6.601459 8.746269 8.410803 1 61 1 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 0 -7.6127677 9.424794 8.223238 1 62 1 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 0 -4.680297 10.333691 8.833063 1 63 1 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 0 -4.8006086 9.946831 10.299279 1 64 1 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 0 -3.2288861 10.627996 8.457235 1 65 1 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 0 -6.6000175 7.599886 9.063068 1 66 1 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 0 -7.815999 7.068465 9.65312 1 67 1 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 0 -7.8651066 5.5619187 9.568665 1 68 1 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 0 -6.8849406 4.9021826 9.22472 1 69 1 +ATOM N N . THR A0 1 11 . 11 THR A0 N 0 -9.014855 5.0215197 9.901199 1 70 1 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 0 -9.255739 3.5861053 9.855665 1 71 1 +ATOM C C . THR A0 1 11 . 11 THR A0 C 0 -10.23015 3.2972353 8.728464 1 72 1 +ATOM O O . THR A0 1 11 . 11 THR A0 O 0 -11.298192 3.9132094 8.641441 1 73 1 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 0 -9.811072 3.074747 11.196907 1 74 1 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 0 -8.871811 3.3884184 12.227058 1 75 1 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 0 -10.02849 1.5627217 11.148421 1 76 1 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 0 -9.861792 2.3817852 7.8579426 1 77 1 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 0 -10.596497 2.0986075 6.639389 1 78 1 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 0 -10.947499 0.61749995 6.5699377 1 79 1 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 0 -10.176195 -0.23003618 7.0319114 1 80 1 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 0 -9.759893 2.482171 5.413762 1 81 1 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 0 -9.310588 3.9038606 5.389881 1 82 1 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 0 -8.151532 4.3965735 5.9263678 1 83 1 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 0 -9.98786 5.0087256 4.7999496 1 84 1 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 0 -8.067819 5.7476 5.701957 1 85 1 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 0 -9.187671 6.1535397 5.0182953 1 86 1 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 0 -11.193732 5.1504507 4.1141443 1 87 1 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 0 -9.557928 7.4150076 4.5530787 1 88 1 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 0 -11.557455 6.3993745 3.6641545 1 89 1 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 0 -10.744438 7.5159006 3.8897188 1 90 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 -12.110287 0.32552224 5.9939284 1 91 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 -12.535665 -1.0568132 5.8217916 1 92 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 -12.817175 -1.3337901 4.347483 1 93 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 -13.417668 -0.5135679 3.6572618 1 94 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 -13.780811 -1.3602501 6.671857 1 95 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 -15.001011 -0.52952033 6.304222 1 96 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 -16.188066 -0.9115368 7.1794825 1 97 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 -17.401981 -0.0648135 6.8398333 1 98 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 -18.568245 -0.4333511 7.67126 1 99 1 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 0 -12.387995 -2.507821 3.8954053 1 100 1 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 0 -12.609142 -2.891862 2.50518 1 101 1 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 0 -14.093021 -3.151277 2.251638 1 102 1 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 0 -14.734385 -3.8962717 2.9956133 1 103 1 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 0 -11.811243 -4.1438456 2.1600404 1 104 1 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 0 -11.889011 -4.58928 0.7000943 1 105 1 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 0 -11.47262 -6.047805 0.5685001 1 106 1 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 0 -11.0168495 -3.696538 -0.16971004 1 107 1 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 0 -14.642223 -2.527646 1.1974816 1 108 1 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 0 -16.03961 -2.7484725 0.8457167 1 109 1 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 0 -16.222712 -3.2753444 -0.5711821 1 110 1 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 0 -17.30257 -3.7697573 -0.89820766 1 111 1 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 0 -16.88554 -1.4668627 1.0257838 1 112 1 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 0 -16.901806 -1.04022 2.4974656 1 113 1 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 0 -16.36775 -0.34916195 0.13914111 1 114 1 +ATOM N N . SER A0 1 16 . 16 SER A0 N 0 -15.20034 -3.1907964 -1.3937908 1 115 1 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 0 -15.309892 -3.6435084 -2.77489 1 116 1 +ATOM C C . SER A0 1 16 . 16 SER A0 C 0 -13.946003 -4.0612817 -3.3099148 1 117 1 +ATOM O O . SER A0 1 16 . 16 SER A0 O 0 -12.927406 -3.4486156 -2.9600124 1 118 1 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 0 -15.907249 -2.5356953 -3.6468515 1 119 1 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 0 -15.934908 -2.9022748 -5.0091524 1 120 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 -13.946399 -5.0770774 -4.147011 1 121 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 -12.714607 -5.5502105 -4.7589827 1 122 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 -13.006705 -6.072344 -6.159133 1 123 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 -13.931793 -6.868244 -6.339138 1 124 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 -12.075554 -6.6390576 -3.9028249 1 125 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 -10.831247 -7.041611 -4.438526 1 126 1 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 0 -12.262813 -5.6092863 -7.137541 1 127 1 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 0 -12.439444 -6.031949 -8.515307 1 128 1 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 0 -11.105024 -6.489751 -9.094975 1 129 1 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 0 -10.10315 -5.7728133 -8.997782 1 130 1 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 0 -13.001097 -4.8908486 -9.374584 1 131 1 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 0 -14.397915 -4.4613 -8.968932 1 132 1 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 0 -14.880312 -3.232594 -9.716228 1 133 1 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 0 -16.021423 -2.787672 -9.461442 1 134 1 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 0 -14.128223 -2.6965647 -10.5637665 1 135 1 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 0 -11.090569 -7.68713 -9.676437 1 136 1 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 0 -9.944063 -8.275691 -10.366485 1 137 1 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 0 -8.776355 -8.6253195 -9.4409 1 138 1 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 0 -7.6478944 -8.793147 -9.900255 1 139 1 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 0 -9.45039 -7.3625245 -11.492514 1 140 1 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 0 -10.448399 -7.212944 -12.600028 1 141 1 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 0 -11.260515 -8.104378 -12.8277 1 142 1 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 0 -10.382414 -6.0849314 -13.308097 1 143 1 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 0 -9.012333 -8.748692 -8.134075 1 144 1 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 0 -7.921365 -9.037583 -7.2031384 1 145 1 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 0 -7.3169484 -10.416851 -7.4686117 1 146 1 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 0 -6.0956326 -10.584881 -7.3588843 1 147 1 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 0 -8.41926 -8.914794 -5.763315 1 148 1 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 0 -7.320789 -8.941629 -4.7319245 1 149 1 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 0 -7.4028378 -9.812418 -3.6544762 1 150 1 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 0 -6.233714 -8.093967 -4.8267326 1 151 1 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 0 -6.409702 -9.83364 -2.680758 1 152 1 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 0 -5.2372146 -8.109829 -3.8604796 1 153 1 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 0 -5.3252697 -8.980418 -2.7858357 1 154 1 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 0 -8.154447 -11.393705 -7.819308 1 155 1 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 0 -7.6335325 -12.723186 -8.117884 1 156 1 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 0 -6.710214 -12.696389 -9.334342 1 157 1 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 0 -5.6401973 -13.306084 -9.322905 1 158 1 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 0 -8.782661 -13.714027 -8.344994 1 159 1 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 0 -8.284481 -15.133932 -8.530031 1 160 1 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 0 -7.8051896 -15.719716 -7.5346484 1 161 1 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 0 -8.349375 -15.665699 -9.660719 1 162 1 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 0 -7.1091537 -11.995455 -10.386845 1 163 1 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 0 -6.269191 -11.87134 -11.578926 1 164 1 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 0 -4.9554787 -11.15664 -11.249676 1 165 1 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 0 -3.8906999 -11.538404 -11.742226 1 166 1 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 0 -7.0151005 -11.113791 -12.679643 1 167 1 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 0 -8.171508 -11.89576 -13.265209 1 168 1 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 0 -8.097767 -13.143082 -13.293824 1 169 1 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 0 -9.146175 -11.257523 -13.700476 1 170 1 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 0 -5.0396223 -10.124945 -10.436815 1 171 1 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 0 -3.833822 -9.411509 -10.007805 1 172 1 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 0 -2.896811 -10.3391695 -9.238155 1 173 1 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 0 -1.6878648 -10.383972 -9.509398 1 174 1 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 0 -4.2246056 -8.1905575 -9.157544 1 175 1 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 0 -3.0440092 -7.4621253 -8.548157 1 176 1 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 0 -2.774958 -7.565172 -7.1839805 1 177 1 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 0 -2.218048 -6.667391 -9.323733 1 178 1 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 0 -1.7031547 -6.8935537 -6.6183825 1 179 1 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 0 -1.1422873 -5.987116 -8.762149 1 180 1 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 0 -0.8954693 -6.1093287 -7.4125814 1 181 1 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 0 0.16576864 -5.4396152 -6.8532786 1 182 1 +ATOM N N . MET A0 1 24 . 24 MET A0 N 0 -3.4570649 -11.1009865 -8.286885 1 183 1 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 0 -2.6364021 -12.0334015 -7.5247736 1 184 1 +ATOM C C . MET A0 1 24 . 24 MET A0 C 0 -2.0092914 -13.092699 -8.432186 1 185 1 +ATOM O O . MET A0 1 24 . 24 MET A0 O 0 -0.8428062 -13.454188 -8.246843 1 186 1 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 0 -3.4729996 -12.699221 -6.4289427 1 187 1 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 0 -3.8306136 -11.765262 -5.2831583 1 188 1 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 0 -4.6053486 -12.657267 -3.8964806 1 189 1 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 0 -6.18454 -13.09932 -4.6314125 1 190 1 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 0 -2.770559 -13.594155 -9.413513 1 191 1 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 0 -2.2144027 -14.551936 -10.371345 1 192 1 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 0 -1.0040858 -13.968456 -11.078089 1 193 1 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 0 0.020879027 -14.632919 -11.236 1 194 1 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 0 -3.2558305 -14.946903 -11.418709 1 195 1 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 0 -4.309815 -15.9240265 -10.954891 1 196 1 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 0 -5.200509 -16.318615 -12.129427 1 197 1 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 0 -6.4044914 -17.132776 -11.689775 1 198 1 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 0 -7.279537 -17.46017 -12.840502 1 199 1 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 0 -1.1286128 -12.72747 -11.5107975 1 200 1 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 0 -0.047363132 -12.095227 -12.246607 1 201 1 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 0 1.1786847 -11.884987 -11.358007 1 202 1 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 0 2.313229 -11.886858 -11.859395 1 203 1 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 0 -0.51713824 -10.763311 -12.842394 1 204 1 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 0 0.24603733 -10.340048 -14.088623 1 205 1 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 0 0.071880326 -11.302738 -15.250513 1 206 1 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 0 -0.89784694 -12.095171 -15.259466 1 207 1 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 0 0.92585397 -11.262421 -16.156813 1 208 1 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 0 0.95920646 -11.708397 -10.062931 1 209 1 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 0 2.0640366 -11.615261 -9.11104 1 210 1 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 0 2.7431822 -12.966118 -8.874307 1 211 1 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 0 3.8405948 -13.008949 -8.30198 1 212 1 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 0 1.5720012 -11.075337 -7.7652783 1 213 1 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 0 1.2190452 -9.588398 -7.6630526 1 214 1 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 0 0.66070426 -9.296454 -6.2664557 1 215 1 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 0 2.4272976 -8.712916 -7.9358263 1 216 1 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 0 2.0952942 -14.060566 -9.291608 1 217 1 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 0 2.606076 -15.402058 -9.053421 1 218 1 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 0 2.0928817 -16.041897 -7.782806 1 219 1 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 0 2.6665401 -17.029774 -7.3150883 1 220 1 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 0 1.0086448 -15.510498 -7.2300797 1 221 1 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 0 0.45556518 -16.031895 -5.9831133 1 222 1 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 0 -0.22246976 -17.376476 -6.2402306 1 223 1 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 0 -0.99578035 -17.522354 -7.194617 1 224 1 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 0 -0.5402057 -15.029583 -5.363415 1 225 1 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 0 -1.1446462 -15.5964365 -4.0866823 1 226 1 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 0 0.14995438 -13.690231 -5.083403 1 227 1 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 0 0.066654 -18.366137 -5.390066 1 228 1 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 0 -0.49980617 -19.694275 -5.54774 1 229 1 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 0 -1.9699719 -19.769516 -5.1817613 1 230 1 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 0 -2.54217 -18.843796 -4.6068573 1 231 1 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 0 -2.5848117 -20.890934 -5.5251765 1 232 1 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 0 -4.0309076 -21.06363 -5.3748765 1 233 1 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 0 -4.5202756 -20.816702 -3.9482374 1 234 1 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 0 -5.4501476 -20.034174 -3.7217963 1 235 1 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 0 -4.4321604 -22.469736 -5.8290067 1 236 1 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 0 -5.881965 -22.780869 -5.6197424 1 237 1 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 0 -6.3083925 -23.422306 -4.46663 1 238 1 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 0 -6.816781 -22.432095 -6.5739775 1 239 1 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 0 -7.6495237 -23.708706 -4.2708125 1 240 1 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 0 -8.158764 -22.718363 -6.387054 1 241 1 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 0 -8.573289 -23.354767 -5.232953 1 242 1 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 0 -3.9132369 -21.497478 -2.9710224 1 243 1 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 0 -4.398594 -21.40011 -1.5973403 1 244 1 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 0 -4.3084927 -19.96788 -1.0670326 1 245 1 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 0 -5.2369156 -19.479675 -0.41467288 1 246 1 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 0 -3.6185265 -22.351288 -0.69372344 1 247 1 +ATOM N N . THR A0 1 33 . 33 THR A0 N 0 -3.2048354 -19.316704 -1.3694152 1 248 1 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 0 -3.0362072 -17.940357 -0.9094625 1 249 1 +ATOM C C . THR A0 1 33 . 33 THR A0 C 0 -4.0007257 -16.998163 -1.6148832 1 250 1 +ATOM O O . THR A0 1 33 . 33 THR A0 O 0 -4.534508 -16.070942 -0.99386907 1 251 1 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 0 -1.5776176 -17.47662 -1.1043755 1 252 1 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 0 -0.71028864 -18.340809 -0.36892664 1 253 1 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 0 -1.3957366 -16.032856 -0.61670256 1 254 1 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 0 -4.2606697 -17.217226 -2.9090228 1 255 1 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 0 -5.251765 -16.391674 -3.6043458 1 256 1 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 0 -6.6326447 -16.54162 -2.980383 1 257 1 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 0 -7.353936 -15.547813 -2.8241928 1 258 1 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 0 -5.321987 -16.755995 -5.0905895 1 259 1 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 0 -4.118906 -16.33364 -5.8925877 1 260 1 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 0 -4.434944 -16.234554 -7.379333 1 261 1 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 0 -5.1514273 -17.372105 -7.9364033 1 262 1 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 0 -4.5693336 -18.513922 -8.325819 1 263 1 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 0 -3.2571483 -18.679703 -8.199125 1 264 1 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 0 -5.313087 -19.4809 -8.842524 1 265 1 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 0 -7.0093336 -17.785694 -2.6518965 1 266 1 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 0 -8.323059 -17.99886 -2.0392172 1 267 1 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 0 -8.411721 -17.307499 -0.6844293 1 268 1 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 0 -9.407982 -16.638416 -0.37723687 1 269 1 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 0 -8.614956 -19.491882 -1.9013885 1 270 1 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 0 -8.749979 -20.212986 -3.2368526 1 271 1 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 0 -9.846213 -19.572035 -4.1004534 1 272 1 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 0 -9.889181 -20.223866 -5.4604254 1 273 1 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 0 -10.905214 -19.598692 -6.3267794 1 274 1 +ATOM N N . MET A0 1 36 . 36 MET A0 N 0 -7.3669605 -17.446486 0.13913703 1 275 1 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 0 -7.351325 -16.783714 1.4358907 1 276 1 +ATOM C C . MET A0 1 36 . 36 MET A0 C 0 -7.3684826 -15.259079 1.2793124 1 277 1 +ATOM O O . MET A0 1 36 . 36 MET A0 O 0 -8.126844 -14.569444 1.9656967 1 278 1 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 0 -6.1053104 -17.206852 2.2299252 1 279 1 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 0 -6.0047574 -16.545525 3.6142914 1 280 1 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 0 -4.5171194 -17.027805 4.509673 1 281 1 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 0 -3.3585196 -15.942613 3.7420497 1 282 1 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 0 -6.53751 -14.758141 0.37285304 1 283 1 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 0 -6.4709663 -13.324863 0.15933672 1 284 1 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 0 -7.7647715 -12.762278 -0.39359242 1 285 1 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 0 -8.197007 -11.676754 -0.004499579 1 286 1 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 0 -8.402779 -13.489911 -1.302244 1 287 1 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 0 -9.640725 -13.022075 -1.901447 1 288 1 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 0 -10.798696 -12.949871 -0.9299615 1 289 1 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 0 -11.676103 -12.087122 -1.0581381 1 290 1 +ATOM N N . MET A0 1 39 . 39 MET A0 N 0 -10.817304 -13.850561 0.037571296 1 291 1 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 0 -11.898844 -13.876816 1.0266173 1 292 1 +ATOM C C . MET A0 1 39 . 39 MET A0 C 0 -11.749834 -12.787187 2.0792346 1 293 1 +ATOM O O . MET A0 1 39 . 39 MET A0 O 0 -12.74988 -12.376314 2.6740644 1 294 1 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 0 -11.946724 -15.232235 1.7335329 1 295 1 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 0 -12.38936 -16.382298 0.87134653 1 296 1 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 0 -12.392525 -17.918139 1.8023891 1 297 1 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 0 -13.687271 -17.565395 2.98946 1 298 1 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 0 -10.541864 -12.354367 2.3163 1 299 1 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 0 -10.293825 -11.424204 3.4078078 1 300 1 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 0 -10.9259815 -10.059679 3.141146 1 301 1 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 0 -10.964283 -9.581697 2.0047178 1 302 1 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 0 -8.79438 -11.271284 3.6394095 1 303 1 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 0 -11.429849 -9.450506 4.1879764 1 304 1 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 0 -11.921707 -8.080331 4.1591287 1 305 1 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 0 -11.063628 -7.265806 5.1214886 1 306 1 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 0 -11.445271 -7.0209513 6.2684693 1 307 1 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 0 -13.393192 -8.021303 4.5761843 1 308 1 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 0 -14.33964 -8.685785 3.6009166 1 309 1 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 0 -14.435212 -7.907382 2.309441 1 310 1 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 0 -15.697077 -8.217833 1.5372545 1 311 1 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 0 -15.682392 -9.618432 1.0331504 1 312 1 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 0 -9.883579 -6.8394814 4.667119 1 313 1 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 0 -8.939293 -6.226506 5.5948515 1 314 1 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 0 -9.406434 -4.8836846 6.135395 1 315 1 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 0 -10.193386 -4.173631 5.5104165 1 316 1 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 0 -7.6698456 -6.043043 4.7466364 1 317 1 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 0 -7.8422523 -6.9284434 3.5632532 1 318 1 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 0 -9.318941 -6.985444 3.3191152 1 319 1 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 0 -8.886358 -4.5611215 7.2915115 1 320 1 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 0 -8.968296 -3.239804 7.878409 1 321 1 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 0 -7.6321974 -2.5542765 7.647652 1 322 1 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 0 -6.5787053 -3.1672273 7.8388104 1 323 1 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 0 -9.266443 -3.3582387 9.368061 1 324 1 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 0 -9.316355 -2.0246332 10.073992 1 325 1 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 0 -8.338853 -1.6109807 10.691099 1 326 1 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 0 -10.466697 -1.3864195 10.004074 1 327 1 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 0 -7.6646805 -1.3016503 7.201144 1 328 1 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 0 -6.44592 -0.5639087 6.914344 1 329 1 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 0 -6.3851814 0.6722492 7.801423 1 330 1 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 0 -7.306302 1.4915346 7.785372 1 331 1 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 0 -6.408036 -0.16341928 5.438797 1 332 1 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 0 -4.977686 0.80108035 4.97272 1 333 1 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 0 -5.313072 0.7963045 8.569841 1 334 1 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 0 -5.1135406 1.9499502 9.442003 1 335 1 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 0 -3.9228177 2.7456627 8.933686 1 336 1 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 0 -2.8262396 2.1965737 8.789724 1 337 1 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 0 -4.8769155 1.5278325 10.902157 1 338 1 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 0 -6.0312605 0.6454416 11.399855 1 339 1 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 0 -4.738923 2.749425 11.799434 1 340 1 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 0 -5.6674595 -0.82285255 11.443956 1 341 1 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 0 -4.1534386 4.033345 8.66338 1 342 1 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 0 -3.0891824 4.897363 8.172483 1 343 1 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 0 -2.86903 6.0237756 9.173893 1 344 1 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 0 -3.832564 6.674966 9.592431 1 345 1 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 0 -3.4199824 5.4723525 6.7780643 1 346 1 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 0 -3.617495 4.3320417 5.7746096 1 347 1 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 0 -2.3186512 6.4251137 6.3137865 1 348 1 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 0 -4.0044765 4.790073 4.378973 1 349 1 +ATOM N N . SER A0 1 47 . 47 SER A0 N 0 -1.6222631 6.2448387 9.541781 1 350 1 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 0 -1.2813108 7.2972755 10.488054 1 351 1 +ATOM C C . SER A0 1 47 . 47 SER A0 C 0 0.005434065 7.9855146 10.066716 1 352 1 +ATOM O O . SER A0 1 47 . 47 SER A0 O 0 0.7739343 7.464055 9.256681 1 353 1 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 0 -1.1564302 6.7345295 11.9154 1 354 1 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 0 -0.17536521 5.721656 11.985693 1 355 1 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 0 0.21399006 9.162291 10.611151 1 356 1 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 0 1.4093311 9.945419 10.324318 1 357 1 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 0 1.9918519 10.480928 11.628435 1 358 1 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 0 1.2476571 10.959234 12.495476 1 359 1 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 0 1.1047091 11.124338 9.369999 1 360 1 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 0 2.3559465 11.952169 9.130604 1 361 1 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 0 0.542027 10.614956 8.059134 1 362 1 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 0 3.291195 10.392277 11.763817 1 363 1 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 0 4.019697 10.969095 12.890837 1 364 1 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 0 5.2508593 11.644667 12.315465 1 365 1 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 0 6.2010636 10.976957 11.92475 1 366 1 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 0 4.395076 9.87169 13.889494 1 367 1 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 0 4.9643917 10.422047 15.175274 1 368 1 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 0 5.90184 11.214376 15.1586685 1 369 1 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 0 4.4167566 9.953143 16.301487 1 370 1 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 0 5.225339 12.984106 12.255547 1 371 1 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 0 6.3150115 13.694822 11.60746 1 372 1 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 0 6.398886 13.322588 10.144089 1 373 1 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 0 5.4152946 13.438375 9.407665 1 374 1 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 0 7.562146 12.847401 9.732779 1 375 1 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 0 7.776212 12.432839 8.349176 1 376 1 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 0 7.3921804 10.982528 8.098585 1 377 1 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 0 7.3868575 10.547179 6.942526 1 378 1 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 0 9.24736 12.619711 7.9651103 1 379 1 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 0 9.679573 14.063837 7.9385138 1 380 1 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 0 8.888763 14.912593 7.4810495 1 381 1 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 0 10.821268 14.345438 8.356457 1 382 1 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 0 7.076394 10.227709 9.154566 1 383 1 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 0 6.8736696 8.79125 9.037159 1 384 1 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 0 5.396441 8.473941 8.861248 1 385 1 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 0 4.5757494 8.784094 9.72713 1 386 1 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 0 7.427874 8.042612 10.262858 1 387 1 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 0 7.1993027 6.545746 10.119566 1 388 1 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 0 8.913355 8.342667 10.435538 1 389 1 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 0 5.0844564 7.8563533 7.7364006 1 390 1 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 0 3.7378225 7.3837523 7.4551044 1 391 1 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 0 3.6923027 5.891059 7.7574215 1 392 1 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 0 4.5975037 5.147403 7.3730555 1 393 1 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 0 3.3600585 7.6386642 5.9849916 1 394 1 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 0 3.4956326 9.122204 5.6463585 1 395 1 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 0 1.9434938 7.1386538 5.7049794 1 396 1 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 0 3.4658165 9.417545 4.1534157 1 397 1 +ATOM N N . THR A0 1 54 . 54 THR A0 N 0 2.6329107 5.453222 8.438082 1 398 1 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 0 2.4545603 4.041261 8.740349 1 399 1 +ATOM C C . THR A0 1 54 . 54 THR A0 C 0 1.1496274 3.5534773 8.124551 1 400 1 +ATOM O O . THR A0 1 54 . 54 THR A0 O 0 0.11029337 4.203624 8.267778 1 401 1 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 0 2.4404511 3.7949681 10.260946 1 402 1 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 0 3.6971602 4.200772 10.813329 1 403 1 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 0 2.2137086 2.314059 10.567761 1 404 1 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 0 1.2253026 2.4274507 7.420042 1 405 1 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 0 0.033936463 1.7668825 6.9055467 1 406 1 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 0 0.0045415983 0.3609854 7.48456 1 407 1 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 0 0.9121388 -0.43955356 7.2389565 1 408 1 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 0 0.014462871 1.702141 5.3682585 1 409 1 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 0 0.14701927 3.1029606 4.7620807 1 410 1 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 0 -1.2865062 1.0379838 4.8897085 1 411 1 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 0 0.18838608 3.1269922 3.2447464 1 412 1 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 0 -1.0296164 0.096636206 8.271538 1 413 1 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 0 -1.1940242 -1.2080419 8.881706 1 414 1 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 0 -2.42983 -1.8676221 8.288404 1 415 1 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 0 -3.4876375 -1.2332878 8.186901 1 416 1 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 0 -1.3394215 -1.0781496 10.401976 1 417 1 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 0 -1.5085093 -2.4113302 11.11944 1 418 1 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 0 -1.3302138 -2.2695022 12.631511 1 419 1 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 0 -2.4619696 -1.4812783 13.264027 1 420 1 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 0 -2.3305159 -1.4463962 14.74625 1 421 1 +ATOM N N . THR A0 1 57 . 57 THR A0 N 0 -2.2842157 -3.1156394 7.8955245 1 422 1 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 0 -3.409091 -3.8818998 7.3788795 1 423 1 +ATOM C C . THR A0 1 57 . 57 THR A0 C 0 -3.6706696 -5.05465 8.312492 1 424 1 +ATOM O O . THR A0 1 57 . 57 THR A0 O 0 -2.7589612 -5.814103 8.63899 1 425 1 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 0 -3.1299486 -4.3901176 5.9551897 1 426 1 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 0 -2.9181018 -3.2882073 5.0845 1 427 1 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 0 -4.3016624 -5.222579 5.4476943 1 428 1 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 0 -4.911541 -5.1684628 8.751227 1 429 1 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 0 -5.3132234 -6.2367435 9.648561 1 430 1 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 0 -6.396881 -7.086196 8.9960375 1 431 1 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 0 -7.3791914 -6.5539064 8.482832 1 432 1 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 0 -5.825277 -5.672028 10.970833 1 433 1 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 0 -4.7784214 -4.8775973 11.731672 1 434 1 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 0 -5.2889557 -4.363167 13.0638485 1 435 1 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 0 -4.4499984 -4.0524826 13.940462 1 436 1 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 0 -6.5246344 -4.2680683 13.238536 1 437 1 +ATOM N N . SER A0 1 59 . 59 SER A0 N 0 -6.205879 -8.37442 8.997373 1 438 1 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 0 -7.205382 -9.307559 8.494766 1 439 1 +ATOM C C . SER A0 1 59 . 59 SER A0 C 0 -7.1900363 -10.550089 9.366776 1 440 1 +ATOM O O . SER A0 1 59 . 59 SER A0 O 0 -6.3123884 -10.721962 10.212658 1 441 1 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 0 -6.9466033 -9.666819 7.0310316 1 442 1 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 0 -5.839918 -10.5445175 6.911622 1 443 1 +ATOM N N . THR A0 1 60 . 60 THR A0 N 0 -8.138272 -11.413109 9.136128 1 444 1 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 0 -8.25433 -12.604829 9.963171 1 445 1 +ATOM C C . THR A0 1 60 . 60 THR A0 C 0 -7.031266 -13.513232 9.844871 1 446 1 +ATOM O O . THR A0 1 60 . 60 THR A0 O 0 -6.647542 -14.162069 10.823184 1 447 1 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 0 -9.5248165 -13.39157 9.605946 1 448 1 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 0 -9.606865 -13.54522 8.189007 1 449 1 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 0 -10.76036 -12.649052 10.085346 1 450 1 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 0 -6.404437 -13.555912 8.690805 1 451 1 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 0 -5.3008904 -14.489485 8.506939 1 452 1 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 0 -3.9332325 -13.840708 8.318031 1 453 1 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 0 -2.9204178 -14.549659 8.346903 1 454 1 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 0 -5.597389 -15.42066 7.328081 1 455 1 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 0 -6.669793 -16.478764 7.6305714 1 456 1 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 0 -6.992616 -17.290668 6.386935 1 457 1 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 0 -6.224882 -17.40581 8.758894 1 458 1 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 0 -3.9098144 -12.507685 8.149704 1 459 1 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 0 -2.6183562 -11.874731 7.9512644 1 460 1 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 0 -2.6371028 -10.414216 8.352201 1 461 1 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 0 -3.5085592 -9.659351 7.921296 1 462 1 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 0 -2.1790988 -11.99901 6.4959884 1 463 1 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 0 -0.6897932 -11.9953165 6.289876 1 464 1 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 0 -0.0839217 -13.187166 6.9831595 1 465 1 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 0 1.3170516 -13.473101 6.511837 1 466 1 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 0 1.849275 -14.662857 7.2232537 1 467 1 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 0 -1.6825012 -10.03877 9.177289 1 468 1 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 0 -1.461192 -8.641802 9.532528 1 469 1 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 0 -0.12855041 -8.20215 8.954362 1 470 1 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 0 0.8709071 -8.913853 9.077061 1 471 1 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 0 -1.4411736 -8.443869 11.045628 1 472 1 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 0 -2.757925 -8.782669 11.703083 1 473 1 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 0 -3.8092794 -8.764227 11.078451 1 474 1 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 0 -2.7008398 -9.0770645 12.991209 1 475 1 +ATOM N N . THR A0 1 64 . 64 THR A0 N 0 -0.1222279 -7.0524087 8.319773 1 476 1 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 0 1.1199833 -6.4718432 7.829888 1 477 1 +ATOM C C . THR A0 1 64 . 64 THR A0 C 0 1.1907973 -5.011777 8.247852 1 478 1 +ATOM O O . THR A0 1 64 . 64 THR A0 O 0 0.1665815 -4.380979 8.524519 1 479 1 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 0 1.252126 -6.5704837 6.2953243 1 480 1 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 0 0.1752207 -5.8793535 5.6796994 1 481 1 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 0 1.2661333 -8.018875 5.852702 1 482 1 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 0 2.4092283 -4.4960046 8.311422 1 483 1 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 0 2.5921175 -3.096474 8.661079 1 484 1 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 0 3.8493896 -2.5724177 7.999089 1 485 1 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 0 4.891543 -3.2366612 8.012624 1 486 1 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 0 2.6981874 -2.926896 10.177437 1 487 1 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 0 2.8928237 -1.4873291 10.618061 1 488 1 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 0 2.9065914 -1.3362193 12.129683 1 489 1 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 0 2.431332 -2.2593656 12.831903 1 490 1 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 0 3.3914883 -0.29455763 12.622772 1 491 1 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 0 3.7359378 -1.3862958 7.408828 1 492 1 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 0 4.9045057 -0.7042494 6.8872633 1 493 1 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 0 4.95476 0.71156156 7.4331436 1 494 1 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 0 3.9201527 1.3525975 7.6312685 1 495 1 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 0 4.9502273 -0.6738088 5.3403077 1 496 1 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 0 3.7005105 -0.0050070593 4.7653036 1 497 1 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 0 5.168824 -2.0667934 4.7896724 1 498 1 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 0 3.7696698 0.24797687 3.2556574 1 499 1 +ATOM N N . SER A0 1 67 . 67 SER A0 N 0 6.1530623 1.181287 7.7282476 1 500 1 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 0 6.3915715 2.5725713 8.080348 1 501 1 +ATOM C C . SER A0 1 67 . 67 SER A0 C 0 7.4772797 3.094542 7.156284 1 502 1 +ATOM O O . SER A0 1 67 . 67 SER A0 O 0 8.474876 2.4089608 6.907716 1 503 1 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 0 6.818513 2.720172 9.541715 1 504 1 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 0 5.7458887 2.4495747 10.417253 1 505 1 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 0 7.303258 4.294363 6.663147 1 506 1 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 0 8.211758 4.7900815 5.6314483 1 507 1 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 0 8.195383 6.3073535 5.584902 1 508 1 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 0 7.3067684 6.9601383 6.1363015 1 509 1 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 0 7.810026 4.2245092 4.2573094 1 510 1 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 0 6.3877287 4.5408516 3.888206 1 511 1 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 0 5.3561544 3.7033968 4.287195 1 512 1 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 0 6.076699 5.6712866 3.165045 1 513 1 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 0 4.0349236 4.003615 3.976107 1 514 1 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 0 4.762623 5.9730945 2.850977 1 515 1 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 0 3.7471187 5.1344314 3.255687 1 516 1 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 0 9.188934 6.839505 4.929305 1 517 1 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 0 9.28721 8.254122 4.6080694 1 518 1 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 0 9.165098 8.386383 3.0960848 1 519 1 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 0 9.7435665 7.5996447 2.349884 1 520 1 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 0 10.618496 8.842285 5.1125655 1 521 1 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 0 10.672203 8.788364 6.643572 1 522 1 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 0 10.816355 10.267086 4.6076307 1 523 1 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 0 12.046317 9.09952 7.2205944 1 524 1 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 0 8.393135 9.363115 2.645152 1 525 1 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 0 8.18124 9.529108 1.2094522 1 526 1 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 0 9.512686 9.638714 0.4659616 1 527 1 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 0 10.406258 10.376739 0.87039346 1 528 1 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 0 7.3346777 10.778467 0.93783873 1 529 1 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 0 5.8868227 10.716879 1.4109707 1 530 1 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 0 5.225484 12.0807295 1.2325928 1 531 1 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 0 5.117158 9.637135 0.6659873 1 532 1 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 0 9.61268 8.872728 -0.60569596 1 533 1 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 0 10.786241 8.894093 -1.4538625 1 534 1 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 0 11.948746 8.051161 -0.97698826 1 535 1 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 0 12.954574 7.954709 -1.6894574 1 536 1 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 0 11.816273 7.42423 0.2051681 1 537 1 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 0 12.908934 6.6585226 0.78453636 1 538 1 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 0 12.616388 5.163375 0.65747964 1 539 1 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 0 11.638389 4.6677485 1.2289071 1 540 1 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 0 13.111182 7.040311 2.2499042 1 541 1 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 0 13.261547 8.545579 2.477378 1 542 1 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 0 14.547897 9.097303 1.9099826 1 543 1 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 0 15.587725 8.444554 1.9487776 1 544 1 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 0 14.484202 10.30261 1.3655167 1 545 1 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 0 13.459225 4.4394584 -0.06946282 1 546 1 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 0 13.244867 3.0204382 -0.3082208 1 547 1 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 0 13.37005 2.2223182 0.98244566 1 548 1 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 0 14.218414 2.5178485 1.8304648 1 549 1 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 0 14.253011 2.5067153 -1.342609 1 550 1 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 0 13.997711 1.0846888 -1.8093367 1 551 1 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 0 14.938499 0.67896456 -2.9233932 1 552 1 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 0 14.463247 0.42034903 -4.050599 1 553 1 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 0 16.161852 0.62517416 -2.6618881 1 554 1 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 0 12.514204 1.1931008 1.1345211 1 555 1 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 0 12.542255 0.34900212 2.3246744 1 556 1 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 0 12.245188 -1.0933621 1.9511595 1 557 1 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 0 11.729541 -1.3759272 0.86715555 1 558 1 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 0 11.54615 0.8490009 3.3824782 1 559 1 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 0 10.107644 0.8735299 2.91528 1 560 1 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 0 9.628496 1.9505196 2.1875324 1 561 1 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 0 9.246451 -0.17343536 3.2080598 1 562 1 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 0 8.306257 1.9813843 1.7546372 1 563 1 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 0 7.930989 -0.14604947 2.7793148 1 564 1 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 0 7.462208 0.93305683 2.0514011 1 565 1 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 0 12.585666 -1.998776 2.8661532 1 566 1 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 0 12.310765 -3.4186654 2.6732864 1 567 1 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 0 10.903619 -3.7424784 3.1573672 1 568 1 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 0 10.488394 -3.3038898 4.2353287 1 569 1 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 0 13.317797 -4.276116 3.4435587 1 570 1 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 0 14.733292 -4.126269 2.923485 1 571 1 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 0 14.928631 -4.238908 1.6980321 1 572 1 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 0 15.637982 -3.9113126 3.7472959 1 573 1 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 0 10.188648 -4.527606 2.361404 1 574 1 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 0 8.833897 -4.9285755 2.7123322 1 575 1 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 0 8.673676 -6.417267 2.483395 1 576 1 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 0 9.1028805 -6.936041 1.4533603 1 577 1 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 0 7.8169975 -4.159425 1.8597975 1 578 1 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 0 6.366254 -4.5722675 2.1063414 1 579 1 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 0 5.38691 -3.8631067 1.1975822 1 580 1 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 0 5.8232975 -3.1061435 0.3017062 1 581 1 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 0 4.1552877 -4.0605793 1.366375 1 582 1 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 0 8.058214 -7.1180553 3.4321852 1 583 1 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 0 7.5877132 -8.482611 3.2230856 1 584 1 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 0 6.080471 -8.412449 3.0349226 1 585 1 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 0 5.363224 -7.9865294 3.9373317 1 586 1 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 0 7.9519424 -9.412903 4.396306 1 587 1 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 0 9.457884 -9.452759 4.5986357 1 588 1 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 0 7.4129677 -10.817486 4.120233 1 589 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 5.6285167 -8.81085 1.8529298 1 590 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 4.216428 -8.669187 1.5060756 1 591 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 3.3738685 -9.778269 2.1381273 1 592 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 3.9051273 -10.7494755 2.6799772 1 593 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 4.019879 -8.686029 -0.020490944 1 594 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 4.4053054 -9.969519 -0.515046 1 595 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 4.8639336 -7.6033626 -0.68561625 1 596 1 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 0 2.0545683 -9.637697 2.0473173 1 597 1 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 0 1.1606238 -10.6372795 2.6217275 1 598 1 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 0 1.3618792 -12.011738 1.9860754 1 599 1 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 0 1.1433004 -13.031801 2.643971 1 600 1 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 0 -0.29150867 -10.195351 2.476283 1 601 1 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 0 1.7704408 -12.043832 0.72236127 1 602 1 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 0 2.0533895 -13.295559 0.027003786 1 603 1 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 0 3.523577 -13.68594 0.10759938 1 604 1 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 0 3.9867454 -14.54129 -0.6607946 1 605 1 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 0 1.604689 -13.2282715 -1.4419928 1 606 1 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 0 2.274539 -12.123812 -2.2272172 1 607 1 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 0 2.2760725 -10.959526 -1.744172 1 608 1 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 0 2.7878034 -12.398598 -3.3416626 1 609 1 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 0 4.25959 -13.0730295 1.022228 1 610 1 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 0 5.627437 -13.441637 1.3622867 1 611 1 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 0 6.656949 -13.12148 0.2819117 1 612 1 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 0 7.713478 -13.75638 0.22188285 1 613 1 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 0 5.7123947 -14.927638 1.7521329 1 614 1 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 0 4.91362 -15.238651 3.002563 1 615 1 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 0 4.9593363 -14.431443 3.9521642 1 616 1 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 0 4.2448177 -16.293205 3.0362873 1 617 1 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 0 6.3764567 -12.143509 -0.56497145 1 618 1 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 0 7.424221 -11.608566 -1.4175081 1 619 1 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 0 8.28353 -10.655276 -0.59822714 1 620 1 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 0 7.7702155 -9.873823 0.2171854 1 621 1 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 0 6.8468056 -10.853664 -2.6195402 1 622 1 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 0 6.2184124 -11.702929 -3.6914434 1 623 1 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 0 5.486253 -10.808666 -4.7012897 1 624 1 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 0 4.281393 -10.260574 -4.0815706 1 625 1 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 0 3.9063594 -8.987236 -4.144081 1 626 1 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 0 4.6395054 -8.110392 -4.8161345 1 627 1 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 0 2.7931032 -8.598972 -3.523086 1 628 1 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 0 9.562539 -10.72838 -0.82287514 1 629 1 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 0 10.486387 -9.768031 -0.22832657 1 630 1 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 0 10.81428 -8.732456 -1.2913555 1 631 1 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 0 11.5038805 -9.033293 -2.2714648 1 632 1 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 0 11.744742 -10.477386 0.26822627 1 633 1 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 0 11.463514 -11.525063 1.3330811 1 634 1 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 0 12.734068 -12.272512 1.7318273 1 635 1 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 0 12.422941 -13.328325 2.7877202 1 636 1 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 0 13.645924 -14.0679245 3.2025023 1 637 1 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 0 10.297108 -7.5336323 -1.0992031 1 638 1 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 0 10.402428 -6.506725 -2.134822 1 639 1 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 0 11.096096 -5.258296 -1.6101016 1 640 1 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 0 11.18199 -5.0269403 -0.39954817 1 641 1 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 0 9.011263 -6.1182127 -2.69815 1 642 1 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 0 8.244673 -7.3665843 -3.1412258 1 643 1 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 0 8.206219 -5.341693 -1.6571598 1 644 1 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 0 11.605103 -4.47945 -2.5390296 1 645 1 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 0 12.056961 -3.1233437 -2.2463925 1 646 1 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 0 10.924083 -2.1832657 -2.6226301 1 647 1 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 0 10.468899 -2.1824687 -3.767385 1 648 1 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 0 13.30925 -2.775783 -3.0537894 1 649 1 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 0 14.518049 -3.627234 -2.7456388 1 650 1 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 0 15.133635 -3.2641647 -1.3966238 1 651 1 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 0 16.448193 -4.0026655 -1.1841607 1 652 1 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 0 17.044388 -3.643794 0.11584568 1 653 1 +ATOM N N . SER A0 1 86 . 86 SER A0 N 0 10.445608 -1.4004161 -1.6739643 1 654 1 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 0 9.3221035 -0.49940923 -1.9063977 1 655 1 +ATOM C C . SER A0 1 86 . 86 SER A0 C 0 9.74954 0.95455647 -1.7878976 1 656 1 +ATOM O O . SER A0 1 86 . 86 SER A0 O 0 10.569403 1.3081388 -0.9376396 1 657 1 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 0 8.195541 -0.76801956 -0.9005816 1 658 1 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 0 7.503106 -1.9718082 -1.20169 1 659 1 +ATOM N N . THR A0 1 87 . 87 THR A0 N 0 9.199354 1.7745253 -2.6473851 1 660 1 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 0 9.336689 3.222472 -2.5414503 1 661 1 +ATOM C C . THR A0 1 87 . 87 THR A0 C 0 7.9596643 3.84168 -2.7125082 1 662 1 +ATOM O O . THR A0 1 87 . 87 THR A0 O 0 7.2338953 3.475319 -3.6386342 1 663 1 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 0 10.293745 3.7961783 -3.602003 1 664 1 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 0 11.529349 3.0795202 -3.580868 1 665 1 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 0 10.57119 5.272953 -3.3187504 1 666 1 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 0 7.6065025 4.747335 -1.8176283 1 667 1 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 0 6.302704 5.403102 -1.8780203 1 668 1 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 0 6.52057 6.905423 -1.9748635 1 669 1 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 0 7.2911367 7.481111 -1.2064446 1 670 1 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 0 5.433038 5.0490856 -0.65424156 1 671 1 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 0 5.277817 3.5324533 -0.54320437 1 672 1 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 0 4.071044 5.7292666 -0.76151747 1 673 1 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 0 4.459339 3.0647259 0.6511928 1 674 1 +ATOM N N . THR A0 1 89 . 89 THR A0 N 0 5.8371477 7.5139837 -2.935238 1 675 1 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 0 5.9412847 8.947449 -3.1813927 1 676 1 +ATOM C C . THR A0 1 89 . 89 THR A0 C 0 4.548582 9.555067 -3.278059 1 677 1 +ATOM O O . THR A0 1 89 . 89 THR A0 O 0 3.5467982 8.836992 -3.3439543 1 678 1 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 0 6.7089634 9.235096 -4.4920793 1 679 1 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 0 6.0722857 8.542858 -5.5609303 1 680 1 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 0 8.161896 8.774444 -4.379593 1 681 1 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 0 4.4865427 10.876581 -3.2707658 1 682 1 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 0 3.2540946 11.58919 -3.553094 1 683 1 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 0 3.3085852 12.141152 -4.9716687 1 684 1 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 0 4.2871704 12.805507 -5.342103 1 685 1 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 0 3.0505955 12.751747 -2.5825772 1 686 1 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 0 2.264804 12.505269 -1.3062713 1 687 1 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 0 2.2095647 13.794322 -0.5044118 1 688 1 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 0 0.858934 12.0129175 -1.6155126 1 689 1 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 0 2.2747898 11.846519 -5.760042 1 690 1 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 0 2.1588576 12.341804 -7.1289997 1 691 1 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 0 0.77545524 12.973907 -7.269417 1 692 1 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 0 -0.2196789 12.276926 -7.4472017 1 693 1 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 0 2.3402352 11.197322 -8.12636 1 694 1 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 0 2.1152167 11.639773 -9.561143 1 695 1 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 0 2.2600603 12.85423 -9.837675 1 696 1 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 0 1.8098104 10.777003 -10.413096 1 697 1 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 0 0.7233958 14.300247 -7.1598434 1 698 1 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 0 -0.54577535 14.989393 -7.2826915 1 699 1 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 0 -1.5784619 14.536158 -6.2663455 1 700 1 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 0 -2.7474236 14.351799 -6.618374 1 701 1 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 0 -1.1814678 14.369165 -5.0318832 1 702 1 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 0 -2.0787344 13.957799 -3.9652476 1 703 1 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 0 -2.330749 12.465081 -3.883318 1 704 1 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 0 -3.072676 12.020969 -3.0013788 1 705 1 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 0 -1.734588 11.6911745 -4.77312 1 706 1 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 0 -1.8969042 10.24196 -4.7892604 1 707 1 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 0 -0.63447404 9.587902 -4.2296963 1 708 1 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 0 0.47649848 9.902109 -4.66766 1 709 1 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 0 -2.1603537 9.725313 -6.223833 1 710 1 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 0 -2.2841878 8.207325 -6.2348003 1 711 1 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 0 -3.4161065 10.377494 -6.802436 1 712 1 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 0 -0.81755996 8.684828 -3.2682505 1 713 1 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 0 0.3034842 7.902898 -2.7632408 1 714 1 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 0 0.6190175 6.8000193 -3.7701278 1 715 1 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 0 -0.2315411 5.9599304 -4.0672393 1 716 1 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 0 -0.03860925 7.280877 -1.408412 1 717 1 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 0 0.026947197 8.189484 -0.19197948 1 718 1 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 0 -0.5730524 7.486556 1.024086 1 719 1 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 0 1.4760853 8.579728 0.10193871 1 720 1 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 0 1.8264289 6.819976 -4.2885265 1 721 1 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 0 2.2359762 5.8745894 -5.324476 1 722 1 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 0 3.3413057 4.9767275 -4.7772875 1 723 1 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 0 4.43242 5.45936 -4.4435925 1 724 1 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 0 2.72886 6.6031933 -6.589465 1 725 1 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 0 3.1471937 5.5878153 -7.646556 1 726 1 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 0 1.6416407 7.532265 -7.119872 1 727 1 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 0 3.047423 3.6837056 -4.6939464 1 728 1 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 0 3.9909596 2.701621 -4.191229 1 729 1 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 0 4.477444 1.8201629 -5.3285255 1 730 1 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 0 3.6718433 1.2501022 -6.058675 1 731 1 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 0 3.3412628 1.8383592 -3.1112003 1 732 1 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 0 4.2262826 0.712879 -2.6052694 1 733 1 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 0 3.5169463 -0.16535823 -1.598287 1 734 1 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 0 2.2975876 -0.10283175 -1.4438971 1 735 1 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 0 4.2779975 -1.0073818 -0.9019614 1 736 1 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 0 5.7728677 1.7282171 -5.4757824 1 737 1 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 0 6.370422 0.8029783 -6.4321976 1 738 1 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 0 7.1196337 -0.27301967 -5.65835 1 739 1 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 0 7.950709 0.041782238 -4.795533 1 740 1 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 0 7.3266835 1.5269508 -7.4063563 1 741 1 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 0 7.9171104 0.52340764 -8.396658 1 742 1 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 0 6.586093 2.6350539 -8.141064 1 743 1 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 0 6.791789 -1.5302265 -5.9396963 1 744 1 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 0 7.484278 -2.6695101 -5.3634024 1 745 1 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 0 8.35096 -3.3175154 -6.430379 1 746 1 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 0 7.889558 -3.548045 -7.5477166 1 747 1 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 0 6.4964647 -3.713171 -4.8353033 1 748 1 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 0 5.624481 -3.2312422 -3.6911545 1 749 1 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 0 4.598509 -4.2706213 -3.2925324 1 750 1 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 0 4.2523327 -5.160804 -4.0719414 1 751 1 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 0 4.0726423 -4.1639466 -2.067772 1 752 1 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 0 9.586422 -3.6197405 -6.084123 1 753 1 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 0 10.506849 -4.2706003 -7.017172 1 754 1 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 0 11.066591 -5.539113 -6.3833833 1 755 1 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 0 11.475235 -5.5167775 -5.2162323 1 756 1 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 0 11.657595 -3.3283176 -7.4014077 1 757 1 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 0 11.222662 -2.0723653 -8.134066 1 758 1 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 0 12.426783 -1.2150757 -8.498352 1 759 1 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 0 12.004457 0.043088123 -9.23592 1 760 1 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 0 13.16798 0.9080317 -9.553322 1 761 1 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 0 11.08025 -6.609502 -7.1566696 1 762 1 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 0 11.664223 -7.8760304 -6.7031 1 763 1 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 0 11.955648 -8.755215 -7.91566 1 764 1 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 0 11.178846 -8.80304 -8.872561 1 765 1 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 0 10.715044 -8.591224 -5.721349 1 766 1 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 0 9.539915 -9.272917 -6.3748245 1 767 1 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 0 9.408318 -10.627515 -6.5783424 1 768 1 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 0 8.378912 -8.679441 -6.939694 1 769 1 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 0 8.2184925 -10.890474 -7.2182326 1 770 1 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 0 7.570736 -9.700766 -7.4494963 1 771 1 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 0 7.9425397 -7.3439507 -7.0449424 1 772 1 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 0 6.339874 -9.457724 -8.075802 1 773 1 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 0 6.715823 -7.1059465 -7.656948 1 774 1 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 0 5.941637 -8.147369 -8.160589 1 775 1 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 0 13.045704 -9.469345 -7.8846197 1 776 1 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 0 13.416127 -10.452919 -8.907959 1 777 1 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 0 13.2224655 -9.9221735 -10.330881 1 778 1 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 0 12.757542 -10.639054 -11.219028 1 779 1 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 0 12.603312 -11.742445 -8.735154 1 780 1 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 0 12.933667 -12.472589 -7.4492884 1 781 1 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 0 14.084648 -12.34001 -6.9669533 1 782 1 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 0 12.060562 -13.18784 -6.9254704 1 783 1 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 0 13.584241 -8.691203 -10.579962 1 784 1 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 0 13.455813 -8.089963 -11.893415 1 785 1 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 0 12.037121 -7.731666 -12.282742 1 786 1 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 0 11.8074665 -7.3364005 -13.430447 1 787 1 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 0 11.092301 -7.8820896 -11.352657 1 788 1 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 0 9.689098 -7.5530386 -11.605214 1 789 1 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 0 9.3110485 -6.2842875 -10.857931 1 790 1 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 0 10.035202 -5.821766 -9.969805 1 791 1 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 0 8.7775 -8.70788 -11.16263 1 792 1 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 0 9.119974 -10.0530205 -11.772982 1 793 1 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 0 8.329355 -11.158594 -11.090115 1 794 1 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 0 8.842144 -12.537533 -11.479578 1 795 1 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 0 8.163427 -13.596686 -10.689873 1 796 1 +ATOM N N . SER A0 1 105 . 105 SER A0 N 0 8.147333 -5.74724 -11.223396 1 797 1 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 0 7.686289 -4.5233073 -10.590635 1 798 1 +ATOM C C . SER A0 1 105 . 105 SER A0 C 0 6.1659174 -4.4768734 -10.584524 1 799 1 +ATOM O O . SER A0 1 105 . 105 SER A0 O 0 5.521652 -4.955767 -11.525333 1 800 1 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 0 8.257301 -3.3105793 -11.325762 1 801 1 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 0 7.7387543 -2.0979414 -10.820796 1 802 1 +ATOM N N . THR A0 1 106 . 106 THR A0 N 0 5.5922046 -3.9253569 -9.537241 1 803 1 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 0 4.156182 -3.6757784 -9.482044 1 804 1 +ATOM C C . THR A0 1 106 . 106 THR A0 C 0 3.9379952 -2.323912 -8.820124 1 805 1 +ATOM O O . THR A0 1 106 . 106 THR A0 O 0 4.7401376 -1.8965442 -7.9671054 1 806 1 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 0 3.3948643 -4.7932634 -8.721448 1 807 1 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 0 1.9845724 -4.5835276 -8.828985 1 808 1 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 0 3.7808566 -4.8254585 -7.2414155 1 809 1 +ATOM N N . THR A0 1 107 . 107 THR A0 N 0 2.86266 -1.6379045 -9.204285 1 810 1 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 0 2.5724232 -0.31653962 -8.66688 1 811 1 +ATOM C C . THR A0 1 107 . 107 THR A0 C 0 1.2049124 -0.31349877 -7.988285 1 812 1 +ATOM O O . THR A0 1 107 . 107 THR A0 O 0 0.23253421 -0.83916336 -8.534941 1 813 1 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 0 2.6054358 0.75787616 -9.775798 1 814 1 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 0 3.9237013 0.83107543 -10.3072815 1 815 1 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 0 2.22201 2.129572 -9.2103195 1 816 1 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 0 1.1588233 0.27529863 -6.7965927 1 817 1 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 0 -0.07740589 0.40984866 -6.0329227 1 818 1 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 0 -0.30765533 1.8938406 -5.7601676 1 819 1 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 0 0.54853904 2.5531645 -5.152972 1 820 1 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 0 0.0042234953 -0.37012318 -4.7057743 1 821 1 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 0 0.26159793 -1.854621 -4.9706287 1 822 1 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 0 -1.2662537 -0.16791558 -3.8899145 1 823 1 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 0 0.82644564 -2.591762 -3.7579985 1 824 1 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 0 -1.4405423 2.4006574 -6.231866 1 825 1 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 0 -1.787473 3.8002577 -5.9971304 1 826 1 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 0 -2.9416752 3.8892708 -5.009814 1 827 1 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 0 -3.919755 3.1385498 -5.12428 1 828 1 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 0 -2.1778085 4.4928074 -7.3124366 1 829 1 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 0 -1.0320777 4.637494 -8.291716 1 830 1 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 0 -1.5072321 5.34431 -9.559805 1 831 1 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 0 -0.34529755 5.597181 -10.514488 1 832 1 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 0 -0.796702 6.2963367 -11.731877 1 833 1 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 0 -2.8244936 4.799821 -4.053817 1 834 1 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 0 -3.8693945 5.018957 -3.064107 1 835 1 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 0 -4.3050203 6.4668884 -3.1483376 1 836 1 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 0 -3.4678624 7.3818097 -3.0642939 1 837 1 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 0 -3.3558724 4.6852555 -1.658762 1 838 1 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 0 -2.9502783 3.2204175 -1.4916942 1 839 1 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 0 -2.3757005 2.9369938 -0.103147864 1 840 1 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 0 -2.100552 1.5126112 0.11400739 1 841 1 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 0 -0.92688274 0.92962766 -0.15521252 1 842 1 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 0 0.086217225 1.6416376 -0.6550015 1 843 1 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 0 -0.7740314 -0.368923 0.058747735 1 844 1 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 0 -5.597687 6.7010202 -3.3225007 1 845 1 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 0 -6.114679 8.056078 -3.4600039 1 846 1 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 0 -7.429817 8.206791 -2.7223268 1 847 1 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 0 -8.153655 7.2336893 -2.4953296 1 848 1 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 0 -6.3147545 8.411366 -4.940919 1 849 1 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 0 -7.424515 7.6161475 -5.6236277 1 850 1 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 0 -7.6594267 8.124002 -7.0423307 1 851 1 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 0 -8.76597 7.311964 -7.7207084 1 852 1 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 0 -9.08738 7.8466372 -9.059653 1 853 1 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 0 -7.7188716 9.44047 -2.3555331 1 854 1 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 0 -9.026356 9.75359 -1.802849 1 855 1 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 0 -9.967146 10.127467 -2.9325795 1 856 1 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 0 -9.597326 10.923472 -3.8180928 1 857 1 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 0 -8.925623 10.896406 -0.78623474 1 858 1 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 0 -8.385948 10.497396 0.58296067 1 859 1 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 0 -9.379058 9.61434 1.3348086 1 860 1 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 0 -10.745273 10.10478 1.2678931 1 861 1 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 0 -11.248138 11.05517 2.0519457 1 862 1 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 0 -10.493113 11.599231 2.994355 1 863 1 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 0 -12.504751 11.433539 1.8813689 1 864 1 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 0 -11.157659 9.551239 -2.8953578 1 865 1 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 0 -12.202586 9.877882 -3.857273 1 866 1 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 0 -13.524702 9.895704 -3.0970318 1 867 1 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 0 -13.93492 8.875799 -2.5365 1 868 1 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 0 -12.223706 8.842682 -4.9848833 1 869 1 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 0 -13.343494 9.039365 -5.9885483 1 870 1 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 0 -13.344118 7.9935074 -7.075798 1 871 1 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 0 -12.298803 7.7814736 -7.7178974 1 872 1 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 0 -14.393945 7.3491187 -7.278883 1 873 1 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 0 -14.166723 11.058855 -3.0864093 1 874 1 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 0 -15.353643 11.244738 -2.2500985 1 875 1 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 0 -15.012906 10.865061 -0.8163832 1 876 1 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 0 -14.016737 11.357047 -0.2780641 1 877 1 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 0 -16.54358 10.442854 -2.8085341 1 878 1 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 0 -16.976513 10.928438 -4.179031 1 879 1 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 0 -16.763409 12.11425 -4.480203 1 880 1 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 0 -17.530201 10.124853 -4.956821 1 881 1 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 0 -15.79132 9.995017 -0.18285222 1 882 1 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 0 -15.494875 9.557295 1.1782794 1 883 1 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 0 -14.725025 8.244112 1.2047403 1 884 1 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 0 -14.6143055 7.616967 2.257137 1 885 1 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 0 -16.78779 9.398093 1.9836199 1 886 1 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 0 -17.458725 10.721299 2.264142 1 887 1 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 0 -16.758774 11.669666 2.687854 1 888 1 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 0 -18.685936 10.820307 2.0599298 1 889 1 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 0 -14.173302 7.8520174 0.068694375 1 890 1 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 0 -13.543519 6.543028 -0.055231344 1 891 1 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 0 -12.035675 6.655245 -0.21160659 1 892 1 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 0 -11.509652 7.7008705 -0.61212313 1 893 1 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 0 -14.121025 5.772547 -1.2557017 1 894 1 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 0 -15.6355095 5.6953773 -1.2769368 1 895 1 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 0 -16.13454 4.971467 -2.5036654 1 896 1 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 0 -17.575195 5.3435264 -2.8112862 1 897 1 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 0 -18.446411 5.295133 -1.6086136 1 898 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 -11.374786 5.564535 0.10111946 1 899 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 -9.96656 5.3987627 -0.20912091 1 900 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 -9.899616 4.332236 -1.295227 1 901 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 -10.302605 3.186413 -1.0702966 1 902 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 -9.187992 4.967594 1.0366361 1 903 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 -7.6592155 5.0127773 0.98697674 1 904 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 -7.1044 4.9729958 2.410797 1 905 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 -7.0754094 3.8847256 0.1685479 1 906 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 -9.433966 4.7191496 -2.4664235 1 907 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 -9.399414 3.828919 -3.620946 1 908 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 -7.966628 3.370102 -3.8628438 1 909 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 -7.0528727 4.2019587 -3.9615474 1 910 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 -9.96635 4.5169344 -4.87643 1 911 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 -9.93803 3.5654063 -6.0588894 1 912 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 -11.391884 5.003175 -4.6031985 1 913 1 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 0 -7.8046656 2.0556965 -3.9397361 1 914 1 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 0 -6.495249 1.4499872 -4.14256 1 915 1 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 0 -6.4737954 0.80110407 -5.521102 1 916 1 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 0 -7.2934375 -0.07827541 -5.813177 1 917 1 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 0 -6.194762 0.39013427 -3.058888 1 918 1 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 0 -4.7799892 -0.15362051 -3.2393813 1 919 1 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 0 -6.3730993 0.9778298 -1.6607149 1 920 1 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 0 -5.573393 1.2441391 -6.371834 1 921 1 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 0 -5.4231186 0.6798482 -7.708601 1 922 1 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 0 -4.08584 -0.028766155 -7.80264 1 923 1 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 0 -3.0333188 0.57331187 -7.549769 1 924 1 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 0 -5.5204754 1.770844 -8.773773 1 925 1 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 0 -5.477834 1.2110337 -10.195246 1 926 1 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 0 -5.3404217 2.2899358 -11.258269 1 927 1 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 0 -5.9325695 2.1409307 -12.34693 1 928 1 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 0 -4.63645 3.2899773 -10.998924 1 929 1 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 0 -4.1269445 -1.3145349 -8.122112 1 930 1 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 0 -2.9396243 -2.153643 -8.189617 1 931 1 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 0 -2.7090962 -2.5978901 -9.624643 1 932 1 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 0 -3.6342607 -3.0908513 -10.26811 1 933 1 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 0 -3.100106 -3.3906887 -7.311651 1 934 1 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 0 -3.8126068 -3.0672176 -5.728523 1 935 1 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 0 -1.5078945 -2.447577 -10.122865 1 936 1 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 0 -1.1981153 -2.7950218 -11.500757 1 937 1 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 0 0.01141318 -3.7257805 -11.544789 1 938 1 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 0 1.0491974 -3.4326725 -10.937578 1 939 1 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 0 -0.92419374 -1.536938 -12.354397 1 940 1 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 0 -0.56529987 -1.934985 -13.778709 1 941 1 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 0 -2.1242802 -0.61408633 -12.337706 1 942 1 +ATOM N N . MET A0 1 123 . 123 MET A0 N 0 -0.15694341 -4.8354206 -12.234801 1 943 1 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 0 0.93637407 -5.76766 -12.509463 1 944 1 +ATOM C C . MET A0 1 123 . 123 MET A0 C 0 0.87137353 -6.113078 -13.990671 1 945 1 +ATOM O O . MET A0 1 123 . 123 MET A0 O 0 -0.09497929 -6.7195454 -14.434403 1 946 1 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 0 0.7974273 -7.0209875 -11.649772 1 947 1 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 0 1.8217505 -8.106203 -11.951562 1 948 1 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 0 3.454567 -7.588114 -11.413417 1 949 1 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 0 4.4634385 -8.924211 -12.0811615 1 950 1 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 0 1.8805017 -5.6936097 -14.719173 1 951 1 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 0 1.8704505 -5.847061 -16.177063 1 952 1 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 0 0.56772196 -5.289505 -16.727493 1 953 1 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 0 0.2487714 -4.1233273 -16.471205 1 954 1 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 0 2.0962863 -7.3175516 -16.548588 1 955 1 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 0 3.4086561 -7.884313 -16.025736 1 956 1 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 0 3.489035 -9.3764305 -16.268055 1 957 1 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 0 4.7174997 -9.977223 -15.612573 1 958 1 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 0 4.730727 -11.453873 -15.771213 1 959 1 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 0 -0.23162103 -6.0671377 -17.440588 1 960 1 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 0 -1.4587437 -5.549057 -18.036137 1 961 1 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 0 -2.6914945 -5.637722 -17.174318 1 962 1 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 0 -3.7800856 -5.252652 -17.62349 1 963 1 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 0 -2.5584128 -6.1297317 -15.940598 1 964 1 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 0 -3.7124963 -6.3965664 -15.091943 1 965 1 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 0 -3.8780527 -5.2980185 -14.04839 1 966 1 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 0 -2.9271097 -4.9598613 -13.338972 1 967 1 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 0 -3.5832872 -7.7675347 -14.395409 1 968 1 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 0 -4.740622 -7.999767 -13.441265 1 969 1 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 0 -3.5080717 -8.878295 -15.433032 1 970 1 +ATOM N N . THR A0 1 127 . 127 THR A0 N 0 -5.095559 -4.758423 -13.962351 1 971 1 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 0 -5.411734 -3.7250464 -12.989132 1 972 1 +ATOM C C . THR A0 1 127 . 127 THR A0 C 0 -6.4838524 -4.226763 -12.034383 1 973 1 +ATOM O O . THR A0 1 127 . 127 THR A0 O 0 -7.520971 -4.7397947 -12.457204 1 974 1 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 0 -5.90254 -2.4363747 -13.675817 1 975 1 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 0 -4.8750153 -1.9280751 -14.523666 1 976 1 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 0 -6.263375 -1.3772078 -12.63715 1 977 1 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 0 -6.228607 -4.075829 -10.750973 1 978 1 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 0 -7.174492 -4.404775 -9.694002 1 979 1 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 0 -7.5650215 -3.1208005 -8.983499 1 980 1 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 0 -6.7146873 -2.255845 -8.7641945 1 981 1 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 0 -6.5286117 -5.378965 -8.714538 1 982 1 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 0 -7.400176 -5.5896096 -7.15743 1 983 1 +ATOM N N . THR A0 1 129 . 129 THR A0 N 0 -8.847299 -2.9904096 -8.63014 1 984 1 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 0 -9.30504 -1.834475 -7.872223 1 985 1 +ATOM C C . THR A0 1 129 . 129 THR A0 C 0 -9.960932 -2.3116784 -6.5824304 1 986 1 +ATOM O O . THR A0 1 129 . 129 THR A0 O 0 -10.857762 -3.163336 -6.6135645 1 987 1 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 0 -10.304535 -0.98822427 -8.681187 1 988 1 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 0 -9.68453 -0.54651946 -9.887027 1 989 1 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 0 -10.744051 0.22748668 -7.866955 1 990 1 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 0 -9.52953 -1.7416955 -5.472709 1 991 1 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 0 -10.081587 -2.0777984 -4.162663 1 992 1 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 0 -10.509175 -0.79501057 -3.4689798 1 993 1 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 0 -9.743387 0.19075981 -3.435869 1 994 1 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 0 -9.073275 -2.8668714 -3.327844 1 995 1 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 0 -8.9471445 -4.2992287 -3.8422656 1 996 1 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 0 -7.707221 -4.9998674 -3.421093 1 997 1 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 0 -7.611106 -5.3494353 -1.9988232 1 998 1 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 0 -8.215536 -6.384069 -1.4155108 1 999 1 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 0 -9.021274 -7.1749535 -2.1200392 1 1000 1 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 0 -8.014354 -6.623802 -0.13282324 1 1001 1 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 0 -11.730297 -0.80368114 -2.9704266 1 1002 1 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 0 -12.331562 0.4030956 -2.4125357 1 1003 1 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 0 -12.555603 0.23071527 -0.9161771 1 1004 1 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 0 -13.114576 -0.7767267 -0.47053516 1 1005 1 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 0 -13.670526 0.73641175 -3.1086102 1 1006 1 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 0 -14.288492 1.9835168 -2.50808 1 1007 1 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 0 -13.454009 0.91338295 -4.609422 1 1008 1 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 0 -12.10941 1.2307642 -0.17492294 1 1009 1 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 0 -12.261936 1.2558007 1.2718629 1 1010 1 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 0 -13.1448765 2.4246037 1.6856513 1 1011 1 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 0 -13.129167 3.4891396 1.0557058 1 1012 1 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 0 -10.8965 1.4042306 1.9534588 1 1013 1 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 0 -10.00906 0.19457546 1.867291 1 1014 1 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 0 -9.334633 -0.1281139 0.6907246 1 1015 1 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 0 -9.830231 -0.6435548 2.961356 1 1016 1 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 0 -8.518115 -1.2403799 0.6153985 1 1017 1 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 0 -9.009418 -1.7556877 2.9008627 1 1018 1 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 0 -8.3582325 -2.0451643 1.7220684 1 1019 1 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 0 -7.55178 -3.1398306 1.6439483 1 1020 1 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 0 -13.899233 2.241438 2.747761 1 1021 1 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 0 -14.663617 3.3109589 3.3837538 1 1022 1 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 0 -14.232134 3.4302669 4.8330736 1 1023 1 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 0 -13.664886 2.5112624 5.405076 1 1024 1 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 0 -16.160175 3.0320182 3.2837706 1 1025 1 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 0 -16.693935 3.1427188 1.8684756 1 1026 1 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 0 -18.166271 2.8062315 1.7483461 1 1027 1 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 0 -18.70048 2.8993058 0.6281853 1 1028 1 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 0 -18.789291 2.4503393 2.7793775 1 1029 1 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 0 -14.518712 4.5838113 5.4223847 1 1030 1 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 0 -14.120407 4.790706 6.815041 1 1031 1 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 0 -14.826699 3.7928097 7.7165318 1 1032 1 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 0 -16.026577 3.5319524 7.555382 1 1033 1 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 0 -14.422696 6.2237315 7.2470837 1 1034 1 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 0 -13.476833 7.2201486 6.5910997 1 1035 1 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 0 -13.392824 8.52527 7.364655 1 1036 1 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 0 -12.520666 9.485246 6.668973 1 1037 1 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 0 -11.207328 9.582693 6.8938046 1 1038 1 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 0 -10.499338 10.470137 6.2016325 1 1039 1 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 0 -10.608927 8.79988 7.7882786 1 1040 1 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 0 -14.071928 3.2221398 8.639465 1 1041 1 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 0 -14.611084 2.2230473 9.542621 1 1042 1 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 0 -15.378433 2.888222 10.673546 1 1043 1 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 0 -15.357651 4.0984454 10.837135 1 1044 1 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 0 -13.489138 1.3342694 10.095028 1 1045 1 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 0 -16.065649 2.186369 11.412005 1 1046 1 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 0 -12.616875 14.099669 4.154809 1 1047 1 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 0 -12.627443 15.004755 3.043414 1 1048 1 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 0 -11.241564 14.425905 5.1431227 1 1049 1 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 0 -14.092485 14.071407 4.9665747 1 1050 1 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 0 0.71350724 -2.7411003 3.4469182 1 1051 1 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 0 1.2964573 -4.0904045 3.3526707 1 1052 1 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 0 -0.7922269 -2.7550678 2.6041253 1 1053 1 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 0 0.46071908 -2.405031 5.095 1 1054 1 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 0 0.63942057 -16.137299 3.1050818 1 1055 1 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 0 -0.1604408 -17.31248 3.4441113 1 1056 1 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 0 -0.41545734 -14.833472 2.6361961 1 1057 1 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 0 1.58184 -15.696527 4.4743676 1 1058 1 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 0 -3.78152 -7.2061434 0.62901735 1 1059 1 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 0 -2.8221538 -7.393794 -0.41210184 1 1060 1 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 0 -2.5515707 -6.411727 -1.2838788 1 1061 1 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 0 -3.1662424 -5.204341 -1.2383506 1 1062 1 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 0 -4.1575913 -4.9642534 -0.24649361 1 1063 1 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 0 -4.4391384 -5.974477 0.6691084 1 1064 1 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 0 -1.2981845 -10.270537 -1.9970639 1 1065 1 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 0 -4.900565 -3.6624074 -0.16238448 1 1066 1 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 0 -4.0720034 -8.263472 1.6122372 1 1067 1 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 0 -5.0803137 -9.184435 1.3775976 1 1068 1 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 0 -5.3675976 -10.178626 2.338799 1 1069 1 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 0 -4.6654634 -10.205711 3.5571544 1 1070 1 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 0 -3.6569805 -9.238119 3.7902093 1 1071 1 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 0 -3.374989 -8.263586 2.8248136 1 1072 1 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 0 -2.1817188 -8.560083 -0.5511453 1 1073 1 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 0 -2.805313 -4.167427 -2.2957315 1 1074 1 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 0 -3.8796434 -3.6891496 -2.8627963 1 1075 1 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 0 -2.1135182 -3.194425 -1.7300539 1 1076 1 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 0 -2.0668347 -4.7227993 -3.238277 1 1077 1 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 0 -1.3958771 -8.783058 -1.7458284 1 1078 1 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 0 -2.4924622 -10.760101 -2.1782365 1 1079 1 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 0 -0.768197 -10.847414 -0.94336027 1 1080 1 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 0 -0.54836375 -10.483773 -3.0566945 1 1081 1 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 0 -4.3001733 -2.6477184 0.23290327 1 1082 1 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 0 -6.1179304 -3.6712358 -0.47754413 1 1083 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +3 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3.cif new file mode 100644 index 0000000000000000000000000000000000000000..6a4e951a3fa27c88436e78a136057600a89f0511 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3.cif @@ -0,0 +1,1402 @@ +data_7fwf-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 94.92 -20.579405 7.039771 -11.654847 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 95.7 -20.244576 6.0084734 -12.632996 1 2 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 96.48 -19.13649 5.0929546 -12.145668 1 3 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 94.92 -18.472544 5.3816833 -11.140191 1 4 +ATOM N N . SER A0 1 2 . 2 SER A0 N 95.7 -18.938953 3.9894214 -12.84528 1 5 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 96.09 -17.911324 3.021096 -12.500704 1 6 +ATOM C C . SER A0 1 2 . 2 SER A0 C 96.09 -16.5232 3.5633292 -12.822399 1 7 +ATOM O O . SER A0 1 2 . 2 SER A0 O 94.92 -16.365046 4.4358172 -13.692432 1 8 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 95.31 -18.142776 1.7090187 -13.24597 1 9 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 94.92 -19.384474 1.1220298 -12.897408 1 10 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 94.92 -15.540715 3.043628 -12.129635 1 11 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 95.31 -14.145753 3.392584 -12.362513 1 12 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 95.7 -13.326869 2.1138995 -12.411545 1 13 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 94.53 -13.711983 1.0910861 -11.840211 1 14 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 94.92 -13.615814 4.3091583 -11.25156 1 15 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 95.31 -14.320578 5.621274 -11.1658 1 16 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 93.75 -15.49752 5.7882767 -10.482877 1 17 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 93.36 -14.00651 6.82866 -11.673725 1 18 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 92.97 -15.891575 7.0413027 -10.582282 1 19 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 93.36 -14.992376 7.699247 -11.296728 1 20 +ATOM N N . MET A0 1 4 . 4 MET A0 N 95.7 -12.190993 2.1722276 -13.0691185 1 21 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 95.7 -11.30528 1.0116538 -13.131744 1 22 +ATOM C C . MET A0 1 4 . 4 MET A0 C 96.09 -10.86034 0.5895538 -11.723196 1 23 +ATOM O O . MET A0 1 4 . 4 MET A0 O 94.53 -10.690707 -0.6057612 -11.468597 1 24 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 94.53 -10.094202 1.3172089 -14.016634 1 25 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 94.14 -9.125261 0.15098727 -14.168269 1 26 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 93.36 -7.967998 0.3987956 -15.538521 1 27 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 91.41 -9.020719 0.079936445 -16.931961 1 28 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 94.53 -10.698946 1.5378822 -10.818264 1 29 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 94.92 -10.2981205 1.2218251 -9.454228 1 30 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 95.31 -11.350351 0.43985644 -8.67345 1 31 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 94.53 -11.050844 -0.07064119 -7.593987 1 32 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 94.14 -9.938907 2.4982605 -8.694147 1 33 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 92.58 -8.268665 3.0630465 -9.040548 1 34 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 95.31 -12.555762 0.29528335 -9.21416 1 35 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 95.31 -13.594637 -0.4839636 -8.541237 1 36 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 96.09 -13.1542425 -1.920012 -8.2689085 1 37 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 95.31 -13.616652 -2.5317621 -7.305087 1 38 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 94.53 -14.878979 -0.50412834 -9.369858 1 39 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 93.75 -15.568462 0.8449049 -9.426245 1 40 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 92.58 -15.142863 1.7865672 -8.716752 1 41 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 91.8 -16.556606 0.9682991 -10.183069 1 42 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 94.53 -12.27672 -2.4809017 -9.111666 1 43 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 96.09 -11.827703 -3.8602757 -8.93627 1 44 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 97.27 -11.00795 -4.0562468 -7.6645203 1 45 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 96.48 -10.8526945 -5.1884174 -7.2030497 1 46 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 94.53 -11.014343 -4.3145237 -10.144949 1 47 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 96.88 -10.479057 -2.9852862 -7.104026 1 48 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 96.88 -9.699265 -3.0497937 -5.868662 1 49 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 96.48 -10.563515 -2.8659515 -4.6238794 1 50 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 95.7 -10.115497 -3.1738741 -3.5166578 1 51 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 96.48 -8.608755 -1.9716899 -5.871869 1 52 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 97.27 -7.558962 -2.1694937 -6.933511 1 53 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 96.48 -7.633465 -1.4914072 -8.139524 1 54 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 96.48 -6.500763 -3.0325072 -6.7159214 1 55 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 95.7 -6.662599 -1.6750257 -9.122252 1 56 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 96.09 -5.5271845 -3.2189183 -7.689496 1 57 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 96.09 -5.6153708 -2.5379076 -8.895092 1 58 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 96.48 -11.77939 -2.376419 -4.781892 1 59 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 96.88 -12.603542 -1.976614 -3.6434093 1 60 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 96.88 -13.059707 -3.1990209 -2.8611455 1 61 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 96.48 -13.50679 -4.190563 -3.4424686 1 62 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 96.09 -13.811517 -1.1368208 -4.1202183 1 63 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 94.53 -14.802319 -0.91542095 -2.987379 1 64 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 94.53 -13.320544 0.20018631 -4.68569 1 65 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 96.88 -12.97038 -3.1150584 -1.5470004 1 66 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 96.88 -13.449549 -4.169137 -0.6689825 1 67 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 96.88 -12.552593 -4.345145 0.53515744 1 68 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 96.48 -11.6837 -3.5145555 0.8120845 1 69 +ATOM N N . THR A0 1 11 . 11 THR A0 N 97.27 -12.786121 -5.422935 1.2567959 1 70 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 97.27 -12.001763 -5.764373 2.4348989 1 71 +ATOM C C . THR A0 1 11 . 11 THR A0 C 97.27 -11.178156 -6.9993753 2.1170707 1 72 +ATOM O O . THR A0 1 11 . 11 THR A0 O 97.27 -11.714003 -8.010927 1.6458769 1 73 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 96.48 -12.9033375 -6.0101194 3.655301 1 74 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 92.58 -13.665556 -4.820975 3.9016576 1 75 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 92.97 -12.064615 -6.3377953 4.895628 1 76 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 97.66 -9.8942585 -6.9276505 2.350368 1 77 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 97.66 -8.929851 -7.9432316 1.9654096 1 78 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 96.88 -8.148955 -8.39477 3.191747 1 79 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 96.09 -7.853016 -7.586248 4.0799904 1 80 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 97.27 -7.9563723 -7.388157 0.91621125 1 81 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 97.66 -8.613144 -6.860306 -0.31856173 1 82 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 98.05 -9.045752 -5.581345 -0.5297413 1 83 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 98.05 -8.902751 -7.580101 -1.5046501 1 84 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 98.05 -9.584007 -5.466464 -1.7832184 1 85 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 98.44 -9.512744 -6.6810646 -2.410764 1 86 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 97.66 -8.704449 -8.9049425 -1.9047674 1 87 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 98.44 -9.91975 -7.06712 -3.6835713 1 88 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 98.05 -9.108246 -9.289291 -3.1677442 1 89 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 98.05 -9.711782 -8.374584 -4.044385 1 90 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 98.05 -7.8161526 -9.689422 3.2312827 1 91 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 97.66 -7.0245833 -10.224159 4.334754 1 92 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 97.66 -5.734911 -10.823989 3.7908053 1 93 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 97.27 -5.732561 -11.507198 2.7716942 1 94 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 97.27 -7.8222446 -11.274328 5.122208 1 95 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 93.75 -8.216454 -12.499723 4.3167515 1 96 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 92.58 -9.020201 -13.468536 5.182066 1 97 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 91.41 -9.461622 -14.672611 4.3639956 1 98 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 89.84 -10.251788 -15.623821 5.178771 1 99 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 97.27 -4.6371164 -10.578846 4.506672 1 100 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 97.27 -3.3444118 -11.131623 4.1060476 1 101 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 96.88 -3.3351479 -12.646874 4.294813 1 102 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 96.09 -3.6718922 -13.142062 5.3728247 1 103 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 96.48 -2.219018 -10.510586 4.9347706 1 104 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 96.09 -0.8076282 -10.952557 4.5419116 1 105 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 96.88 0.17296267 -10.646344 5.668618 1 106 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 96.48 -0.38318625 -10.27061 3.2531037 1 107 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 97.66 -2.9560912 -13.377022 3.236731 1 108 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 97.27 -2.8634653 -14.8321295 3.33823 1 109 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 97.27 -1.4610381 -15.369481 3.0881147 1 110 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 96.88 -1.1775842 -16.505512 3.477083 1 111 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 96.48 -3.8756437 -15.54427 2.408368 1 112 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 94.14 -5.3093066 -15.194685 2.8266845 1 113 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 93.75 -3.6326418 -15.177975 0.95708394 1 114 +ATOM N N . SER A0 1 16 . 16 SER A0 N 97.66 -0.59806937 -14.606728 2.4577327 1 115 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 97.27 0.7807758 -15.053402 2.2951856 1 116 +ATOM C C . SER A0 1 16 . 16 SER A0 C 97.66 1.7199459 -13.865906 2.1305423 1 117 +ATOM O O . SER A0 1 16 . 16 SER A0 O 97.27 1.3062675 -12.78577 1.6908545 1 118 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 96.09 0.92288375 -16.010876 1.1092124 1 119 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 93.75 0.74625194 -15.341296 -0.120264724 1 120 +ATOM N N . SER A0 1 17 . 17 SER A0 N 97.66 2.9597116 -14.096559 2.5018194 1 121 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 97.27 3.9774103 -13.060331 2.4346757 1 122 +ATOM C C . SER A0 1 17 . 17 SER A0 C 97.27 5.322112 -13.708589 2.1417842 1 123 +ATOM O O . SER A0 1 17 . 17 SER A0 O 96.48 5.697522 -14.674246 2.8096452 1 124 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 96.88 4.025666 -12.289898 3.751989 1 125 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 94.53 4.956834 -11.232342 3.6987238 1 126 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 97.66 6.0097885 -13.227802 1.1274897 1 127 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 98.05 7.3202868 -13.745723 0.74267054 1 128 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 97.66 8.337479 -12.613026 0.7744032 1 129 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 97.66 8.117755 -11.556135 0.16742562 1 130 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 96.88 7.2792954 -14.332703 -0.67506975 1 131 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 91.8 6.3403773 -15.517155 -0.8267607 1 132 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 88.67 6.112564 -15.920553 -2.2784872 1 133 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 88.28 5.527321 -17.006683 -2.5045884 1 134 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 88.28 6.5040627 -15.170083 -3.1975741 1 135 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 96.48 9.444494 -12.809355 1.4976869 1 136 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 96.88 10.584057 -11.89949 1.5596875 1 137 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 97.27 10.283491 -10.566418 2.2441232 1 138 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 96.88 11.011732 -9.5912 2.0487576 1 139 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 96.09 11.151208 -11.640348 0.15985225 1 140 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 94.53 11.735907 -12.87359 -0.46617067 1 141 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 92.58 12.231867 -13.753086 0.22768256 1 142 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 92.58 11.683992 -12.933807 -1.7945054 1 143 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 96.88 9.236782 -10.478912 3.0678809 1 144 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 96.88 8.897407 -9.214977 3.7125754 1 145 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 97.27 9.989347 -8.766407 4.6821985 1 146 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 97.27 10.290002 -7.5708013 4.762612 1 147 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 96.48 7.5400925 -9.324164 4.407552 1 148 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 96.88 6.9853563 -8.011532 4.897789 1 149 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 96.88 6.583068 -7.872443 6.21842 1 150 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 97.27 6.8410034 -6.936625 4.0398574 1 151 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 96.88 6.044367 -6.676529 6.679291 1 152 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 96.88 6.3087006 -5.736973 4.4919744 1 153 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 96.88 5.908043 -5.605951 5.812006 1 154 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 97.27 10.596876 -9.711546 5.4039917 1 155 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 96.88 11.674834 -9.3462105 6.315074 1 156 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 96.88 12.865785 -8.747614 5.5614195 1 157 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 96.88 13.426315 -7.733577 5.982305 1 158 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 96.48 12.124053 -10.556856 7.140106 1 159 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 96.88 13.141046 -10.179002 8.202142 1 160 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 95.7 12.745654 -9.501112 9.181043 1 161 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 96.09 14.333689 -10.525454 8.063317 1 162 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 97.27 13.252342 -9.359144 4.4405713 1 163 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 97.27 14.345148 -8.828735 3.6267853 1 164 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 97.27 14.00241 -7.440691 3.081356 1 165 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 96.88 14.860183 -6.5510335 3.0405042 1 166 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 96.48 14.662451 -9.779669 2.469825 1 167 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 94.92 15.377552 -11.042904 2.910101 1 168 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 93.36 15.967075 -11.057915 4.0086913 1 169 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 93.36 15.350853 -12.022863 2.1372857 1 170 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 97.27 12.770258 -7.2665596 2.650196 1 171 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 97.27 12.326479 -5.9585943 2.170866 1 172 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 97.27 12.429246 -4.911732 3.2783813 1 173 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 96.88 12.961284 -3.8092432 3.0645938 1 174 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 96.09 10.886629 -6.0597153 1.6448033 1 175 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 97.66 10.280197 -4.729145 1.238163 1 176 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 98.05 9.29166 -4.1351476 2.018328 1 177 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 98.44 10.686481 -4.0813584 0.08396509 1 178 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 98.05 8.727541 -2.922405 1.6545151 1 179 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 98.05 10.125891 -2.8651419 -0.2894313 1 180 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 98.05 9.149479 -2.2966566 0.50170255 1 181 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 98.44 8.593723 -1.0987759 0.13390425 1 182 +ATOM N N . MET A0 1 24 . 24 MET A0 N 98.05 11.938155 -5.255582 4.481286 1 183 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 97.66 12.025472 -4.325453 5.595519 1 184 +ATOM C C . MET A0 1 24 . 24 MET A0 C 97.27 13.476492 -3.9980853 5.938096 1 185 +ATOM O O . MET A0 1 24 . 24 MET A0 O 96.48 13.794241 -2.8423202 6.2358274 1 186 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 97.27 11.299352 -4.892598 6.8235416 1 187 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 96.09 9.784861 -4.8999887 6.675709 1 188 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 96.48 8.954953 -5.3315544 8.2399 1 189 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 94.14 9.404043 -7.067833 8.383434 1 190 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 98.05 14.363306 -5.0014997 5.908903 1 191 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 97.66 15.783424 -4.7427306 6.14539 1 192 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 96.88 16.322594 -3.7239861 5.1554995 1 193 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 96.48 17.059208 -2.8111715 5.519346 1 194 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 97.66 16.608177 -6.0288153 6.0209117 1 195 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 96.48 16.514078 -6.9848785 7.182195 1 196 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 96.48 17.46715 -8.156485 6.9576793 1 197 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 95.31 17.264473 -9.268051 7.9748173 1 198 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 94.92 18.161457 -10.41918 7.705017 1 199 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 97.66 15.965784 -3.888476 3.8884983 1 200 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 97.27 16.46701 -3.0003242 2.856908 1 201 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 96.88 15.932449 -1.5787375 3.036392 1 202 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 96.09 16.610426 -0.60941887 2.6723514 1 203 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 96.48 16.109665 -3.5445166 1.4744275 1 204 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 94.53 17.052675 -3.1041584 0.37042466 1 205 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 96.09 18.458836 -3.6489062 0.5344194 1 206 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 94.14 18.658089 -4.6507106 1.256651 1 207 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 93.75 19.374767 -3.0574982 -0.07453939 1 208 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 97.66 14.737043 -1.4592737 3.600321 1 209 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 97.27 14.181049 -0.14349848 3.9283438 1 210 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 96.88 14.887959 0.5117957 5.1183367 1 211 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 96.88 14.70474 1.7112855 5.355357 1 212 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 97.27 12.689066 -0.25575393 4.2591534 1 213 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 97.27 11.700537 -0.49806285 3.1161528 1 214 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 98.05 10.293249 -0.67306477 3.693701 1 215 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 97.27 11.717623 0.65182793 2.1220422 1 216 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 97.66 15.671029 -0.2735561 5.8754354 1 217 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 97.27 16.32182 0.21798638 7.0849395 1 218 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 96.88 15.523929 0.0095309 8.353186 1 219 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 96.48 15.823774 0.63381565 9.374447 1 220 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 97.66 14.53419 -0.87105227 8.31654 1 221 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 97.27 13.678581 -1.1196837 9.475205 1 222 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 96.88 14.463579 -1.8833942 10.541534 1 223 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 96.09 15.138205 -2.8731246 10.238013 1 224 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 96.48 12.413069 -1.9048306 9.06229 1 225 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 95.7 11.538429 -2.1917195 10.274548 1 226 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 96.48 11.6218405 -1.1252103 7.9999137 1 227 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 97.27 14.385391 -1.4143368 11.788834 1 228 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 96.88 15.097139 -2.0529928 12.8823395 1 229 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 97.66 14.48244 -3.379024 13.297739 1 230 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 97.27 13.37941 -3.7413867 12.894997 1 231 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 96.88 15.221464 -4.1053123 14.123634 1 232 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 96.88 14.848221 -5.4726467 14.508255 1 233 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 96.88 13.437637 -5.568536 15.09979 1 234 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 96.48 12.625151 -6.3870173 14.66063 1 235 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 96.48 15.872282 -6.0256414 15.501591 1 236 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 96.09 15.521081 -7.388729 16.027794 1 237 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 95.31 14.812682 -7.529956 17.207893 1 238 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 95.31 15.900787 -8.521925 15.342897 1 239 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 94.53 14.488684 -8.785448 17.700087 1 240 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 94.14 15.581473 -9.780796 15.822309 1 241 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 94.14 14.87344 -9.90919 17.001738 1 242 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 96.09 13.155389 -4.743806 16.11104 1 243 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 96.48 11.878588 -4.864662 16.808556 1 244 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 96.88 10.6957035 -4.601268 15.871821 1 245 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 96.88 9.694634 -5.318321 15.90764 1 246 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 96.09 11.833614 -3.9121633 18.001469 1 247 +ATOM N N . THR A0 1 33 . 33 THR A0 N 96.48 10.845626 -3.5921023 15.033764 1 248 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 96.88 9.761942 -3.276164 14.102699 1 249 +ATOM C C . THR A0 1 33 . 33 THR A0 C 96.88 9.619654 -4.3554006 13.032171 1 250 +ATOM O O . THR A0 1 33 . 33 THR A0 O 96.88 8.4966545 -4.6860714 12.631798 1 251 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 96.09 9.981546 -1.8857484 13.473984 1 252 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 93.36 10.022497 -0.9075716 14.509836 1 253 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 92.97 8.845848 -1.5435812 12.496811 1 254 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 96.88 10.746381 -4.931975 12.56167 1 255 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 96.88 10.636724 -6.041401 11.61002 1 256 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 96.48 9.885542 -7.221362 12.218303 1 257 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 96.48 9.056364 -7.8429775 11.542887 1 258 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 96.48 12.017292 -6.512854 11.14299 1 259 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 96.09 12.7199135 -5.558727 10.20793 1 260 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 95.31 13.7976265 -6.266177 9.389862 1 261 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 95.31 14.70016 -7.1145425 10.149517 1 262 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 96.09 15.750526 -6.6843195 10.8464575 1 263 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 94.92 16.031853 -5.383583 10.896053 1 264 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 94.53 16.520077 -7.5599737 11.488724 1 265 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 97.27 10.205168 -7.5468025 13.484268 1 266 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 97.27 9.514406 -8.6703205 14.125878 1 267 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 96.88 8.024902 -8.376391 14.27343 1 268 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 96.48 7.1833735 -9.237 13.967979 1 269 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 96.88 10.13216 -8.972217 15.491863 1 270 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 95.7 11.569787 -9.483007 15.414278 1 271 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 94.14 11.65608 -10.758614 14.5714 1 272 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 94.14 13.099396 -11.182813 14.429052 1 273 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 92.58 13.227031 -12.340339 13.530839 1 274 +ATOM N N . MET A0 1 36 . 36 MET A0 N 96.48 7.6881146 -7.168947 14.722191 1 275 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 96.48 6.287065 -6.7885017 14.868351 1 276 +ATOM C C . MET A0 1 36 . 36 MET A0 C 96.88 5.5687017 -6.789247 13.513147 1 277 +ATOM O O . MET A0 1 36 . 36 MET A0 O 96.48 4.453098 -7.3131485 13.389805 1 278 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 95.7 6.195939 -5.401924 15.526279 1 279 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 94.14 4.770009 -4.8880234 15.727649 1 280 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 93.75 4.73559 -3.3450565 16.647663 1 281 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 91.41 5.185581 -2.2084994 15.375743 1 282 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 96.48 6.2213955 -6.193454 12.507265 1 283 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 96.48 5.622258 -6.131974 11.1835165 1 284 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 96.88 5.483151 -7.502014 10.543728 1 285 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 96.48 4.484 -7.788328 9.880961 1 286 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 96.48 6.479277 -8.363542 10.734653 1 287 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 96.48 6.446871 -9.690875 10.13476 1 288 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 96.48 5.3713207 -10.588658 10.7128935 1 289 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 95.7 4.830783 -11.450317 10.009663 1 290 +ATOM N N . MET A0 1 39 . 39 MET A0 N 96.88 5.0643034 -10.403898 11.981774 1 291 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 96.48 4.035446 -11.21987 12.638438 1 292 +ATOM C C . MET A0 1 39 . 39 MET A0 C 96.09 2.6251109 -10.806486 12.24301 1 293 +ATOM O O . MET A0 1 39 . 39 MET A0 O 96.09 1.7026222 -11.62135 12.324973 1 294 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 96.09 4.1456146 -11.099256 14.161563 1 295 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 94.92 5.347608 -11.774673 14.759037 1 296 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 95.31 5.410024 -11.512712 16.541399 1 297 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 93.36 3.8845901 -12.307245 17.042835 1 298 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 96.48 2.4640684 -9.568523 11.851402 1 299 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 96.48 1.1278095 -9.046448 11.612135 1 300 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 96.48 0.4718729 -9.713942 10.402371 1 301 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 96.09 1.119256 -9.994989 9.393868 1 302 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 95.7 1.1759791 -7.5332804 11.404022 1 303 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 96.48 -0.81028515 -9.97332 10.523035 1 304 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 96.88 -1.6487284 -10.426101 9.409812 1 305 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 96.09 -2.7315135 -9.363789 9.202553 1 306 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 95.31 -3.8751779 -9.5401945 9.616038 1 307 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 96.09 -2.277584 -11.787154 9.72039 1 308 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 95.7 -1.2913601 -12.922657 9.781157 1 309 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 94.53 -0.6839224 -13.213681 8.424395 1 310 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 94.53 -0.4670821 -14.6824045 8.193441 1 311 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 92.97 0.4960994 -15.259548 9.155837 1 312 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 96.88 -2.356594 -8.257177 8.5697 1 313 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 96.48 -3.2955492 -7.1402392 8.487072 1 314 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 96.48 -4.4603963 -7.44071 7.568527 1 315 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 95.7 -4.3746243 -8.32318 6.7074485 1 316 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 96.09 -2.4660368 -5.9970727 7.8906918 1 317 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 95.7 -1.0815425 -6.510373 7.6890316 1 318 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 96.48 -1.0862725 -7.977511 7.900493 1 319 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 96.09 -5.539238 -6.692479 7.732978 1 320 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 96.09 -6.468298 -6.6113505 6.6305075 1 321 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 96.09 -6.366496 -5.241832 5.9962 1 322 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 95.7 -5.7850113 -4.301362 6.5543404 1 323 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 95.7 -7.8957906 -7.0000935 7.0151625 1 324 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 95.7 -8.651146 -5.941855 7.788948 1 325 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 94.53 -8.153405 -4.848941 8.036709 1 326 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 94.14 -9.884472 -6.272058 8.140394 1 327 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 97.27 -6.861101 -5.1594777 4.7843165 1 328 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 96.88 -6.75046 -3.9510274 3.9808598 1 329 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 96.88 -8.132801 -3.6114793 3.455421 1 330 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 96.09 -8.788703 -4.457324 2.8453028 1 331 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 95.7 -5.779002 -4.2015696 2.832174 1 332 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 94.53 -5.622072 -2.8548944 1.6775689 1 333 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 97.27 -8.580091 -2.3948274 3.721234 1 334 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 96.88 -9.874859 -1.9283582 3.2373562 1 335 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 97.27 -9.635582 -0.83739364 2.2061257 1 336 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 97.27 -8.980735 0.16242719 2.5067868 1 337 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 96.48 -10.752512 -1.3891647 4.3809476 1 338 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 94.92 -10.953859 -2.4658551 5.4568887 1 339 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 94.53 -12.106512 -0.9292787 3.8479648 1 340 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 89.06 -10.057451 -2.2683992 6.6670504 1 341 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 97.27 -10.159834 -1.0530045 0.9908905 1 342 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 96.88 -9.983519 -0.079705104 -0.07981129 1 343 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 96.48 -11.35312 0.44868186 -0.48876262 1 344 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 96.48 -12.277856 -0.3365491 -0.72546816 1 345 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 96.88 -9.253466 -0.6997309 -1.2922177 1 346 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 96.88 -7.8688335 -1.1920936 -0.87147903 1 347 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 97.27 -9.149227 0.3170275 -2.4373384 1 348 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 94.14 -7.085301 -1.8897827 -1.9744339 1 349 +ATOM N N . SER A0 1 47 . 47 SER A0 N 96.88 -11.475461 1.7517886 -0.56708413 1 350 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 96.48 -12.72881 2.3805227 -0.9611938 1 351 +ATOM C C . SER A0 1 47 . 47 SER A0 C 96.48 -12.455537 3.5557356 -1.8866966 1 352 +ATOM O O . SER A0 1 47 . 47 SER A0 O 96.88 -11.3376875 4.0765676 -1.9505293 1 353 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 96.48 -13.526615 2.8335948 0.2709339 1 354 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 94.53 -12.781044 3.7352014 1.0615289 1 355 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 96.88 -13.481594 3.9505186 -2.609123 1 356 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 96.48 -13.395895 5.0814576 -3.526205 1 357 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 95.7 -14.6002035 5.98801 -3.314475 1 358 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 95.31 -15.730458 5.5011997 -3.1852055 1 359 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 96.09 -13.347488 4.616688 -4.9982777 1 360 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 94.53 -13.299641 5.810026 -5.9394765 1 361 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 94.14 -12.149662 3.7083998 -5.231097 1 362 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 96.88 -14.357285 7.273758 -3.2648687 1 363 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 96.09 -15.411789 8.282948 -3.1829395 1 364 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 95.7 -15.026667 9.370716 -4.169942 1 365 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 94.53 -14.117718 10.155626 -3.9078681 1 366 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 95.7 -15.505866 8.819076 -1.7579775 1 367 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 93.36 -16.689196 9.7283 -1.5426583 1 368 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 90.23 -16.899937 10.67215 -2.291573 1 369 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 90.23 -17.438599 9.455219 -0.47118068 1 370 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 96.09 -15.713485 9.416574 -5.3164635 1 371 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 95.7 -15.321955 10.352379 -6.3631477 1 372 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 96.09 -13.915749 10.056482 -6.848337 1 373 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 95.7 -13.617724 8.918882 -7.238743 1 374 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 96.09 -13.056562 11.0454 -6.782463 1 375 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 96.09 -11.667378 10.8903265 -7.1964693 1 376 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 96.88 -10.761186 10.38794 -6.081203 1 377 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 96.48 -9.5954685 10.092648 -6.3358083 1 378 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 95.7 -11.109021 12.222719 -7.700732 1 379 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 92.58 -11.775927 12.71125 -8.963905 1 380 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 92.19 -12.075005 11.872514 -9.838369 1 381 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 91.8 -11.97727 13.934388 -9.084268 1 382 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 96.48 -11.284809 10.28861 -4.850708 1 383 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 96.48 -10.452386 9.990511 -3.6915774 1 384 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 96.88 -10.482638 8.49689 -3.3969035 1 385 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 96.88 -11.5432 7.927471 -3.1147013 1 386 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 96.48 -10.904493 10.781948 -2.4538362 1 387 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 95.31 -10.036545 10.432154 -1.2490304 1 388 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 95.31 -10.85504 12.278652 -2.7326522 1 389 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 97.27 -9.309465 7.877408 -3.454583 1 390 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 96.88 -9.137684 6.4816427 -3.0954938 1 391 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 96.88 -8.572906 6.429575 -1.6832746 1 392 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 96.88 -7.641843 7.1629915 -1.3612108 1 393 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 96.88 -8.181297 5.770868 -4.0754204 1 394 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 96.48 -8.69017 5.907428 -5.5095453 1 395 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 97.66 -8.002792 4.3060822 -3.6863024 1 396 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 92.58 -7.6546917 5.5380664 -6.5632267 1 397 +ATOM N N . THR A0 1 54 . 54 THR A0 N 96.88 -9.136188 5.5471635 -0.84730226 1 398 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 96.48 -8.636638 5.3611383 0.5057832 1 399 +ATOM C C . THR A0 1 54 . 54 THR A0 C 96.48 -8.1858425 3.9186587 0.67729795 1 400 +ATOM O O . THR A0 1 54 . 54 THR A0 O 96.88 -8.909857 2.989828 0.29811436 1 401 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 96.48 -9.713053 5.705367 1.5489563 1 402 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 96.09 -10.0920105 7.076502 1.3945172 1 403 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 96.88 -9.195221 5.4798236 2.9716592 1 404 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 96.88 -6.9794416 3.7340329 1.226424 1 405 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 96.48 -6.488489 2.4140172 1.5796916 1 406 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 96.09 -6.1879086 2.4189713 3.0685213 1 407 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 96.09 -5.353691 3.1986623 3.5371525 1 408 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 96.88 -5.221711 2.0165675 0.7887974 1 409 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 96.48 -5.469208 2.1221123 -0.71958375 1 410 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 96.88 -4.795556 0.5883788 1.1642153 1 411 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 93.36 -4.2533207 1.7980547 -1.572976 1 412 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 97.27 -6.9014955 1.5738659 3.7925048 1 413 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 97.27 -6.756997 1.4708489 5.234478 1 414 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 96.48 -6.224117 0.087630115 5.5692234 1 415 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 96.48 -6.7372413 -0.9153758 5.0581965 1 416 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 96.88 -8.113984 1.6991479 5.911728 1 417 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 95.31 -8.10458 1.6376463 7.421157 1 418 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 94.92 -9.489214 1.999429 7.9584146 1 419 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 92.97 -9.517655 1.9845248 9.4823475 1 420 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 91.41 -10.845333 2.4175727 9.990593 1 421 +ATOM N N . THR A0 1 57 . 57 THR A0 N 96.88 -5.174816 0.036338143 6.3748894 1 422 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 96.88 -4.6291676 -1.2305875 6.828519 1 423 +ATOM C C . THR A0 1 57 . 57 THR A0 C 96.48 -4.8183436 -1.3355699 8.332088 1 424 +ATOM O O . THR A0 1 57 . 57 THR A0 O 95.31 -4.4953537 -0.39631975 9.068359 1 425 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 96.48 -3.1358948 -1.3568883 6.469207 1 426 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 94.14 -2.9884515 -1.3092072 5.050226 1 427 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 93.75 -2.5606256 -2.6681414 6.9930296 1 428 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 96.48 -5.370666 -2.4481544 8.771685 1 429 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 96.48 -5.6285057 -2.6803513 10.183488 1 430 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 95.7 -4.9429183 -3.958468 10.638403 1 431 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 95.31 -5.032939 -4.9860907 9.967959 1 432 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 95.7 -7.1267004 -2.7764668 10.45366 1 433 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 94.92 -7.8688135 -1.4876603 10.161877 1 434 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 95.7 -9.340351 -1.5558084 10.535146 1 435 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 94.14 -9.942436 -0.47581047 10.737382 1 436 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 94.14 -9.891176 -2.6708083 10.62533 1 437 +ATOM N N . SER A0 1 59 . 59 SER A0 N 96.09 -4.258547 -3.896245 11.7474375 1 438 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 96.09 -3.664535 -5.0642676 12.377123 1 439 +ATOM C C . SER A0 1 59 . 59 SER A0 C 95.7 -3.6749876 -4.856003 13.876231 1 440 +ATOM O O . SER A0 1 59 . 59 SER A0 O 94.92 -3.9388256 -3.7496085 14.358313 1 441 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 95.31 -2.24086 -5.307966 11.877697 1 442 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 93.36 -1.3158946 -4.4313307 12.499142 1 443 +ATOM N N . THR A0 1 60 . 60 THR A0 N 96.09 -3.368421 -5.8913507 14.60219 1 444 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 95.7 -3.3043132 -5.766822 16.04934 1 445 +ATOM C C . THR A0 1 60 . 60 THR A0 C 95.31 -2.1654725 -4.8463964 16.485767 1 446 +ATOM O O . THR A0 1 60 . 60 THR A0 O 94.14 -2.2067916 -4.2897315 17.584974 1 447 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 95.31 -3.1448498 -7.1461105 16.716042 1 448 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 94.14 -2.001687 -7.8049297 16.159946 1 449 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 94.14 -4.376021 -8.003545 16.471943 1 450 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 95.31 -1.1661364 -4.6870723 15.628656 1 451 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 95.7 0.017042303 -3.9236479 16.006264 1 452 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 95.7 0.011414607 -2.4855514 15.489309 1 453 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 94.92 0.44312862 -1.5817118 16.208847 1 454 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 94.92 1.2666694 -4.6663 15.536167 1 455 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 94.53 1.3697338 -6.0832376 16.137669 1 456 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 93.36 2.4619021 -6.8921385 15.46788 1 457 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 92.97 1.6083925 -6.0076723 17.64878 1 458 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 96.09 -0.45728108 -2.2736175 14.253063 1 459 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 96.09 -0.46417022 -0.9266074 13.664837 1 460 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 95.7 -1.6608908 -0.7433009 12.754411 1 461 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 94.92 -2.0354362 -1.6689124 12.019476 1 462 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 95.31 0.79823536 -0.6563726 12.841845 1 463 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 94.14 2.0906858 -0.6227764 13.60984 1 464 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 92.97 2.217741 0.6123358 14.487661 1 465 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 91.8 3.568953 0.60881484 15.18878 1 466 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 90.23 3.6848297 1.7267772 16.13948 1 467 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 95.7 -2.2315903 0.43996468 12.789919 1 468 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 95.7 -3.2321837 0.85777783 11.816578 1 469 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 95.7 -2.6663804 2.0134754 11.0075245 1 470 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 94.53 -2.0803127 2.9391198 11.573476 1 471 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 95.31 -4.518726 1.3115222 12.496804 1 472 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 94.92 -5.191247 0.21739772 13.2822695 1 473 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 92.97 -5.0797815 -0.959192 12.957608 1 474 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 92.97 -5.9089565 0.6043765 14.320827 1 475 +ATOM N N . THR A0 1 64 . 64 THR A0 N 96.48 -2.8250022 1.9534738 9.701502 1 476 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 96.48 -2.44448 3.0687478 8.837295 1 477 +ATOM C C . THR A0 1 64 . 64 THR A0 C 96.88 -3.5735037 3.3506303 7.8617945 1 478 +ATOM O O . THR A0 1 64 . 64 THR A0 O 96.48 -4.4059753 2.4837642 7.587121 1 479 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 95.7 -1.14458 2.7944698 8.049099 1 480 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 93.36 -1.3197606 1.6445432 7.232664 1 481 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 93.36 0.029968666 2.5857701 8.994513 1 482 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 96.88 -3.5989008 4.568322 7.3547983 1 483 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 96.88 -4.611247 4.944558 6.380519 1 484 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 96.88 -4.063736 6.0421505 5.4879465 1 485 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 96.48 -3.4533124 6.9988737 5.975392 1 486 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 96.09 -5.8805394 5.440362 7.0747795 1 487 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 94.53 -6.9849415 5.8454275 6.119724 1 488 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 94.92 -8.264151 6.240364 6.8358946 1 489 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 93.75 -8.435884 5.8691483 8.021595 1 490 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 93.75 -9.110495 6.923089 6.2143345 1 491 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 97.27 -4.287916 5.892058 4.1826067 1 492 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 97.27 -3.977456 6.962539 3.2474566 1 493 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 97.27 -5.1821127 7.235746 2.371555 1 494 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 96.88 -5.947175 6.3244715 2.0397372 1 495 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 96.48 -2.7410789 6.658861 2.3606126 1 496 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 94.14 -2.936813 5.3665385 1.5600816 1 497 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 94.53 -1.4722039 6.6434155 3.1983824 1 498 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 93.75 -1.8436708 5.1069064 0.50966644 1 499 +ATOM N N . SER A0 1 67 . 67 SER A0 N 97.66 -5.3886228 8.494111 2.0262175 1 500 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 97.27 -6.3735485 8.899292 1.0372137 1 501 +ATOM C C . SER A0 1 67 . 67 SER A0 C 97.27 -5.6637597 9.760659 0.00739165 1 502 +ATOM O O . SER A0 1 67 . 67 SER A0 O 97.27 -4.8470345 10.616211 0.36997038 1 503 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 96.88 -7.5258026 9.677668 1.6719797 1 504 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 94.14 -8.334801 8.83518 2.4610662 1 505 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 97.66 -5.9712915 9.556274 -1.2546344 1 506 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 97.66 -5.2013617 10.218096 -2.302743 1 507 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 97.66 -6.0014954 10.294937 -3.5904403 1 508 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 97.27 -7.0052595 9.599766 -3.7677188 1 509 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 96.88 -3.8811133 9.4641285 -2.5496995 1 510 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 97.66 -4.0956593 8.020281 -2.9027405 1 511 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 98.05 -4.19775 7.0604687 -1.9030007 1 512 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 98.44 -4.210035 7.6140356 -4.2111883 1 513 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 98.05 -4.42028 5.72321 -2.215989 1 514 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 98.05 -4.430746 6.2851315 -4.5286026 1 515 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 98.05 -4.533906 5.341689 -3.5293093 1 516 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 97.27 -5.535347 11.136988 -4.4731684 1 517 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 96.48 -6.0296955 11.246246 -5.8372245 1 518 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 96.48 -4.912942 10.775774 -6.7605376 1 519 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 96.48 -3.7479167 11.117825 -6.5514145 1 520 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 96.48 -6.444087 12.696665 -6.1522064 1 521 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 96.09 -7.640793 13.105728 -5.28697 1 522 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 96.88 -6.7591715 12.872574 -7.637828 1 523 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 89.84 -7.953311 14.593535 -5.329603 1 524 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 97.66 -5.260071 9.978575 -7.760049 1 525 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 96.88 -4.2396374 9.44453 -8.663902 1 526 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 96.48 -3.3957903 10.568405 -9.270296 1 527 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 96.09 -3.9226966 11.577875 -9.732952 1 528 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 96.88 -4.892399 8.6352625 -9.787123 1 529 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 96.09 -5.573771 7.339736 -9.363129 1 530 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 95.7 -6.32641 6.740783 -10.547409 1 531 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 95.7 -4.5658655 6.346016 -8.800953 1 532 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 97.66 -2.089403 10.36772 -9.224787 1 533 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 96.88 -1.146257 11.304658 -9.800812 1 534 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 96.48 -0.78993535 12.490427 -8.932079 1 535 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 95.7 0.07346597 13.283833 -9.321447 1 536 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 98.05 -1.4251326 12.607867 -7.758539 1 537 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 98.05 -1.2263693 13.765886 -6.8970227 1 538 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 97.66 -0.39836907 13.362728 -5.68108 1 539 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 97.27 -0.81219244 12.512114 -4.8887362 1 540 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 97.66 -2.577053 14.337224 -6.4573097 1 541 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 92.97 -3.5282571 14.617708 -7.6212015 1 542 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 91.8 -3.051427 15.745473 -8.51458 1 543 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 91.02 -2.53679 16.754105 -8.037217 1 544 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 91.02 -3.211788 15.57295 -9.818048 1 545 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 97.66 0.77431595 13.981342 -5.519208 1 546 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 97.66 1.6817648 13.63451 -4.4333925 1 547 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 97.27 1.0863197 13.998255 -3.0806725 1 548 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 96.88 0.42796493 15.029694 -2.9347086 1 549 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 96.09 3.0210943 14.351474 -4.6285086 1 550 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 94.92 4.115467 13.905801 -3.6790366 1 551 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 96.09 5.447349 14.543131 -4.01917 1 552 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 94.92 6.3945336 13.8024025 -4.3723183 1 553 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 94.53 5.541928 15.784679 -3.9284277 1 554 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 97.66 1.3193028 13.131145 -2.0729554 1 555 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 97.66 0.8186188 13.377733 -0.72272575 1 556 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 96.88 1.8405616 12.928295 0.30663234 1 557 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 96.48 2.7586439 12.1666355 0.00074755726 1 558 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 96.09 -0.53403103 12.676018 -0.49614722 1 559 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 97.66 -0.4824198 11.176139 -0.6517328 1 560 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 98.44 -0.5899543 10.597481 -1.9052706 1 561 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 98.44 -0.33942455 10.3461485 0.45193806 1 562 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 98.44 -0.5476662 9.209589 -2.0625508 1 563 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 98.05 -0.29712835 8.969261 0.30456853 1 564 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 98.05 -0.40254295 8.401803 -0.95501006 1 565 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 97.66 1.675817 13.422897 1.528727 1 566 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 97.66 2.544204 13.047066 2.6395106 1 567 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 97.27 2.0091252 11.783695 3.2964044 1 568 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 96.88 0.80660003 11.6631565 3.550679 1 569 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 96.88 2.6073103 14.164351 3.6841917 1 570 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 93.75 3.2381334 15.43127 3.1420863 1 571 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 92.97 4.3740454 15.359219 2.6322827 1 572 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 93.36 2.5972152 16.494225 3.247564 1 573 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 97.66 2.922894 10.854237 3.5905395 1 574 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 97.27 2.5505629 9.6023655 4.224455 1 575 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 97.66 3.5031629 9.314901 5.364127 1 576 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 97.27 4.7179565 9.455723 5.2025323 1 577 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 96.48 2.6003976 8.459864 3.2005818 1 578 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 96.48 2.3023465 7.0820317 3.7885585 1 579 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 97.27 2.4159033 5.96288 2.7688284 1 580 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 96.88 2.8221307 6.2251425 1.6151698 1 581 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 96.48 2.1032674 4.795311 3.1223783 1 582 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 96.88 2.9774954 8.908428 6.516697 1 583 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 96.48 3.7785642 8.332434 7.5902863 1 584 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 96.48 3.5415735 6.829792 7.554818 1 585 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 96.09 2.4158773 6.371425 7.723627 1 586 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 96.09 3.4135375 8.916519 8.970027 1 587 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 93.36 3.6234941 10.422831 8.982373 1 588 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 93.36 4.265128 8.245813 10.050798 1 589 +ATOM N N . THR A0 1 78 . 78 THR A0 N 96.88 4.6181526 6.078775 7.307977 1 590 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 96.48 4.499544 4.6355247 7.1203003 1 591 +ATOM C C . THR A0 1 78 . 78 THR A0 C 96.48 4.423635 3.905836 8.4625225 1 592 +ATOM O O . THR A0 1 78 . 78 THR A0 O 96.09 4.6769695 4.495383 9.518888 1 593 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 96.48 5.680552 4.0906296 6.304282 1 594 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 96.09 6.8813467 4.26771 7.058894 1 595 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 96.48 5.796727 4.8206 4.962794 1 596 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 96.88 4.093313 2.6123643 8.408147 1 597 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 96.09 3.99146 1.8253653 9.635116 1 598 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 95.7 5.3164253 1.7910056 10.403795 1 599 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 94.92 5.316987 1.6901237 11.632235 1 600 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 96.09 3.5282302 0.40870357 9.317728 1 601 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 96.88 6.437188 1.8667145 9.687801 1 602 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 96.09 7.7574425 1.9120398 10.305192 1 603 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 96.09 8.245846 3.3330264 10.553923 1 604 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 95.31 9.433905 3.554471 10.801937 1 605 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 95.7 8.786015 1.1381907 9.464071 1 606 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 95.7 8.943977 1.6659992 8.05918 1 607 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 94.92 7.9084196 1.8416253 7.360005 1 608 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 94.92 10.103881 1.8913251 7.625644 1 609 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 96.48 7.3319216 4.2974606 10.493719 1 610 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 96.48 7.581309 5.6827617 10.881434 1 611 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 96.48 8.5007305 6.4508123 9.935429 1 612 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 96.09 9.126689 7.434851 10.340963 1 613 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 96.09 8.100948 5.7677464 12.328581 1 614 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 95.31 7.1093445 5.207739 13.322094 1 615 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 94.14 5.907549 5.5509977 13.22513 1 616 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 93.75 7.5227146 4.430045 14.205467 1 617 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 96.88 8.590868 6.0370216 8.679771 1 618 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 96.88 9.206331 6.8961086 7.6798377 1 619 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 96.88 8.209069 7.97023 7.2782354 1 620 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 96.48 7.011016 7.7086306 7.131278 1 621 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 96.09 9.623718 6.1064444 6.430524 1 622 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 96.09 10.807609 5.1915026 6.5957623 1 623 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 95.7 10.961688 4.3028393 5.352193 1 624 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 95.31 9.891287 3.3023612 5.3427615 1 625 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 96.88 9.159933 2.979578 4.279829 1 626 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 95.7 9.386918 3.5621614 3.1149116 1 627 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 95.31 8.20108 2.064973 4.3971195 1 628 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 97.66 8.728529 9.154474 7.092827 1 629 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 97.27 7.9365416 10.246219 6.538641 1 630 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 97.27 8.298775 10.364911 5.068121 1 631 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 96.88 9.41611 10.765637 4.730045 1 632 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 97.27 8.221525 11.547443 7.290495 1 633 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 94.53 7.909318 11.467658 8.777473 1 634 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 93.75 8.307787 12.748395 9.502532 1 635 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 92.58 8.034962 12.621634 10.997107 1 636 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 91.8 8.377451 13.87335 11.724684 1 637 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 97.66 7.3708096 9.9809475 4.211493 1 638 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 97.27 7.665551 9.890797 2.7830663 1 639 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 97.27 6.7211065 10.766218 1.9683781 1 640 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 97.27 5.6378226 11.136914 2.424356 1 641 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 96.09 7.5846486 8.42948 2.2750425 1 642 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 95.7 8.457026 7.50605 3.125796 1 643 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 96.48 6.138329 7.93503 2.2457294 1 644 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 97.66 7.163873 11.091047 0.77174 1 645 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 97.66 6.2857924 11.668995 -0.2390004 1 646 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 97.66 5.835646 10.529894 -1.1438873 1 647 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 97.27 6.667799 9.82836 -1.7231584 1 648 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 97.27 7.019895 12.723585 -1.0721059 1 649 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 95.31 7.4932632 13.932846 -0.29523227 1 650 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 94.92 6.333397 14.834347 0.083550505 1 651 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 92.97 6.8353233 16.148083 0.6980054 1 652 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 91.8 5.6974354 17.005249 1.0675123 1 653 +ATOM N N . SER A0 1 86 . 86 SER A0 N 98.05 4.537408 10.323044 -1.251751 1 654 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 98.05 3.9861214 9.231718 -2.0501208 1 655 +ATOM C C . SER A0 1 86 . 86 SER A0 C 98.05 3.1960351 9.767401 -3.2390304 1 656 +ATOM O O . SER A0 1 86 . 86 SER A0 O 97.27 2.5054955 10.779123 -3.132828 1 657 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 96.88 3.058157 8.352476 -1.2054632 1 658 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 92.19 3.7907875 7.554003 -0.28958312 1 659 +ATOM N N . THR A0 1 87 . 87 THR A0 N 97.27 3.3245785 9.0868225 -4.3530293 1 660 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 96.88 2.4783125 9.334622 -5.5133185 1 661 +ATOM C C . THR A0 1 87 . 87 THR A0 C 96.88 1.9725165 7.9917545 -6.012455 1 662 +ATOM O O . THR A0 1 87 . 87 THR A0 O 96.88 2.7558627 7.048277 -6.151926 1 663 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 96.88 3.2397275 10.050741 -6.6435156 1 664 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 94.53 3.899056 11.208179 -6.1333914 1 665 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 95.7 2.2745252 10.479992 -7.7512493 1 666 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 97.66 0.67553705 7.899894 -6.2647314 1 667 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 97.27 0.075374104 6.66216 -6.747571 1 668 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 96.48 -0.6121545 6.945903 -8.07836 1 669 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 96.88 -1.3660085 7.910149 -8.20034 1 670 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 97.66 -0.91761464 6.0736504 -5.7235374 1 671 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 97.27 -0.21596204 5.858368 -4.379322 1 672 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 98.05 -1.5072734 4.7679453 -6.2464867 1 673 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 93.75 -1.1080848 5.3065014 -3.2757921 1 674 +ATOM N N . THR A0 1 89 . 89 THR A0 N 96.88 -0.32024604 6.103045 -9.056138 1 675 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 96.48 -0.8661101 6.2313576 -10.398254 1 676 +ATOM C C . THR A0 1 89 . 89 THR A0 C 96.88 -1.448811 4.8976755 -10.843996 1 677 +ATOM O O . THR A0 1 89 . 89 THR A0 O 96.88 -1.228231 3.8625274 -10.201693 1 678 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 96.88 0.21989396 6.6731973 -11.404471 1 679 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 94.92 1.306802 5.757185 -11.344986 1 680 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 95.31 0.72408456 8.075458 -11.075233 1 681 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 97.66 -2.1954737 4.9194226 -11.938311 1 682 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 96.88 -2.628377 3.6928945 -12.594783 1 683 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 96.48 -1.7675637 3.4622746 -13.829197 1 684 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 95.7 -1.6218667 4.3624325 -14.6620035 1 685 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 96.48 -4.0856595 3.787508 -13.041414 1 686 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 94.92 -5.165945 3.3471029 -12.072161 1 687 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 94.14 -6.5259104 3.5672307 -12.718208 1 688 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 94.53 -4.9954195 1.8900335 -11.674756 1 689 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 96.48 -1.1874717 2.2670763 -13.924757 1 690 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 96.09 -0.366087 1.862628 -15.064075 1 691 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 96.09 -0.90889454 0.5253471 -15.5581455 1 692 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 94.92 -0.6391035 -0.51905173 -14.968218 1 693 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 95.31 1.1026857 1.7417779 -14.643064 1 694 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 94.53 1.9894247 1.2102692 -15.757879 1 695 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 93.36 1.5972573 1.3457723 -16.94461 1 696 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 92.58 3.0776944 0.6734894 -15.45415 1 697 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 96.09 -1.7147126 0.5595907 -16.620132 1 698 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 96.09 -2.275331 -0.66312546 -17.160408 1 699 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 96.09 -3.0969958 -1.4441984 -16.152393 1 700 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 95.31 -2.9849997 -2.6769738 -16.087627 1 701 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 96.09 -3.9173183 -0.7794965 -15.386218 1 702 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 96.48 -4.7764006 -1.421197 -14.401213 1 703 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 96.88 -4.110339 -1.7269655 -13.076815 1 704 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 96.48 -4.7741303 -2.246625 -12.173182 1 705 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 96.48 -2.8258486 -1.4318593 -12.944667 1 706 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 96.88 -2.0788162 -1.6824783 -11.720076 1 707 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 96.88 -1.8905973 -0.3641215 -10.971272 1 708 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 97.27 -1.4510291 0.63158584 -11.560788 1 709 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 96.48 -0.69901526 -2.3116593 -12.029243 1 710 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 95.7 0.09679765 -2.5348186 -10.748165 1 711 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 95.7 -0.8690643 -3.6189451 -12.799416 1 712 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 97.27 -2.2206874 -0.36395627 -9.682584 1 713 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 97.27 -1.9361386 0.7918944 -8.842096 1 714 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 97.27 -0.45599258 0.7905768 -8.491264 1 715 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 96.88 0.038872473 -0.16265793 -7.8865013 1 716 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 97.27 -2.774536 0.7519623 -7.566306 1 717 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 96.09 -4.2374372 1.1522264 -7.680925 1 718 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 95.31 -4.9776144 0.80237603 -6.3982706 1 719 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 95.7 -4.34813 2.654429 -7.9494686 1 720 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 96.88 0.23624519 1.8429937 -8.877337 1 721 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 96.88 1.679651 1.9344921 -8.672288 1 722 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 96.48 1.9740578 3.0881786 -7.719782 1 723 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 96.88 1.6939527 4.2511587 -8.033234 1 724 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 96.48 2.4249086 2.1540937 -10.006873 1 725 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 95.7 3.924018 2.2559178 -9.760742 1 726 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 96.09 2.104293 1.0239172 -10.983391 1 727 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 97.66 2.5469413 2.7491171 -6.565496 1 728 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 97.66 2.8876505 3.7273946 -5.549036 1 729 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 96.48 4.3947678 3.879794 -5.4628167 1 730 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 94.92 5.1148844 2.8895378 -5.3074336 1 731 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 95.31 2.3382947 3.2894473 -4.19543 1 732 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 96.09 2.7310688 4.203327 -3.0428734 1 733 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 98.44 2.2315602 3.6954591 -1.7094214 1 734 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 95.31 1.7959371 2.5504997 -1.5797932 1 735 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 95.31 2.3031993 4.547882 -0.68237686 1 736 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 97.66 4.867585 5.0945644 -5.587006 1 737 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 97.27 6.2765536 5.3968763 -5.3601675 1 738 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 97.27 6.3849688 6.2466745 -4.1009316 1 739 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 97.27 5.7049317 7.2711997 -3.9754634 1 740 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 96.88 6.9017315 6.138278 -6.5649304 1 741 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 94.14 8.374914 6.42764 -6.2945457 1 742 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 93.36 6.74556 5.3003235 -7.829792 1 743 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 98.05 7.2189794 5.7911034 -3.1634574 1 744 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 97.66 7.5251956 6.5365305 -1.9504349 1 745 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 96.88 8.931461 7.088681 -2.0586095 1 746 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 95.7 9.85758 6.359458 -2.430696 1 747 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 96.48 7.445605 5.6406493 -0.71361125 1 748 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 96.88 6.062758 5.0879974 -0.4249888 1 749 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 98.83 6.0732203 4.121204 0.7385035 1 750 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 96.48 7.1046247 3.5407472 1.0821879 1 751 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 97.27 4.9094763 3.913271 1.358995 1 752 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 97.66 9.106947 8.351832 -1.7172794 1 753 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 96.88 10.423199 8.985439 -1.740432 1 754 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 96.88 10.726009 9.5786295 -0.3753847 1 755 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 97.27 9.865139 10.252366 0.20971334 1 756 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 97.27 10.488003 10.087822 -2.8134856 1 757 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 95.31 10.283864 9.604824 -4.227995 1 758 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 93.75 10.368881 10.76722 -5.204225 1 759 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 93.36 10.128075 10.308884 -6.635085 1 760 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 91.41 10.131004 11.463473 -7.577979 1 761 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 97.66 11.935606 9.356792 0.10791681 1 762 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 97.27 12.383348 9.938255 1.3667587 1 763 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 96.48 13.905734 9.888135 1.4359635 1 764 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 95.7 14.529621 8.908295 1.0129302 1 765 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 96.48 11.755522 9.210957 2.5690532 1 766 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 97.66 12.38031 7.8810673 2.8966656 1 767 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 98.05 13.243542 7.6268063 3.9376802 1 768 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 98.44 12.258495 6.6541905 2.183812 1 769 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 98.44 13.632479 6.3093743 3.9099212 1 770 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 98.44 13.03414 5.6974335 2.8421865 1 771 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 98.05 11.529032 6.2812214 1.0304596 1 772 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 98.05 13.133566 4.3728 2.3968592 1 773 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 98.44 11.617014 4.9663143 0.5980753 1 774 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 98.05 12.405928 4.041689 1.2747445 1 775 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 97.66 14.526595 10.900928 1.9713876 1 776 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 96.88 15.962913 10.949358 2.237571 1 777 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 96.48 16.800613 10.456798 1.0502733 1 778 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 94.92 17.804302 9.763458 1.224117 1 779 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 96.48 16.314457 10.117316 3.48281 1 780 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 94.92 15.706052 10.673695 4.755755 1 781 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 93.75 15.542855 11.916596 4.8420734 1 782 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 94.14 15.413674 9.889519 5.676484 1 783 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 96.48 16.430807 10.819431 -0.15692487 1 784 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 96.88 17.160233 10.425024 -1.3514214 1 785 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 97.27 16.953186 8.986128 -1.7651635 1 786 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 96.09 17.644365 8.516592 -2.6795537 1 787 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 97.27 16.045187 8.277208 -1.1052761 1 788 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 96.88 15.738016 6.8824778 -1.422458 1 789 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 96.88 14.344005 6.7813153 -2.0244374 1 790 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 96.09 13.547411 7.722557 -1.9371549 1 791 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 96.48 15.805414 6.0180693 -0.15291473 1 792 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 96.09 17.103851 6.1268973 0.62739474 1 793 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 96.88 16.97538 5.4244204 1.9733963 1 794 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 95.31 18.113678 5.7945323 2.9084258 1 795 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 94.14 17.898928 5.2045574 4.2543793 1 796 +ATOM N N . SER A0 1 105 . 105 SER A0 N 97.66 14.058901 5.6365 -2.6140594 1 797 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 97.66 12.708846 5.4025555 -3.1082733 1 798 +ATOM C C . SER A0 1 105 . 105 SER A0 C 97.66 12.383213 3.9204211 -3.0822687 1 799 +ATOM O O . SER A0 1 105 . 105 SER A0 O 96.48 13.278963 3.0701332 -3.1361928 1 800 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 95.7 12.524633 5.9645796 -4.520379 1 801 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 93.75 13.241214 5.203762 -5.47453 1 802 +ATOM N N . THR A0 1 106 . 106 THR A0 N 97.27 11.113995 3.6251864 -2.9712443 1 803 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 97.27 10.626055 2.252098 -3.0532126 1 804 +ATOM C C . THR A0 1 106 . 106 THR A0 C 97.27 9.315889 2.2794745 -3.8218148 1 805 +ATOM O O . THR A0 1 106 . 106 THR A0 O 96.88 8.583631 3.2806706 -3.7868457 1 806 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 96.88 10.449985 1.6158183 -1.649076 1 807 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 95.7 10.107898 0.23350884 -1.7785128 1 808 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 96.88 9.363445 2.3279316 -0.8408916 1 809 +ATOM N N . THR A0 1 107 . 107 THR A0 N 97.27 9.018381 1.1856878 -4.529311 1 810 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 96.88 7.7983794 1.1050155 -5.32135 1 811 +ATOM C C . THR A0 1 107 . 107 THR A0 C 96.88 6.9440746 -0.06275125 -4.8432703 1 812 +ATOM O O . THR A0 1 107 . 107 THR A0 O 96.88 7.450388 -1.1643832 -4.6200714 1 813 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 96.48 8.127826 0.9468898 -6.8187504 1 814 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 94.53 8.817274 2.1089435 -7.2684693 1 815 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 95.7 6.845489 0.78760934 -7.6415133 1 816 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 97.66 5.650218 0.19849774 -4.6937246 1 817 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 96.88 4.6797414 -0.81044173 -4.292045 1 818 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 96.48 3.603483 -0.8792861 -5.3740325 1 819 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 96.48 2.9561114 0.13625404 -5.669367 1 820 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 96.88 4.045615 -0.4614741 -2.9306598 1 821 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 96.88 5.122079 -0.34011775 -1.8475653 1 822 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 97.66 2.991197 -1.492246 -2.5525415 1 823 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 94.53 4.665996 0.46154433 -0.63413984 1 824 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 96.88 3.4482968 -2.0606916 -5.9730206 1 825 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 96.48 2.4204345 -2.2600691 -6.9908404 1 826 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 96.48 1.3087127 -3.1394277 -6.4422493 1 827 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 96.48 1.5914633 -4.162213 -5.79475 1 828 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 96.48 3.0179572 -2.9072416 -8.249924 1 829 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 96.09 4.0019145 -2.0178182 -8.983568 1 830 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 95.7 4.545092 -2.7374837 -10.219615 1 831 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 94.53 5.4632053 -1.8181682 -11.020413 1 832 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 92.97 5.987179 -2.5073805 -12.215609 1 833 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 97.66 0.07771914 -2.752203 -6.698249 1 834 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 97.27 -1.0873833 -3.5147865 -6.2619205 1 835 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 96.88 -1.9071219 -3.8694925 -7.483182 1 836 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 96.48 -2.2762313 -2.9832778 -8.270048 1 837 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 96.88 -1.9184778 -2.7004793 -5.265813 1 838 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 96.48 -1.1562107 -2.3412442 -3.9867973 1 839 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 95.31 -1.9880221 -1.4719464 -3.0431247 1 840 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 94.14 -1.3011281 -1.2045537 -1.7687087 1 841 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 94.14 -0.5059887 -0.15371534 -1.5519372 1 842 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 93.75 -0.2790636 0.74168646 -2.5147543 1 843 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 93.36 0.08029742 -0.013685423 -0.3703535 1 844 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 98.05 -2.1934798 -5.150016 -7.669552 1 845 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 97.66 -2.9429126 -5.60207 -8.83556 1 846 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 97.27 -3.9311292 -6.6886797 -8.453299 1 847 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 97.27 -3.7392163 -7.407155 -7.469003 1 848 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 96.88 -1.9946902 -6.1260166 -9.9229965 1 849 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 92.97 -1.2500896 -7.4071884 -9.532758 1 850 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 91.8 -0.40735093 -7.918974 -10.693893 1 851 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 90.23 0.36024728 -9.169058 -10.270881 1 852 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 89.06 1.1251284 -9.736383 -11.397392 1 853 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 97.27 -4.9681115 -6.7983055 -9.250608 1 854 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 96.88 -5.883936 -7.9262505 -9.119594 1 855 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 96.09 -5.3678484 -9.074087 -9.96472 1 856 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 95.31 -5.004786 -8.881033 -11.135675 1 857 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 96.09 -7.2953234 -7.523491 -9.550845 1 858 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 94.53 -8.076331 -6.6925735 -8.538938 1 859 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 93.75 -8.443872 -7.513206 -7.308075 1 860 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 93.75 -8.946388 -8.839472 -7.636566 1 861 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 92.97 -10.196413 -9.115573 -7.9860907 1 862 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 92.19 -11.097732 -8.14813 -8.026375 1 863 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 92.58 -10.526626 -10.36688 -8.282909 1 864 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 96.88 -5.3412056 -10.263341 -9.3600445 1 865 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 96.88 -4.9680243 -11.488689 -10.061588 1 866 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 96.48 -5.911198 -12.578706 -9.566652 1 867 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 96.09 -5.9169245 -12.897021 -8.371957 1 868 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 96.09 -3.5081568 -11.836577 -9.775983 1 869 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 94.14 -3.0527482 -13.150011 -10.385504 1 870 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 94.53 -1.6178111 -13.48088 -10.070482 1 871 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 93.36 -0.7263817 -12.654175 -10.3312845 1 872 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 92.58 -1.3678728 -14.578543 -9.52005 1 873 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 95.7 -6.696764 -13.132535 -10.47541 1 874 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 95.7 -7.7610855 -14.062351 -10.088696 1 875 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 96.09 -8.628147 -13.402236 -9.028771 1 876 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 95.31 -9.079847 -12.270319 -9.229286 1 877 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 95.31 -7.1721926 -15.411717 -9.630857 1 878 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 94.92 -6.4340158 -16.137308 -10.7484665 1 879 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 93.75 -6.7911825 -15.92128 -11.926371 1 880 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 93.36 -5.5087786 -16.918806 -10.454153 1 881 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 96.48 -8.863708 -14.057627 -7.8930273 1 882 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 96.48 -9.649706 -13.456221 -6.818119 1 883 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 96.88 -8.7723675 -12.810686 -5.761115 1 884 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 96.09 -9.245964 -12.514996 -4.6617966 1 885 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 96.48 -10.547067 -14.509869 -6.1569757 1 886 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 95.7 -11.666071 -14.960049 -7.0641394 1 887 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 94.14 -12.3643875 -14.085531 -7.6304793 1 888 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 94.14 -11.853186 -16.183344 -7.2152543 1 889 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 97.27 -7.5193005 -12.562822 -6.086677 1 890 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 97.27 -6.558695 -12.066921 -5.1111355 1 891 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 97.27 -6.1619444 -10.626816 -5.404787 1 892 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 97.27 -6.2949953 -10.137694 -6.539096 1 893 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 97.27 -5.296682 -12.948109 -5.1167603 1 894 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 96.09 -5.576769 -14.411034 -4.8466835 1 895 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 95.7 -4.2851915 -15.231367 -4.809531 1 896 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 93.75 -3.5680032 -15.272333 -6.1503396 1 897 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 91.41 -4.367044 -15.987139 -7.202671 1 898 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 97.66 -5.6753526 -9.974585 -4.3801775 1 899 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 97.66 -5.01101 -8.688611 -4.5103683 1 900 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 97.66 -3.544132 -8.941263 -4.2165375 1 901 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 98.05 -3.193945 -9.339119 -3.1031518 1 902 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 97.27 -5.614158 -7.6692624 -3.5356684 1 903 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 96.09 -5.298231 -6.18403 -3.720345 1 904 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 96.09 -6.2405562 -5.3571253 -2.8566668 1 905 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 96.09 -3.8657713 -5.835847 -3.405352 1 906 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 97.66 -2.6979122 -8.760694 -5.2196517 1 907 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 97.27 -1.2774189 -9.064824 -5.100581 1 908 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 96.88 -0.49673057 -7.7593293 -4.9752135 1 909 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 96.88 -0.65764135 -6.8504653 -5.801807 1 910 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 96.48 -0.7781577 -9.878283 -6.306707 1 911 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 96.09 0.70206213 -10.191322 -6.1636114 1 912 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 96.09 -1.5953946 -11.168702 -6.434869 1 913 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 97.27 0.32090995 -7.6979675 -3.931238 1 914 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 96.88 1.1159856 -6.512307 -3.6394618 1 915 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 96.88 2.5844316 -6.867793 -3.8340027 1 916 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 96.48 3.0978236 -7.7788196 -3.1781883 1 917 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 96.48 0.88373506 -6.0255327 -2.1896868 1 918 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 95.31 1.6621664 -4.741837 -1.9257555 1 919 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 95.31 -0.6064371 -5.821216 -1.9172883 1 920 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 98.05 3.2541041 -6.171249 -4.7458906 1 921 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 98.05 4.6801143 -6.3779626 -4.9757895 1 922 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 98.05 5.431635 -5.1328154 -4.539825 1 923 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 97.66 5.140798 -4.0249314 -5.0036755 1 924 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 97.27 4.961267 -6.6723514 -6.4476585 1 925 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 92.58 6.4329767 -6.9959326 -6.7061396 1 926 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 91.02 6.8046966 -6.9779663 -8.1805725 1 927 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 90.62 7.3003035 -8.011389 -8.68239 1 928 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 90.23 6.609682 -5.929455 -8.82645 1 929 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 97.66 6.377825 -5.319687 -3.6237779 1 930 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 97.27 7.1511736 -4.226597 -3.0501828 1 931 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 97.27 8.602371 -4.379056 -3.4626913 1 932 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 96.48 9.169125 -5.463234 -3.3060791 1 933 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 96.48 7.0728765 -4.258652 -1.5267854 1 934 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 94.53 5.4599657 -4.512234 -0.88043106 1 935 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 97.27 9.208156 -3.3243303 -3.9701154 1 936 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 96.88 10.592495 -3.3751144 -4.424955 1 937 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 96.48 11.398434 -2.2622223 -3.7562494 1 938 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 95.7 10.987 -1.0968747 -3.7707012 1 939 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 96.48 10.690004 -3.2464247 -5.963444 1 940 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 94.53 12.1464 -3.271428 -6.405594 1 941 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 94.53 9.907524 -4.3577905 -6.635771 1 942 +ATOM N N . MET A0 1 123 . 123 MET A0 N 97.27 12.525536 -2.6481905 -3.180997 1 943 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 96.48 13.492935 -1.6967275 -2.6331367 1 944 +ATOM C C . MET A0 1 123 . 123 MET A0 C 94.92 14.866222 -2.1276226 -3.1146946 1 945 +ATOM O O . MET A0 1 123 . 123 MET A0 O 91.02 15.340016 -3.193474 -2.7407446 1 946 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 96.09 13.426659 -1.6824073 -1.1145192 1 947 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 95.7 14.48564 -0.807039 -0.44590873 1 948 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 97.27 14.155869 0.9322018 -0.7634574 1 949 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 95.31 15.631636 1.6805053 -0.06607196 1 950 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 96.88 15.46928 -1.3120399 -3.949448 1 951 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 96.09 16.754742 -1.645534 -4.5649214 1 952 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 94.92 16.66832 -3.0410914 -5.1762924 1 953 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 92.97 15.817361 -3.258841 -6.0499077 1 954 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 95.31 17.885975 -1.4728677 -3.5425034 1 955 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 94.53 17.99975 -0.0082197515 -3.0460293 1 956 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 93.36 19.172302 0.21413593 -2.1080165 1 957 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 92.58 18.77739 0.011263733 -0.681294 1 958 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 91.8 19.85116 0.46174622 0.26657617 1 959 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 96.09 17.475863 -4.007447 -4.7526045 1 960 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 96.48 17.455742 -5.3213 -5.3850894 1 961 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 97.27 16.447021 -6.3063774 -4.8489914 1 962 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 95.7 16.35567 -7.431073 -5.3637714 1 963 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 96.09 15.692806 -5.9280434 -3.8192563 1 964 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 96.48 14.861462 -6.8757176 -3.0813904 1 965 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 96.88 13.392352 -6.720698 -3.4606214 1 966 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 96.09 12.858865 -5.609845 -3.4514523 1 967 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 95.7 15.041948 -6.6897545 -1.5603386 1 968 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 94.92 14.085581 -7.5779476 -0.7851086 1 969 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 95.31 16.484951 -6.977375 -1.1628175 1 970 +ATOM N N . THR A0 1 127 . 127 THR A0 N 96.88 12.748676 -7.8460536 -3.7698846 1 971 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 96.88 11.327437 -7.873606 -4.0947323 1 972 +ATOM C C . THR A0 1 127 . 127 THR A0 C 97.27 10.586009 -8.715906 -3.0689692 1 973 +ATOM O O . THR A0 1 127 . 127 THR A0 O 96.88 10.969018 -9.847411 -2.7817078 1 974 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 96.48 11.087819 -8.44865 -5.5012465 1 975 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 93.75 11.737521 -7.6284146 -6.4681015 1 976 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 94.53 9.5928955 -8.507788 -5.8150325 1 977 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 97.27 9.521604 -8.156998 -2.5326066 1 978 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 97.27 8.619808 -8.837613 -1.6114339 1 979 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 97.27 7.264477 -8.9695835 -2.2864997 1 980 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 96.88 6.827864 -8.0461235 -2.9724355 1 981 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 96.48 8.492995 -8.012321 -0.33062392 1 982 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 94.14 7.155914 -8.504541 0.7646377 1 983 +ATOM N N . THR A0 1 129 . 129 THR A0 N 97.66 6.6006346 -10.118352 -2.1000426 1 984 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 97.27 5.249145 -10.300006 -2.6182127 1 985 +ATOM C C . THR A0 1 129 . 129 THR A0 C 97.66 4.3167505 -10.65056 -1.4642885 1 986 +ATOM O O . THR A0 1 129 . 129 THR A0 O 97.27 4.6052437 -11.569505 -0.6843032 1 987 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 96.88 5.2023363 -11.406254 -3.683179 1 988 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 95.31 6.0792217 -11.0645075 -4.7553062 1 989 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 96.48 3.7819605 -11.55918 -4.2283487 1 990 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 97.66 3.2007961 -9.943291 -1.3891203 1 991 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 97.27 2.1944036 -10.185135 -0.35847092 1 992 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 97.27 0.84432214 -10.369677 -1.0322928 1 993 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 96.88 0.46975404 -9.579401 -1.9193969 1 994 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 96.88 2.168313 -9.0461235 0.66222763 1 995 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 96.48 3.3953583 -9.108245 1.5755169 1 996 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 96.48 3.7007427 -7.8353624 2.293137 1 997 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 96.09 2.7522569 -7.4438524 3.3384418 1 998 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 96.09 2.7331762 -7.936366 4.581975 1 999 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 95.7 3.5807092 -8.895386 4.94417 1 1000 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 94.92 1.853725 -7.462922 5.449516 1 1001 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 97.66 0.15875977 -11.430664 -0.64675677 1 1002 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 97.66 -1.0790269 -11.819151 -1.3054373 1 1003 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 97.27 -2.2480047 -11.695588 -0.34465808 1 1004 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 97.27 -2.1957355 -12.199604 0.7838385 1 1005 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 96.88 -0.99499774 -13.2633095 -1.85416 1 1006 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 96.09 -2.298233 -13.663322 -2.5153794 1 1007 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 96.09 0.16719711 -13.389275 -2.8368883 1 1008 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 98.05 -3.2878385 -11.0339 -0.8194609 1 1009 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 97.27 -4.5151796 -10.836674 -0.057252035 1 1010 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 96.48 -5.678543 -11.520111 -0.75896263 1 1011 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 95.7 -5.7340503 -11.583122 -1.9887121 1 1012 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 96.48 -4.833457 -9.338613 0.06313269 1 1013 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 97.27 -3.9099119 -8.568048 0.96811795 1 1014 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 98.05 -2.6215749 -8.209407 0.5641059 1 1015 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 97.66 -4.3113174 -8.19011 2.2436528 1 1016 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 98.05 -1.77559 -7.5096865 1.4027696 1 1017 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 97.66 -3.4777045 -7.4809074 3.0905442 1 1018 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 98.05 -2.2119703 -7.1458073 2.6590965 1 1019 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 97.66 -1.3748245 -6.4561925 3.4875126 1 1020 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 98.05 -6.618582 -12.02726 0.027750425 1 1021 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 97.66 -7.883271 -12.557532 -0.4745961 1 1022 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 97.27 -9.030479 -11.807564 0.17595309 1 1023 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 96.88 -8.862612 -11.175883 1.214628 1 1024 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 97.27 -7.981785 -14.056078 -0.20168264 1 1025 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 95.31 -6.9971285 -14.867094 -1.0249946 1 1026 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 96.09 -7.020273 -16.352474 -0.7295454 1 1027 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 94.53 -6.267756 -17.090689 -1.3944522 1 1028 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 94.92 -7.783462 -16.781559 0.16803727 1 1029 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 98.05 -10.200029 -11.895155 -0.43708494 1 1030 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 97.27 -11.348271 -11.177462 0.11358705 1 1031 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 95.7 -11.693224 -11.709346 1.4945878 1 1032 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 93.75 -11.690388 -12.919252 1.7274399 1 1033 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 96.88 -12.553998 -11.287627 -0.82392323 1 1034 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 95.7 -12.3550005 -10.453932 -2.0831144 1 1035 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 94.92 -13.6668625 -10.108059 -2.7686577 1 1036 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 95.31 -13.424744 -9.350815 -4.0019197 1 1037 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 94.92 -13.327623 -8.020665 -4.0618024 1 1038 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 94.14 -13.0938835 -7.4337845 -5.2309237 1 1039 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 93.75 -13.459417 -7.2774863 -2.9626734 1 1040 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 96.88 -11.951893 -10.793079 2.4184544 1 1041 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 96.48 -12.2699795 -11.152253 3.783429 1 1042 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 95.7 -13.743286 -11.506947 3.8992233 1 1043 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 94.92 -14.518297 -11.350069 2.9647443 1 1044 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 96.09 -11.912285 -10.006557 4.7382174 1 1045 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 94.14 -14.143408 -12.015538 4.9589796 1 1046 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 92.97 -1.5935454 2.415856 3.6715922 1 1047 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 92.97 -0.52843827 2.688423 4.666994 1 1048 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 93.75 -2.889577 1.6283505 4.4773493 1 1049 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 93.75 -0.9197433 1.344904 2.4557154 1 1050 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 92.58 0.91513956 4.3828745 12.319466 1 1051 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 92.58 -0.08561255 3.7869353 13.234819 1 1052 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 93.36 2.5097313 3.979379 12.858656 1 1053 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 93.36 0.67373043 6.075528 12.27186 1 1054 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 93.36 -14.272965 -9.508163 -8.416534 1 1055 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 92.58 -13.812134 -8.638166 -9.523667 1 1056 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 93.75 -14.01025 -11.15516 -8.847199 1 1057 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 93.75 -15.921317 -9.169683 -8.096514 1 1058 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 97.27 2.4678898 -3.1381292 5.9440117 1 1059 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 97.66 3.6317291 -2.4852881 5.420332 1 1060 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 96.88 3.8482418 -2.4235396 4.0943084 1 1061 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 96.88 3.008001 -2.9767644 3.204618 1 1062 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 96.88 1.853931 -3.669529 3.6646395 1 1063 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 96.88 1.6071945 -3.7303991 5.026127 1 1064 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 95.7 6.830688 -1.4917235 6.767188 1 1065 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 96.09 0.89413786 -4.328343 2.7196705 1 1066 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 96.48 2.171258 -3.2008219 7.3744907 1 1067 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 96.09 2.657413 -4.243292 8.141087 1 1068 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 96.09 2.3394294 -4.313096 9.511623 1 1069 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 96.09 1.4884838 -3.3596106 10.091733 1 1070 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 95.7 0.98633075 -2.3151183 9.289031 1 1071 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 95.7 1.312716 -2.2484303 7.9332767 1 1072 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 96.88 4.5287 -1.9394922 6.2352877 1 1073 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 96.09 3.3729877 -2.8771968 1.7300768 1 1074 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 95.7 3.4079819 -4.0586395 1.1864355 1 1075 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 95.7 2.4950142 -2.1146955 1.1138663 1 1076 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 95.7 4.565245 -2.347519 1.5938559 1 1077 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 96.48 5.815379 -1.5421485 5.667384 1 1078 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 96.09 6.919857 -2.657065 7.3494315 1 1079 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 95.7 6.448933 -0.61309135 7.662304 1 1080 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 95.7 8.00334 -1.1493279 6.278392 1 1081 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 96.09 0.04443615 -3.6333044 2.1428518 1 1082 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 96.48 0.9868909 -5.574004 2.597807 1 1083 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..82cd62e76a13a6af7c4f12cf827ab6cc4d68be66 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_3_postprocessed.cif @@ -0,0 +1,1410 @@ +data_7fwf-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 0 -20.579405 7.039771 -11.654847 1 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 0 -20.244576 6.0084734 -12.632996 1 2 1 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 0 -19.13649 5.0929546 -12.145668 1 3 1 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 0 -18.472544 5.3816833 -11.140191 1 4 1 +ATOM N N . SER A0 1 2 . 2 SER A0 N 0 -18.938953 3.9894214 -12.84528 1 5 1 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 0 -17.911324 3.021096 -12.500704 1 6 1 +ATOM C C . SER A0 1 2 . 2 SER A0 C 0 -16.5232 3.5633292 -12.822399 1 7 1 +ATOM O O . SER A0 1 2 . 2 SER A0 O 0 -16.365046 4.4358172 -13.692432 1 8 1 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 0 -18.142776 1.7090187 -13.24597 1 9 1 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 0 -19.384474 1.1220298 -12.897408 1 10 1 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 0 -15.540715 3.043628 -12.129635 1 11 1 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 0 -14.145753 3.392584 -12.362513 1 12 1 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 0 -13.326869 2.1138995 -12.411545 1 13 1 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 0 -13.711983 1.0910861 -11.840211 1 14 1 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 0 -13.615814 4.3091583 -11.25156 1 15 1 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 0 -14.320578 5.621274 -11.1658 1 16 1 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 0 -15.49752 5.7882767 -10.482877 1 17 1 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 0 -14.00651 6.82866 -11.673725 1 18 1 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 0 -15.891575 7.0413027 -10.582282 1 19 1 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 0 -14.992376 7.699247 -11.296728 1 20 1 +ATOM N N . MET A0 1 4 . 4 MET A0 N 0 -12.190993 2.1722276 -13.0691185 1 21 1 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 0 -11.30528 1.0116538 -13.131744 1 22 1 +ATOM C C . MET A0 1 4 . 4 MET A0 C 0 -10.86034 0.5895538 -11.723196 1 23 1 +ATOM O O . MET A0 1 4 . 4 MET A0 O 0 -10.690707 -0.6057612 -11.468597 1 24 1 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 0 -10.094202 1.3172089 -14.016634 1 25 1 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 0 -9.125261 0.15098727 -14.168269 1 26 1 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 0 -7.967998 0.3987956 -15.538521 1 27 1 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 0 -9.020719 0.079936445 -16.931961 1 28 1 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 0 -10.698946 1.5378822 -10.818264 1 29 1 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 0 -10.2981205 1.2218251 -9.454228 1 30 1 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 0 -11.350351 0.43985644 -8.67345 1 31 1 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 0 -11.050844 -0.07064119 -7.593987 1 32 1 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 0 -9.938907 2.4982605 -8.694147 1 33 1 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 0 -8.268665 3.0630465 -9.040548 1 34 1 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 0 -12.555762 0.29528335 -9.21416 1 35 1 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 0 -13.594637 -0.4839636 -8.541237 1 36 1 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 0 -13.1542425 -1.920012 -8.2689085 1 37 1 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 0 -13.616652 -2.5317621 -7.305087 1 38 1 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 0 -14.878979 -0.50412834 -9.369858 1 39 1 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 0 -15.568462 0.8449049 -9.426245 1 40 1 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 0 -15.142863 1.7865672 -8.716752 1 41 1 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 0 -16.556606 0.9682991 -10.183069 1 42 1 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 0 -12.27672 -2.4809017 -9.111666 1 43 1 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 0 -11.827703 -3.8602757 -8.93627 1 44 1 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 0 -11.00795 -4.0562468 -7.6645203 1 45 1 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 0 -10.8526945 -5.1884174 -7.2030497 1 46 1 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 0 -11.014343 -4.3145237 -10.144949 1 47 1 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 0 -10.479057 -2.9852862 -7.104026 1 48 1 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 0 -9.699265 -3.0497937 -5.868662 1 49 1 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 0 -10.563515 -2.8659515 -4.6238794 1 50 1 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 0 -10.115497 -3.1738741 -3.5166578 1 51 1 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 0 -8.608755 -1.9716899 -5.871869 1 52 1 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 0 -7.558962 -2.1694937 -6.933511 1 53 1 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 0 -7.633465 -1.4914072 -8.139524 1 54 1 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 0 -6.500763 -3.0325072 -6.7159214 1 55 1 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 0 -6.662599 -1.6750257 -9.122252 1 56 1 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 0 -5.5271845 -3.2189183 -7.689496 1 57 1 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 0 -5.6153708 -2.5379076 -8.895092 1 58 1 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 0 -11.77939 -2.376419 -4.781892 1 59 1 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 0 -12.603542 -1.976614 -3.6434093 1 60 1 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 0 -13.059707 -3.1990209 -2.8611455 1 61 1 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 0 -13.50679 -4.190563 -3.4424686 1 62 1 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 0 -13.811517 -1.1368208 -4.1202183 1 63 1 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 0 -14.802319 -0.91542095 -2.987379 1 64 1 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 0 -13.320544 0.20018631 -4.68569 1 65 1 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 0 -12.97038 -3.1150584 -1.5470004 1 66 1 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 0 -13.449549 -4.169137 -0.6689825 1 67 1 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 0 -12.552593 -4.345145 0.53515744 1 68 1 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 0 -11.6837 -3.5145555 0.8120845 1 69 1 +ATOM N N . THR A0 1 11 . 11 THR A0 N 0 -12.786121 -5.422935 1.2567959 1 70 1 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 0 -12.001763 -5.764373 2.4348989 1 71 1 +ATOM C C . THR A0 1 11 . 11 THR A0 C 0 -11.178156 -6.9993753 2.1170707 1 72 1 +ATOM O O . THR A0 1 11 . 11 THR A0 O 0 -11.714003 -8.010927 1.6458769 1 73 1 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 0 -12.9033375 -6.0101194 3.655301 1 74 1 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 0 -13.665556 -4.820975 3.9016576 1 75 1 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 0 -12.064615 -6.3377953 4.895628 1 76 1 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 0 -9.8942585 -6.9276505 2.350368 1 77 1 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 0 -8.929851 -7.9432316 1.9654096 1 78 1 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 0 -8.148955 -8.39477 3.191747 1 79 1 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 0 -7.853016 -7.586248 4.0799904 1 80 1 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 0 -7.9563723 -7.388157 0.91621125 1 81 1 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 0 -8.613144 -6.860306 -0.31856173 1 82 1 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 0 -9.045752 -5.581345 -0.5297413 1 83 1 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 0 -8.902751 -7.580101 -1.5046501 1 84 1 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 0 -9.584007 -5.466464 -1.7832184 1 85 1 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 0 -9.512744 -6.6810646 -2.410764 1 86 1 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 0 -8.704449 -8.9049425 -1.9047674 1 87 1 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 0 -9.91975 -7.06712 -3.6835713 1 88 1 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 0 -9.108246 -9.289291 -3.1677442 1 89 1 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 0 -9.711782 -8.374584 -4.044385 1 90 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 -7.8161526 -9.689422 3.2312827 1 91 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 -7.0245833 -10.224159 4.334754 1 92 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 -5.734911 -10.823989 3.7908053 1 93 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 -5.732561 -11.507198 2.7716942 1 94 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 -7.8222446 -11.274328 5.122208 1 95 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 -8.216454 -12.499723 4.3167515 1 96 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 -9.020201 -13.468536 5.182066 1 97 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 -9.461622 -14.672611 4.3639956 1 98 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 -10.251788 -15.623821 5.178771 1 99 1 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 0 -4.6371164 -10.578846 4.506672 1 100 1 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 0 -3.3444118 -11.131623 4.1060476 1 101 1 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 0 -3.3351479 -12.646874 4.294813 1 102 1 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 0 -3.6718922 -13.142062 5.3728247 1 103 1 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 0 -2.219018 -10.510586 4.9347706 1 104 1 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 0 -0.8076282 -10.952557 4.5419116 1 105 1 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 0 0.17296267 -10.646344 5.668618 1 106 1 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 0 -0.38318625 -10.27061 3.2531037 1 107 1 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 0 -2.9560912 -13.377022 3.236731 1 108 1 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 0 -2.8634653 -14.8321295 3.33823 1 109 1 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 0 -1.4610381 -15.369481 3.0881147 1 110 1 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 0 -1.1775842 -16.505512 3.477083 1 111 1 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 0 -3.8756437 -15.54427 2.408368 1 112 1 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 0 -5.3093066 -15.194685 2.8266845 1 113 1 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 0 -3.6326418 -15.177975 0.95708394 1 114 1 +ATOM N N . SER A0 1 16 . 16 SER A0 N 0 -0.59806937 -14.606728 2.4577327 1 115 1 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 0 0.7807758 -15.053402 2.2951856 1 116 1 +ATOM C C . SER A0 1 16 . 16 SER A0 C 0 1.7199459 -13.865906 2.1305423 1 117 1 +ATOM O O . SER A0 1 16 . 16 SER A0 O 0 1.3062675 -12.78577 1.6908545 1 118 1 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 0 0.92288375 -16.010876 1.1092124 1 119 1 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 0 0.74625194 -15.341296 -0.120264724 1 120 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 2.9597116 -14.096559 2.5018194 1 121 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 3.9774103 -13.060331 2.4346757 1 122 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 5.322112 -13.708589 2.1417842 1 123 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 5.697522 -14.674246 2.8096452 1 124 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 4.025666 -12.289898 3.751989 1 125 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 4.956834 -11.232342 3.6987238 1 126 1 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 0 6.0097885 -13.227802 1.1274897 1 127 1 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 0 7.3202868 -13.745723 0.74267054 1 128 1 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 0 8.337479 -12.613026 0.7744032 1 129 1 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 0 8.117755 -11.556135 0.16742562 1 130 1 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 0 7.2792954 -14.332703 -0.67506975 1 131 1 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 0 6.3403773 -15.517155 -0.8267607 1 132 1 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 0 6.112564 -15.920553 -2.2784872 1 133 1 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 0 5.527321 -17.006683 -2.5045884 1 134 1 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 0 6.5040627 -15.170083 -3.1975741 1 135 1 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 0 9.444494 -12.809355 1.4976869 1 136 1 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 0 10.584057 -11.89949 1.5596875 1 137 1 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 0 10.283491 -10.566418 2.2441232 1 138 1 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 0 11.011732 -9.5912 2.0487576 1 139 1 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 0 11.151208 -11.640348 0.15985225 1 140 1 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 0 11.735907 -12.87359 -0.46617067 1 141 1 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 0 12.231867 -13.753086 0.22768256 1 142 1 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 0 11.683992 -12.933807 -1.7945054 1 143 1 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 0 9.236782 -10.478912 3.0678809 1 144 1 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 0 8.897407 -9.214977 3.7125754 1 145 1 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 0 9.989347 -8.766407 4.6821985 1 146 1 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 0 10.290002 -7.5708013 4.762612 1 147 1 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 0 7.5400925 -9.324164 4.407552 1 148 1 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 0 6.9853563 -8.011532 4.897789 1 149 1 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 0 6.583068 -7.872443 6.21842 1 150 1 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 0 6.8410034 -6.936625 4.0398574 1 151 1 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 0 6.044367 -6.676529 6.679291 1 152 1 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 0 6.3087006 -5.736973 4.4919744 1 153 1 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 0 5.908043 -5.605951 5.812006 1 154 1 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 0 10.596876 -9.711546 5.4039917 1 155 1 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 0 11.674834 -9.3462105 6.315074 1 156 1 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 0 12.865785 -8.747614 5.5614195 1 157 1 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 0 13.426315 -7.733577 5.982305 1 158 1 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 0 12.124053 -10.556856 7.140106 1 159 1 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 0 13.141046 -10.179002 8.202142 1 160 1 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 0 12.745654 -9.501112 9.181043 1 161 1 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 0 14.333689 -10.525454 8.063317 1 162 1 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 0 13.252342 -9.359144 4.4405713 1 163 1 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 0 14.345148 -8.828735 3.6267853 1 164 1 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 0 14.00241 -7.440691 3.081356 1 165 1 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 0 14.860183 -6.5510335 3.0405042 1 166 1 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 0 14.662451 -9.779669 2.469825 1 167 1 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 0 15.377552 -11.042904 2.910101 1 168 1 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 0 15.967075 -11.057915 4.0086913 1 169 1 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 0 15.350853 -12.022863 2.1372857 1 170 1 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 0 12.770258 -7.2665596 2.650196 1 171 1 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 0 12.326479 -5.9585943 2.170866 1 172 1 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 0 12.429246 -4.911732 3.2783813 1 173 1 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 0 12.961284 -3.8092432 3.0645938 1 174 1 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 0 10.886629 -6.0597153 1.6448033 1 175 1 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 0 10.280197 -4.729145 1.238163 1 176 1 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 0 9.29166 -4.1351476 2.018328 1 177 1 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 0 10.686481 -4.0813584 0.08396509 1 178 1 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 0 8.727541 -2.922405 1.6545151 1 179 1 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 0 10.125891 -2.8651419 -0.2894313 1 180 1 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 0 9.149479 -2.2966566 0.50170255 1 181 1 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 0 8.593723 -1.0987759 0.13390425 1 182 1 +ATOM N N . MET A0 1 24 . 24 MET A0 N 0 11.938155 -5.255582 4.481286 1 183 1 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 0 12.025472 -4.325453 5.595519 1 184 1 +ATOM C C . MET A0 1 24 . 24 MET A0 C 0 13.476492 -3.9980853 5.938096 1 185 1 +ATOM O O . MET A0 1 24 . 24 MET A0 O 0 13.794241 -2.8423202 6.2358274 1 186 1 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 0 11.299352 -4.892598 6.8235416 1 187 1 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 0 9.784861 -4.8999887 6.675709 1 188 1 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 0 8.954953 -5.3315544 8.2399 1 189 1 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 0 9.404043 -7.067833 8.383434 1 190 1 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 0 14.363306 -5.0014997 5.908903 1 191 1 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 0 15.783424 -4.7427306 6.14539 1 192 1 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 0 16.322594 -3.7239861 5.1554995 1 193 1 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 0 17.059208 -2.8111715 5.519346 1 194 1 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 0 16.608177 -6.0288153 6.0209117 1 195 1 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 0 16.514078 -6.9848785 7.182195 1 196 1 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 0 17.46715 -8.156485 6.9576793 1 197 1 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 0 17.264473 -9.268051 7.9748173 1 198 1 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 0 18.161457 -10.41918 7.705017 1 199 1 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 0 15.965784 -3.888476 3.8884983 1 200 1 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 0 16.46701 -3.0003242 2.856908 1 201 1 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 0 15.932449 -1.5787375 3.036392 1 202 1 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 0 16.610426 -0.60941887 2.6723514 1 203 1 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 0 16.109665 -3.5445166 1.4744275 1 204 1 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 0 17.052675 -3.1041584 0.37042466 1 205 1 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 0 18.458836 -3.6489062 0.5344194 1 206 1 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 0 18.658089 -4.6507106 1.256651 1 207 1 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 0 19.374767 -3.0574982 -0.07453939 1 208 1 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 0 14.737043 -1.4592737 3.600321 1 209 1 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 0 14.181049 -0.14349848 3.9283438 1 210 1 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 0 14.887959 0.5117957 5.1183367 1 211 1 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 0 14.70474 1.7112855 5.355357 1 212 1 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 0 12.689066 -0.25575393 4.2591534 1 213 1 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 0 11.700537 -0.49806285 3.1161528 1 214 1 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 0 10.293249 -0.67306477 3.693701 1 215 1 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 0 11.717623 0.65182793 2.1220422 1 216 1 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 0 15.671029 -0.2735561 5.8754354 1 217 1 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 0 16.32182 0.21798638 7.0849395 1 218 1 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 0 15.523929 0.0095309 8.353186 1 219 1 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 0 15.823774 0.63381565 9.374447 1 220 1 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 0 14.53419 -0.87105227 8.31654 1 221 1 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 0 13.678581 -1.1196837 9.475205 1 222 1 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 0 14.463579 -1.8833942 10.541534 1 223 1 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 0 15.138205 -2.8731246 10.238013 1 224 1 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 0 12.413069 -1.9048306 9.06229 1 225 1 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 0 11.538429 -2.1917195 10.274548 1 226 1 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 0 11.6218405 -1.1252103 7.9999137 1 227 1 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 0 14.385391 -1.4143368 11.788834 1 228 1 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 0 15.097139 -2.0529928 12.8823395 1 229 1 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 0 14.48244 -3.379024 13.297739 1 230 1 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 0 13.37941 -3.7413867 12.894997 1 231 1 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 0 15.221464 -4.1053123 14.123634 1 232 1 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 0 14.848221 -5.4726467 14.508255 1 233 1 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 0 13.437637 -5.568536 15.09979 1 234 1 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 0 12.625151 -6.3870173 14.66063 1 235 1 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 0 15.872282 -6.0256414 15.501591 1 236 1 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 0 15.521081 -7.388729 16.027794 1 237 1 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 0 14.812682 -7.529956 17.207893 1 238 1 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 0 15.900787 -8.521925 15.342897 1 239 1 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 0 14.488684 -8.785448 17.700087 1 240 1 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 0 15.581473 -9.780796 15.822309 1 241 1 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 0 14.87344 -9.90919 17.001738 1 242 1 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 0 13.155389 -4.743806 16.11104 1 243 1 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 0 11.878588 -4.864662 16.808556 1 244 1 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 0 10.6957035 -4.601268 15.871821 1 245 1 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 0 9.694634 -5.318321 15.90764 1 246 1 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 0 11.833614 -3.9121633 18.001469 1 247 1 +ATOM N N . THR A0 1 33 . 33 THR A0 N 0 10.845626 -3.5921023 15.033764 1 248 1 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 0 9.761942 -3.276164 14.102699 1 249 1 +ATOM C C . THR A0 1 33 . 33 THR A0 C 0 9.619654 -4.3554006 13.032171 1 250 1 +ATOM O O . THR A0 1 33 . 33 THR A0 O 0 8.4966545 -4.6860714 12.631798 1 251 1 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 0 9.981546 -1.8857484 13.473984 1 252 1 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 0 10.022497 -0.9075716 14.509836 1 253 1 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 0 8.845848 -1.5435812 12.496811 1 254 1 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 0 10.746381 -4.931975 12.56167 1 255 1 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 0 10.636724 -6.041401 11.61002 1 256 1 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 0 9.885542 -7.221362 12.218303 1 257 1 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 0 9.056364 -7.8429775 11.542887 1 258 1 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 0 12.017292 -6.512854 11.14299 1 259 1 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 0 12.7199135 -5.558727 10.20793 1 260 1 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 0 13.7976265 -6.266177 9.389862 1 261 1 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 0 14.70016 -7.1145425 10.149517 1 262 1 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 0 15.750526 -6.6843195 10.8464575 1 263 1 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 0 16.031853 -5.383583 10.896053 1 264 1 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 0 16.520077 -7.5599737 11.488724 1 265 1 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 0 10.205168 -7.5468025 13.484268 1 266 1 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 0 9.514406 -8.6703205 14.125878 1 267 1 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 0 8.024902 -8.376391 14.27343 1 268 1 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 0 7.1833735 -9.237 13.967979 1 269 1 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 0 10.13216 -8.972217 15.491863 1 270 1 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 0 11.569787 -9.483007 15.414278 1 271 1 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 0 11.65608 -10.758614 14.5714 1 272 1 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 0 13.099396 -11.182813 14.429052 1 273 1 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 0 13.227031 -12.340339 13.530839 1 274 1 +ATOM N N . MET A0 1 36 . 36 MET A0 N 0 7.6881146 -7.168947 14.722191 1 275 1 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 0 6.287065 -6.7885017 14.868351 1 276 1 +ATOM C C . MET A0 1 36 . 36 MET A0 C 0 5.5687017 -6.789247 13.513147 1 277 1 +ATOM O O . MET A0 1 36 . 36 MET A0 O 0 4.453098 -7.3131485 13.389805 1 278 1 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 0 6.195939 -5.401924 15.526279 1 279 1 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 0 4.770009 -4.8880234 15.727649 1 280 1 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 0 4.73559 -3.3450565 16.647663 1 281 1 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 0 5.185581 -2.2084994 15.375743 1 282 1 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 0 6.2213955 -6.193454 12.507265 1 283 1 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 0 5.622258 -6.131974 11.1835165 1 284 1 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 0 5.483151 -7.502014 10.543728 1 285 1 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 0 4.484 -7.788328 9.880961 1 286 1 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 0 6.479277 -8.363542 10.734653 1 287 1 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 0 6.446871 -9.690875 10.13476 1 288 1 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 0 5.3713207 -10.588658 10.7128935 1 289 1 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 0 4.830783 -11.450317 10.009663 1 290 1 +ATOM N N . MET A0 1 39 . 39 MET A0 N 0 5.0643034 -10.403898 11.981774 1 291 1 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 0 4.035446 -11.21987 12.638438 1 292 1 +ATOM C C . MET A0 1 39 . 39 MET A0 C 0 2.6251109 -10.806486 12.24301 1 293 1 +ATOM O O . MET A0 1 39 . 39 MET A0 O 0 1.7026222 -11.62135 12.324973 1 294 1 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 0 4.1456146 -11.099256 14.161563 1 295 1 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 0 5.347608 -11.774673 14.759037 1 296 1 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 0 5.410024 -11.512712 16.541399 1 297 1 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 0 3.8845901 -12.307245 17.042835 1 298 1 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 0 2.4640684 -9.568523 11.851402 1 299 1 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 0 1.1278095 -9.046448 11.612135 1 300 1 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 0 0.4718729 -9.713942 10.402371 1 301 1 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 0 1.119256 -9.994989 9.393868 1 302 1 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 0 1.1759791 -7.5332804 11.404022 1 303 1 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 0 -0.81028515 -9.97332 10.523035 1 304 1 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 0 -1.6487284 -10.426101 9.409812 1 305 1 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 0 -2.7315135 -9.363789 9.202553 1 306 1 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 0 -3.8751779 -9.5401945 9.616038 1 307 1 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 0 -2.277584 -11.787154 9.72039 1 308 1 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 0 -1.2913601 -12.922657 9.781157 1 309 1 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 0 -0.6839224 -13.213681 8.424395 1 310 1 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 0 -0.4670821 -14.6824045 8.193441 1 311 1 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 0 0.4960994 -15.259548 9.155837 1 312 1 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 0 -2.356594 -8.257177 8.5697 1 313 1 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 0 -3.2955492 -7.1402392 8.487072 1 314 1 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 0 -4.4603963 -7.44071 7.568527 1 315 1 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 0 -4.3746243 -8.32318 6.7074485 1 316 1 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 0 -2.4660368 -5.9970727 7.8906918 1 317 1 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 0 -1.0815425 -6.510373 7.6890316 1 318 1 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 0 -1.0862725 -7.977511 7.900493 1 319 1 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 0 -5.539238 -6.692479 7.732978 1 320 1 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 0 -6.468298 -6.6113505 6.6305075 1 321 1 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 0 -6.366496 -5.241832 5.9962 1 322 1 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 0 -5.7850113 -4.301362 6.5543404 1 323 1 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 0 -7.8957906 -7.0000935 7.0151625 1 324 1 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 0 -8.651146 -5.941855 7.788948 1 325 1 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 0 -8.153405 -4.848941 8.036709 1 326 1 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 0 -9.884472 -6.272058 8.140394 1 327 1 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 0 -6.861101 -5.1594777 4.7843165 1 328 1 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 0 -6.75046 -3.9510274 3.9808598 1 329 1 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 0 -8.132801 -3.6114793 3.455421 1 330 1 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 0 -8.788703 -4.457324 2.8453028 1 331 1 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 0 -5.779002 -4.2015696 2.832174 1 332 1 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 0 -5.622072 -2.8548944 1.6775689 1 333 1 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 0 -8.580091 -2.3948274 3.721234 1 334 1 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 0 -9.874859 -1.9283582 3.2373562 1 335 1 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 0 -9.635582 -0.83739364 2.2061257 1 336 1 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 0 -8.980735 0.16242719 2.5067868 1 337 1 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 0 -10.752512 -1.3891647 4.3809476 1 338 1 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 0 -10.953859 -2.4658551 5.4568887 1 339 1 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 0 -12.106512 -0.9292787 3.8479648 1 340 1 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 0 -10.057451 -2.2683992 6.6670504 1 341 1 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 0 -10.159834 -1.0530045 0.9908905 1 342 1 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 0 -9.983519 -0.079705104 -0.07981129 1 343 1 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 0 -11.35312 0.44868186 -0.48876262 1 344 1 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 0 -12.277856 -0.3365491 -0.72546816 1 345 1 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 0 -9.253466 -0.6997309 -1.2922177 1 346 1 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 0 -7.8688335 -1.1920936 -0.87147903 1 347 1 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 0 -9.149227 0.3170275 -2.4373384 1 348 1 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 0 -7.085301 -1.8897827 -1.9744339 1 349 1 +ATOM N N . SER A0 1 47 . 47 SER A0 N 0 -11.475461 1.7517886 -0.56708413 1 350 1 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 0 -12.72881 2.3805227 -0.9611938 1 351 1 +ATOM C C . SER A0 1 47 . 47 SER A0 C 0 -12.455537 3.5557356 -1.8866966 1 352 1 +ATOM O O . SER A0 1 47 . 47 SER A0 O 0 -11.3376875 4.0765676 -1.9505293 1 353 1 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 0 -13.526615 2.8335948 0.2709339 1 354 1 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 0 -12.781044 3.7352014 1.0615289 1 355 1 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 0 -13.481594 3.9505186 -2.609123 1 356 1 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 0 -13.395895 5.0814576 -3.526205 1 357 1 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 0 -14.6002035 5.98801 -3.314475 1 358 1 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 0 -15.730458 5.5011997 -3.1852055 1 359 1 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 0 -13.347488 4.616688 -4.9982777 1 360 1 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 0 -13.299641 5.810026 -5.9394765 1 361 1 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 0 -12.149662 3.7083998 -5.231097 1 362 1 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 0 -14.357285 7.273758 -3.2648687 1 363 1 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 0 -15.411789 8.282948 -3.1829395 1 364 1 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 0 -15.026667 9.370716 -4.169942 1 365 1 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 0 -14.117718 10.155626 -3.9078681 1 366 1 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 0 -15.505866 8.819076 -1.7579775 1 367 1 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 0 -16.689196 9.7283 -1.5426583 1 368 1 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 0 -16.899937 10.67215 -2.291573 1 369 1 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 0 -17.438599 9.455219 -0.47118068 1 370 1 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 0 -15.713485 9.416574 -5.3164635 1 371 1 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 0 -15.321955 10.352379 -6.3631477 1 372 1 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 0 -13.915749 10.056482 -6.848337 1 373 1 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 0 -13.617724 8.918882 -7.238743 1 374 1 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 0 -13.056562 11.0454 -6.782463 1 375 1 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 0 -11.667378 10.8903265 -7.1964693 1 376 1 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 0 -10.761186 10.38794 -6.081203 1 377 1 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 0 -9.5954685 10.092648 -6.3358083 1 378 1 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 0 -11.109021 12.222719 -7.700732 1 379 1 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 0 -11.775927 12.71125 -8.963905 1 380 1 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 0 -12.075005 11.872514 -9.838369 1 381 1 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 0 -11.97727 13.934388 -9.084268 1 382 1 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 0 -11.284809 10.28861 -4.850708 1 383 1 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 0 -10.452386 9.990511 -3.6915774 1 384 1 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 0 -10.482638 8.49689 -3.3969035 1 385 1 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 0 -11.5432 7.927471 -3.1147013 1 386 1 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 0 -10.904493 10.781948 -2.4538362 1 387 1 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 0 -10.036545 10.432154 -1.2490304 1 388 1 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 0 -10.85504 12.278652 -2.7326522 1 389 1 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 0 -9.309465 7.877408 -3.454583 1 390 1 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 0 -9.137684 6.4816427 -3.0954938 1 391 1 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 0 -8.572906 6.429575 -1.6832746 1 392 1 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 0 -7.641843 7.1629915 -1.3612108 1 393 1 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 0 -8.181297 5.770868 -4.0754204 1 394 1 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 0 -8.69017 5.907428 -5.5095453 1 395 1 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 0 -8.002792 4.3060822 -3.6863024 1 396 1 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 0 -7.6546917 5.5380664 -6.5632267 1 397 1 +ATOM N N . THR A0 1 54 . 54 THR A0 N 0 -9.136188 5.5471635 -0.84730226 1 398 1 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 0 -8.636638 5.3611383 0.5057832 1 399 1 +ATOM C C . THR A0 1 54 . 54 THR A0 C 0 -8.1858425 3.9186587 0.67729795 1 400 1 +ATOM O O . THR A0 1 54 . 54 THR A0 O 0 -8.909857 2.989828 0.29811436 1 401 1 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 0 -9.713053 5.705367 1.5489563 1 402 1 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 0 -10.0920105 7.076502 1.3945172 1 403 1 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 0 -9.195221 5.4798236 2.9716592 1 404 1 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 0 -6.9794416 3.7340329 1.226424 1 405 1 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 0 -6.488489 2.4140172 1.5796916 1 406 1 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 0 -6.1879086 2.4189713 3.0685213 1 407 1 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 0 -5.353691 3.1986623 3.5371525 1 408 1 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 0 -5.221711 2.0165675 0.7887974 1 409 1 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 0 -5.469208 2.1221123 -0.71958375 1 410 1 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 0 -4.795556 0.5883788 1.1642153 1 411 1 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 0 -4.2533207 1.7980547 -1.572976 1 412 1 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 0 -6.9014955 1.5738659 3.7925048 1 413 1 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 0 -6.756997 1.4708489 5.234478 1 414 1 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 0 -6.224117 0.087630115 5.5692234 1 415 1 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 0 -6.7372413 -0.9153758 5.0581965 1 416 1 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 0 -8.113984 1.6991479 5.911728 1 417 1 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 0 -8.10458 1.6376463 7.421157 1 418 1 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 0 -9.489214 1.999429 7.9584146 1 419 1 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 0 -9.517655 1.9845248 9.4823475 1 420 1 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 0 -10.845333 2.4175727 9.990593 1 421 1 +ATOM N N . THR A0 1 57 . 57 THR A0 N 0 -5.174816 0.036338143 6.3748894 1 422 1 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 0 -4.6291676 -1.2305875 6.828519 1 423 1 +ATOM C C . THR A0 1 57 . 57 THR A0 C 0 -4.8183436 -1.3355699 8.332088 1 424 1 +ATOM O O . THR A0 1 57 . 57 THR A0 O 0 -4.4953537 -0.39631975 9.068359 1 425 1 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 0 -3.1358948 -1.3568883 6.469207 1 426 1 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 0 -2.9884515 -1.3092072 5.050226 1 427 1 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 0 -2.5606256 -2.6681414 6.9930296 1 428 1 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 0 -5.370666 -2.4481544 8.771685 1 429 1 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 0 -5.6285057 -2.6803513 10.183488 1 430 1 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 0 -4.9429183 -3.958468 10.638403 1 431 1 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 0 -5.032939 -4.9860907 9.967959 1 432 1 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 0 -7.1267004 -2.7764668 10.45366 1 433 1 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 0 -7.8688135 -1.4876603 10.161877 1 434 1 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 0 -9.340351 -1.5558084 10.535146 1 435 1 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 0 -9.942436 -0.47581047 10.737382 1 436 1 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 0 -9.891176 -2.6708083 10.62533 1 437 1 +ATOM N N . SER A0 1 59 . 59 SER A0 N 0 -4.258547 -3.896245 11.7474375 1 438 1 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 0 -3.664535 -5.0642676 12.377123 1 439 1 +ATOM C C . SER A0 1 59 . 59 SER A0 C 0 -3.6749876 -4.856003 13.876231 1 440 1 +ATOM O O . SER A0 1 59 . 59 SER A0 O 0 -3.9388256 -3.7496085 14.358313 1 441 1 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 0 -2.24086 -5.307966 11.877697 1 442 1 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 0 -1.3158946 -4.4313307 12.499142 1 443 1 +ATOM N N . THR A0 1 60 . 60 THR A0 N 0 -3.368421 -5.8913507 14.60219 1 444 1 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 0 -3.3043132 -5.766822 16.04934 1 445 1 +ATOM C C . THR A0 1 60 . 60 THR A0 C 0 -2.1654725 -4.8463964 16.485767 1 446 1 +ATOM O O . THR A0 1 60 . 60 THR A0 O 0 -2.2067916 -4.2897315 17.584974 1 447 1 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 0 -3.1448498 -7.1461105 16.716042 1 448 1 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 0 -2.001687 -7.8049297 16.159946 1 449 1 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 0 -4.376021 -8.003545 16.471943 1 450 1 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 0 -1.1661364 -4.6870723 15.628656 1 451 1 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 0 0.017042303 -3.9236479 16.006264 1 452 1 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 0 0.011414607 -2.4855514 15.489309 1 453 1 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 0 0.44312862 -1.5817118 16.208847 1 454 1 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 0 1.2666694 -4.6663 15.536167 1 455 1 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 0 1.3697338 -6.0832376 16.137669 1 456 1 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 0 2.4619021 -6.8921385 15.46788 1 457 1 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 0 1.6083925 -6.0076723 17.64878 1 458 1 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 0 -0.45728108 -2.2736175 14.253063 1 459 1 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 0 -0.46417022 -0.9266074 13.664837 1 460 1 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 0 -1.6608908 -0.7433009 12.754411 1 461 1 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 0 -2.0354362 -1.6689124 12.019476 1 462 1 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 0 0.79823536 -0.6563726 12.841845 1 463 1 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 0 2.0906858 -0.6227764 13.60984 1 464 1 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 0 2.217741 0.6123358 14.487661 1 465 1 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 0 3.568953 0.60881484 15.18878 1 466 1 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 0 3.6848297 1.7267772 16.13948 1 467 1 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 0 -2.2315903 0.43996468 12.789919 1 468 1 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 0 -3.2321837 0.85777783 11.816578 1 469 1 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 0 -2.6663804 2.0134754 11.0075245 1 470 1 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 0 -2.0803127 2.9391198 11.573476 1 471 1 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 0 -4.518726 1.3115222 12.496804 1 472 1 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 0 -5.191247 0.21739772 13.2822695 1 473 1 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 0 -5.0797815 -0.959192 12.957608 1 474 1 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 0 -5.9089565 0.6043765 14.320827 1 475 1 +ATOM N N . THR A0 1 64 . 64 THR A0 N 0 -2.8250022 1.9534738 9.701502 1 476 1 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 0 -2.44448 3.0687478 8.837295 1 477 1 +ATOM C C . THR A0 1 64 . 64 THR A0 C 0 -3.5735037 3.3506303 7.8617945 1 478 1 +ATOM O O . THR A0 1 64 . 64 THR A0 O 0 -4.4059753 2.4837642 7.587121 1 479 1 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 0 -1.14458 2.7944698 8.049099 1 480 1 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 0 -1.3197606 1.6445432 7.232664 1 481 1 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 0 0.029968666 2.5857701 8.994513 1 482 1 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 0 -3.5989008 4.568322 7.3547983 1 483 1 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 0 -4.611247 4.944558 6.380519 1 484 1 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 0 -4.063736 6.0421505 5.4879465 1 485 1 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 0 -3.4533124 6.9988737 5.975392 1 486 1 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 0 -5.8805394 5.440362 7.0747795 1 487 1 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 0 -6.9849415 5.8454275 6.119724 1 488 1 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 0 -8.264151 6.240364 6.8358946 1 489 1 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 0 -8.435884 5.8691483 8.021595 1 490 1 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 0 -9.110495 6.923089 6.2143345 1 491 1 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 0 -4.287916 5.892058 4.1826067 1 492 1 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 0 -3.977456 6.962539 3.2474566 1 493 1 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 0 -5.1821127 7.235746 2.371555 1 494 1 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 0 -5.947175 6.3244715 2.0397372 1 495 1 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 0 -2.7410789 6.658861 2.3606126 1 496 1 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 0 -2.936813 5.3665385 1.5600816 1 497 1 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 0 -1.4722039 6.6434155 3.1983824 1 498 1 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 0 -1.8436708 5.1069064 0.50966644 1 499 1 +ATOM N N . SER A0 1 67 . 67 SER A0 N 0 -5.3886228 8.494111 2.0262175 1 500 1 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 0 -6.3735485 8.899292 1.0372137 1 501 1 +ATOM C C . SER A0 1 67 . 67 SER A0 C 0 -5.6637597 9.760659 0.00739165 1 502 1 +ATOM O O . SER A0 1 67 . 67 SER A0 O 0 -4.8470345 10.616211 0.36997038 1 503 1 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 0 -7.5258026 9.677668 1.6719797 1 504 1 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 0 -8.334801 8.83518 2.4610662 1 505 1 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 0 -5.9712915 9.556274 -1.2546344 1 506 1 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 0 -5.2013617 10.218096 -2.302743 1 507 1 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 0 -6.0014954 10.294937 -3.5904403 1 508 1 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 0 -7.0052595 9.599766 -3.7677188 1 509 1 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 0 -3.8811133 9.4641285 -2.5496995 1 510 1 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 0 -4.0956593 8.020281 -2.9027405 1 511 1 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 0 -4.19775 7.0604687 -1.9030007 1 512 1 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 0 -4.210035 7.6140356 -4.2111883 1 513 1 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 0 -4.42028 5.72321 -2.215989 1 514 1 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 0 -4.430746 6.2851315 -4.5286026 1 515 1 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 0 -4.533906 5.341689 -3.5293093 1 516 1 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 0 -5.535347 11.136988 -4.4731684 1 517 1 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 0 -6.0296955 11.246246 -5.8372245 1 518 1 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 0 -4.912942 10.775774 -6.7605376 1 519 1 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 0 -3.7479167 11.117825 -6.5514145 1 520 1 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 0 -6.444087 12.696665 -6.1522064 1 521 1 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 0 -7.640793 13.105728 -5.28697 1 522 1 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 0 -6.7591715 12.872574 -7.637828 1 523 1 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 0 -7.953311 14.593535 -5.329603 1 524 1 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 0 -5.260071 9.978575 -7.760049 1 525 1 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 0 -4.2396374 9.44453 -8.663902 1 526 1 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 0 -3.3957903 10.568405 -9.270296 1 527 1 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 0 -3.9226966 11.577875 -9.732952 1 528 1 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 0 -4.892399 8.6352625 -9.787123 1 529 1 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 0 -5.573771 7.339736 -9.363129 1 530 1 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 0 -6.32641 6.740783 -10.547409 1 531 1 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 0 -4.5658655 6.346016 -8.800953 1 532 1 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 0 -2.089403 10.36772 -9.224787 1 533 1 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 0 -1.146257 11.304658 -9.800812 1 534 1 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 0 -0.78993535 12.490427 -8.932079 1 535 1 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 0 0.07346597 13.283833 -9.321447 1 536 1 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 0 -1.4251326 12.607867 -7.758539 1 537 1 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 0 -1.2263693 13.765886 -6.8970227 1 538 1 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 0 -0.39836907 13.362728 -5.68108 1 539 1 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 0 -0.81219244 12.512114 -4.8887362 1 540 1 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 0 -2.577053 14.337224 -6.4573097 1 541 1 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 0 -3.5282571 14.617708 -7.6212015 1 542 1 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 0 -3.051427 15.745473 -8.51458 1 543 1 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 0 -2.53679 16.754105 -8.037217 1 544 1 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 0 -3.211788 15.57295 -9.818048 1 545 1 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 0 0.77431595 13.981342 -5.519208 1 546 1 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 0 1.6817648 13.63451 -4.4333925 1 547 1 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 0 1.0863197 13.998255 -3.0806725 1 548 1 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 0 0.42796493 15.029694 -2.9347086 1 549 1 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 0 3.0210943 14.351474 -4.6285086 1 550 1 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 0 4.115467 13.905801 -3.6790366 1 551 1 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 0 5.447349 14.543131 -4.01917 1 552 1 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 0 6.3945336 13.8024025 -4.3723183 1 553 1 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 0 5.541928 15.784679 -3.9284277 1 554 1 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 0 1.3193028 13.131145 -2.0729554 1 555 1 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 0 0.8186188 13.377733 -0.72272575 1 556 1 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 0 1.8405616 12.928295 0.30663234 1 557 1 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 0 2.7586439 12.1666355 0.00074755726 1 558 1 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 0 -0.53403103 12.676018 -0.49614722 1 559 1 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 0 -0.4824198 11.176139 -0.6517328 1 560 1 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 0 -0.5899543 10.597481 -1.9052706 1 561 1 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 0 -0.33942455 10.3461485 0.45193806 1 562 1 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 0 -0.5476662 9.209589 -2.0625508 1 563 1 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 0 -0.29712835 8.969261 0.30456853 1 564 1 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 0 -0.40254295 8.401803 -0.95501006 1 565 1 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 0 1.675817 13.422897 1.528727 1 566 1 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 0 2.544204 13.047066 2.6395106 1 567 1 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 0 2.0091252 11.783695 3.2964044 1 568 1 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 0 0.80660003 11.6631565 3.550679 1 569 1 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 0 2.6073103 14.164351 3.6841917 1 570 1 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 0 3.2381334 15.43127 3.1420863 1 571 1 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 0 4.3740454 15.359219 2.6322827 1 572 1 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 0 2.5972152 16.494225 3.247564 1 573 1 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 0 2.922894 10.854237 3.5905395 1 574 1 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 0 2.5505629 9.6023655 4.224455 1 575 1 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 0 3.5031629 9.314901 5.364127 1 576 1 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 0 4.7179565 9.455723 5.2025323 1 577 1 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 0 2.6003976 8.459864 3.2005818 1 578 1 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 0 2.3023465 7.0820317 3.7885585 1 579 1 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 0 2.4159033 5.96288 2.7688284 1 580 1 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 0 2.8221307 6.2251425 1.6151698 1 581 1 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 0 2.1032674 4.795311 3.1223783 1 582 1 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 0 2.9774954 8.908428 6.516697 1 583 1 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 0 3.7785642 8.332434 7.5902863 1 584 1 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 0 3.5415735 6.829792 7.554818 1 585 1 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 0 2.4158773 6.371425 7.723627 1 586 1 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 0 3.4135375 8.916519 8.970027 1 587 1 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 0 3.6234941 10.422831 8.982373 1 588 1 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 0 4.265128 8.245813 10.050798 1 589 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 4.6181526 6.078775 7.307977 1 590 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 4.499544 4.6355247 7.1203003 1 591 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 4.423635 3.905836 8.4625225 1 592 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 4.6769695 4.495383 9.518888 1 593 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 5.680552 4.0906296 6.304282 1 594 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 6.8813467 4.26771 7.058894 1 595 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 5.796727 4.8206 4.962794 1 596 1 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 0 4.093313 2.6123643 8.408147 1 597 1 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 0 3.99146 1.8253653 9.635116 1 598 1 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 0 5.3164253 1.7910056 10.403795 1 599 1 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 0 5.316987 1.6901237 11.632235 1 600 1 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 0 3.5282302 0.40870357 9.317728 1 601 1 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 0 6.437188 1.8667145 9.687801 1 602 1 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 0 7.7574425 1.9120398 10.305192 1 603 1 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 0 8.245846 3.3330264 10.553923 1 604 1 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 0 9.433905 3.554471 10.801937 1 605 1 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 0 8.786015 1.1381907 9.464071 1 606 1 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 0 8.943977 1.6659992 8.05918 1 607 1 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 0 7.9084196 1.8416253 7.360005 1 608 1 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 0 10.103881 1.8913251 7.625644 1 609 1 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 0 7.3319216 4.2974606 10.493719 1 610 1 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 0 7.581309 5.6827617 10.881434 1 611 1 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 0 8.5007305 6.4508123 9.935429 1 612 1 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 0 9.126689 7.434851 10.340963 1 613 1 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 0 8.100948 5.7677464 12.328581 1 614 1 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 0 7.1093445 5.207739 13.322094 1 615 1 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 0 5.907549 5.5509977 13.22513 1 616 1 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 0 7.5227146 4.430045 14.205467 1 617 1 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 0 8.590868 6.0370216 8.679771 1 618 1 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 0 9.206331 6.8961086 7.6798377 1 619 1 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 0 8.209069 7.97023 7.2782354 1 620 1 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 0 7.011016 7.7086306 7.131278 1 621 1 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 0 9.623718 6.1064444 6.430524 1 622 1 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 0 10.807609 5.1915026 6.5957623 1 623 1 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 0 10.961688 4.3028393 5.352193 1 624 1 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 0 9.891287 3.3023612 5.3427615 1 625 1 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 0 9.159933 2.979578 4.279829 1 626 1 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 0 9.386918 3.5621614 3.1149116 1 627 1 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 0 8.20108 2.064973 4.3971195 1 628 1 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 0 8.728529 9.154474 7.092827 1 629 1 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 0 7.9365416 10.246219 6.538641 1 630 1 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 0 8.298775 10.364911 5.068121 1 631 1 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 0 9.41611 10.765637 4.730045 1 632 1 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 0 8.221525 11.547443 7.290495 1 633 1 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 0 7.909318 11.467658 8.777473 1 634 1 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 0 8.307787 12.748395 9.502532 1 635 1 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 0 8.034962 12.621634 10.997107 1 636 1 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 0 8.377451 13.87335 11.724684 1 637 1 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 0 7.3708096 9.9809475 4.211493 1 638 1 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 0 7.665551 9.890797 2.7830663 1 639 1 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 0 6.7211065 10.766218 1.9683781 1 640 1 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 0 5.6378226 11.136914 2.424356 1 641 1 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 0 7.5846486 8.42948 2.2750425 1 642 1 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 0 8.457026 7.50605 3.125796 1 643 1 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 0 6.138329 7.93503 2.2457294 1 644 1 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 0 7.163873 11.091047 0.77174 1 645 1 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 0 6.2857924 11.668995 -0.2390004 1 646 1 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 0 5.835646 10.529894 -1.1438873 1 647 1 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 0 6.667799 9.82836 -1.7231584 1 648 1 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 0 7.019895 12.723585 -1.0721059 1 649 1 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 0 7.4932632 13.932846 -0.29523227 1 650 1 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 0 6.333397 14.834347 0.083550505 1 651 1 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 0 6.8353233 16.148083 0.6980054 1 652 1 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 0 5.6974354 17.005249 1.0675123 1 653 1 +ATOM N N . SER A0 1 86 . 86 SER A0 N 0 4.537408 10.323044 -1.251751 1 654 1 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 0 3.9861214 9.231718 -2.0501208 1 655 1 +ATOM C C . SER A0 1 86 . 86 SER A0 C 0 3.1960351 9.767401 -3.2390304 1 656 1 +ATOM O O . SER A0 1 86 . 86 SER A0 O 0 2.5054955 10.779123 -3.132828 1 657 1 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 0 3.058157 8.352476 -1.2054632 1 658 1 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 0 3.7907875 7.554003 -0.28958312 1 659 1 +ATOM N N . THR A0 1 87 . 87 THR A0 N 0 3.3245785 9.0868225 -4.3530293 1 660 1 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 0 2.4783125 9.334622 -5.5133185 1 661 1 +ATOM C C . THR A0 1 87 . 87 THR A0 C 0 1.9725165 7.9917545 -6.012455 1 662 1 +ATOM O O . THR A0 1 87 . 87 THR A0 O 0 2.7558627 7.048277 -6.151926 1 663 1 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 0 3.2397275 10.050741 -6.6435156 1 664 1 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 0 3.899056 11.208179 -6.1333914 1 665 1 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 0 2.2745252 10.479992 -7.7512493 1 666 1 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 0 0.67553705 7.899894 -6.2647314 1 667 1 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 0 0.075374104 6.66216 -6.747571 1 668 1 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 0 -0.6121545 6.945903 -8.07836 1 669 1 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 0 -1.3660085 7.910149 -8.20034 1 670 1 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 0 -0.91761464 6.0736504 -5.7235374 1 671 1 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 0 -0.21596204 5.858368 -4.379322 1 672 1 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 0 -1.5072734 4.7679453 -6.2464867 1 673 1 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 0 -1.1080848 5.3065014 -3.2757921 1 674 1 +ATOM N N . THR A0 1 89 . 89 THR A0 N 0 -0.32024604 6.103045 -9.056138 1 675 1 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 0 -0.8661101 6.2313576 -10.398254 1 676 1 +ATOM C C . THR A0 1 89 . 89 THR A0 C 0 -1.448811 4.8976755 -10.843996 1 677 1 +ATOM O O . THR A0 1 89 . 89 THR A0 O 0 -1.228231 3.8625274 -10.201693 1 678 1 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 0 0.21989396 6.6731973 -11.404471 1 679 1 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 0 1.306802 5.757185 -11.344986 1 680 1 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 0 0.72408456 8.075458 -11.075233 1 681 1 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 0 -2.1954737 4.9194226 -11.938311 1 682 1 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 0 -2.628377 3.6928945 -12.594783 1 683 1 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 0 -1.7675637 3.4622746 -13.829197 1 684 1 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 0 -1.6218667 4.3624325 -14.6620035 1 685 1 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 0 -4.0856595 3.787508 -13.041414 1 686 1 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 0 -5.165945 3.3471029 -12.072161 1 687 1 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 0 -6.5259104 3.5672307 -12.718208 1 688 1 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 0 -4.9954195 1.8900335 -11.674756 1 689 1 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 0 -1.1874717 2.2670763 -13.924757 1 690 1 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 0 -0.366087 1.862628 -15.064075 1 691 1 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 0 -0.90889454 0.5253471 -15.5581455 1 692 1 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 0 -0.6391035 -0.51905173 -14.968218 1 693 1 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 0 1.1026857 1.7417779 -14.643064 1 694 1 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 0 1.9894247 1.2102692 -15.757879 1 695 1 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 0 1.5972573 1.3457723 -16.94461 1 696 1 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 0 3.0776944 0.6734894 -15.45415 1 697 1 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 0 -1.7147126 0.5595907 -16.620132 1 698 1 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 0 -2.275331 -0.66312546 -17.160408 1 699 1 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 0 -3.0969958 -1.4441984 -16.152393 1 700 1 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 0 -2.9849997 -2.6769738 -16.087627 1 701 1 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 0 -3.9173183 -0.7794965 -15.386218 1 702 1 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 0 -4.7764006 -1.421197 -14.401213 1 703 1 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 0 -4.110339 -1.7269655 -13.076815 1 704 1 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 0 -4.7741303 -2.246625 -12.173182 1 705 1 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 0 -2.8258486 -1.4318593 -12.944667 1 706 1 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 0 -2.0788162 -1.6824783 -11.720076 1 707 1 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 0 -1.8905973 -0.3641215 -10.971272 1 708 1 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 0 -1.4510291 0.63158584 -11.560788 1 709 1 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 0 -0.69901526 -2.3116593 -12.029243 1 710 1 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 0 0.09679765 -2.5348186 -10.748165 1 711 1 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 0 -0.8690643 -3.6189451 -12.799416 1 712 1 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 0 -2.2206874 -0.36395627 -9.682584 1 713 1 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 0 -1.9361386 0.7918944 -8.842096 1 714 1 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 0 -0.45599258 0.7905768 -8.491264 1 715 1 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 0 0.038872473 -0.16265793 -7.8865013 1 716 1 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 0 -2.774536 0.7519623 -7.566306 1 717 1 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 0 -4.2374372 1.1522264 -7.680925 1 718 1 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 0 -4.9776144 0.80237603 -6.3982706 1 719 1 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 0 -4.34813 2.654429 -7.9494686 1 720 1 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 0 0.23624519 1.8429937 -8.877337 1 721 1 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 0 1.679651 1.9344921 -8.672288 1 722 1 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 0 1.9740578 3.0881786 -7.719782 1 723 1 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 0 1.6939527 4.2511587 -8.033234 1 724 1 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 0 2.4249086 2.1540937 -10.006873 1 725 1 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 0 3.924018 2.2559178 -9.760742 1 726 1 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 0 2.104293 1.0239172 -10.983391 1 727 1 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 0 2.5469413 2.7491171 -6.565496 1 728 1 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 0 2.8876505 3.7273946 -5.549036 1 729 1 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 0 4.3947678 3.879794 -5.4628167 1 730 1 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 0 5.1148844 2.8895378 -5.3074336 1 731 1 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 0 2.3382947 3.2894473 -4.19543 1 732 1 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 0 2.7310688 4.203327 -3.0428734 1 733 1 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 0 2.2315602 3.6954591 -1.7094214 1 734 1 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 0 1.7959371 2.5504997 -1.5797932 1 735 1 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 0 2.3031993 4.547882 -0.68237686 1 736 1 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 0 4.867585 5.0945644 -5.587006 1 737 1 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 0 6.2765536 5.3968763 -5.3601675 1 738 1 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 0 6.3849688 6.2466745 -4.1009316 1 739 1 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 0 5.7049317 7.2711997 -3.9754634 1 740 1 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 0 6.9017315 6.138278 -6.5649304 1 741 1 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 0 8.374914 6.42764 -6.2945457 1 742 1 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 0 6.74556 5.3003235 -7.829792 1 743 1 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 0 7.2189794 5.7911034 -3.1634574 1 744 1 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 0 7.5251956 6.5365305 -1.9504349 1 745 1 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 0 8.931461 7.088681 -2.0586095 1 746 1 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 0 9.85758 6.359458 -2.430696 1 747 1 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 0 7.445605 5.6406493 -0.71361125 1 748 1 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 0 6.062758 5.0879974 -0.4249888 1 749 1 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 0 6.0732203 4.121204 0.7385035 1 750 1 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 0 7.1046247 3.5407472 1.0821879 1 751 1 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 0 4.9094763 3.913271 1.358995 1 752 1 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 0 9.106947 8.351832 -1.7172794 1 753 1 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 0 10.423199 8.985439 -1.740432 1 754 1 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 0 10.726009 9.5786295 -0.3753847 1 755 1 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 0 9.865139 10.252366 0.20971334 1 756 1 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 0 10.488003 10.087822 -2.8134856 1 757 1 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 0 10.283864 9.604824 -4.227995 1 758 1 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 0 10.368881 10.76722 -5.204225 1 759 1 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 0 10.128075 10.308884 -6.635085 1 760 1 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 0 10.131004 11.463473 -7.577979 1 761 1 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 0 11.935606 9.356792 0.10791681 1 762 1 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 0 12.383348 9.938255 1.3667587 1 763 1 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 0 13.905734 9.888135 1.4359635 1 764 1 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 0 14.529621 8.908295 1.0129302 1 765 1 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 0 11.755522 9.210957 2.5690532 1 766 1 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 0 12.38031 7.8810673 2.8966656 1 767 1 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 0 13.243542 7.6268063 3.9376802 1 768 1 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 0 12.258495 6.6541905 2.183812 1 769 1 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 0 13.632479 6.3093743 3.9099212 1 770 1 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 0 13.03414 5.6974335 2.8421865 1 771 1 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 0 11.529032 6.2812214 1.0304596 1 772 1 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 0 13.133566 4.3728 2.3968592 1 773 1 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 0 11.617014 4.9663143 0.5980753 1 774 1 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 0 12.405928 4.041689 1.2747445 1 775 1 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 0 14.526595 10.900928 1.9713876 1 776 1 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 0 15.962913 10.949358 2.237571 1 777 1 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 0 16.800613 10.456798 1.0502733 1 778 1 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 0 17.804302 9.763458 1.224117 1 779 1 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 0 16.314457 10.117316 3.48281 1 780 1 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 0 15.706052 10.673695 4.755755 1 781 1 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 0 15.542855 11.916596 4.8420734 1 782 1 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 0 15.413674 9.889519 5.676484 1 783 1 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 0 16.430807 10.819431 -0.15692487 1 784 1 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 0 17.160233 10.425024 -1.3514214 1 785 1 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 0 16.953186 8.986128 -1.7651635 1 786 1 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 0 17.644365 8.516592 -2.6795537 1 787 1 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 0 16.045187 8.277208 -1.1052761 1 788 1 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 0 15.738016 6.8824778 -1.422458 1 789 1 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 0 14.344005 6.7813153 -2.0244374 1 790 1 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 0 13.547411 7.722557 -1.9371549 1 791 1 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 0 15.805414 6.0180693 -0.15291473 1 792 1 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 0 17.103851 6.1268973 0.62739474 1 793 1 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 0 16.97538 5.4244204 1.9733963 1 794 1 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 0 18.113678 5.7945323 2.9084258 1 795 1 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 0 17.898928 5.2045574 4.2543793 1 796 1 +ATOM N N . SER A0 1 105 . 105 SER A0 N 0 14.058901 5.6365 -2.6140594 1 797 1 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 0 12.708846 5.4025555 -3.1082733 1 798 1 +ATOM C C . SER A0 1 105 . 105 SER A0 C 0 12.383213 3.9204211 -3.0822687 1 799 1 +ATOM O O . SER A0 1 105 . 105 SER A0 O 0 13.278963 3.0701332 -3.1361928 1 800 1 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 0 12.524633 5.9645796 -4.520379 1 801 1 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 0 13.241214 5.203762 -5.47453 1 802 1 +ATOM N N . THR A0 1 106 . 106 THR A0 N 0 11.113995 3.6251864 -2.9712443 1 803 1 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 0 10.626055 2.252098 -3.0532126 1 804 1 +ATOM C C . THR A0 1 106 . 106 THR A0 C 0 9.315889 2.2794745 -3.8218148 1 805 1 +ATOM O O . THR A0 1 106 . 106 THR A0 O 0 8.583631 3.2806706 -3.7868457 1 806 1 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 0 10.449985 1.6158183 -1.649076 1 807 1 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 0 10.107898 0.23350884 -1.7785128 1 808 1 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 0 9.363445 2.3279316 -0.8408916 1 809 1 +ATOM N N . THR A0 1 107 . 107 THR A0 N 0 9.018381 1.1856878 -4.529311 1 810 1 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 0 7.7983794 1.1050155 -5.32135 1 811 1 +ATOM C C . THR A0 1 107 . 107 THR A0 C 0 6.9440746 -0.06275125 -4.8432703 1 812 1 +ATOM O O . THR A0 1 107 . 107 THR A0 O 0 7.450388 -1.1643832 -4.6200714 1 813 1 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 0 8.127826 0.9468898 -6.8187504 1 814 1 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 0 8.817274 2.1089435 -7.2684693 1 815 1 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 0 6.845489 0.78760934 -7.6415133 1 816 1 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 0 5.650218 0.19849774 -4.6937246 1 817 1 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 0 4.6797414 -0.81044173 -4.292045 1 818 1 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 0 3.603483 -0.8792861 -5.3740325 1 819 1 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 0 2.9561114 0.13625404 -5.669367 1 820 1 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 0 4.045615 -0.4614741 -2.9306598 1 821 1 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 0 5.122079 -0.34011775 -1.8475653 1 822 1 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 0 2.991197 -1.492246 -2.5525415 1 823 1 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 0 4.665996 0.46154433 -0.63413984 1 824 1 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 0 3.4482968 -2.0606916 -5.9730206 1 825 1 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 0 2.4204345 -2.2600691 -6.9908404 1 826 1 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 0 1.3087127 -3.1394277 -6.4422493 1 827 1 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 0 1.5914633 -4.162213 -5.79475 1 828 1 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 0 3.0179572 -2.9072416 -8.249924 1 829 1 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 0 4.0019145 -2.0178182 -8.983568 1 830 1 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 0 4.545092 -2.7374837 -10.219615 1 831 1 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 0 5.4632053 -1.8181682 -11.020413 1 832 1 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 0 5.987179 -2.5073805 -12.215609 1 833 1 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 0 0.07771914 -2.752203 -6.698249 1 834 1 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 0 -1.0873833 -3.5147865 -6.2619205 1 835 1 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 0 -1.9071219 -3.8694925 -7.483182 1 836 1 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 0 -2.2762313 -2.9832778 -8.270048 1 837 1 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 0 -1.9184778 -2.7004793 -5.265813 1 838 1 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 0 -1.1562107 -2.3412442 -3.9867973 1 839 1 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 0 -1.9880221 -1.4719464 -3.0431247 1 840 1 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 0 -1.3011281 -1.2045537 -1.7687087 1 841 1 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 0 -0.5059887 -0.15371534 -1.5519372 1 842 1 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 0 -0.2790636 0.74168646 -2.5147543 1 843 1 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 0 0.08029742 -0.013685423 -0.3703535 1 844 1 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 0 -2.1934798 -5.150016 -7.669552 1 845 1 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 0 -2.9429126 -5.60207 -8.83556 1 846 1 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 0 -3.9311292 -6.6886797 -8.453299 1 847 1 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 0 -3.7392163 -7.407155 -7.469003 1 848 1 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 0 -1.9946902 -6.1260166 -9.9229965 1 849 1 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 0 -1.2500896 -7.4071884 -9.532758 1 850 1 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 0 -0.40735093 -7.918974 -10.693893 1 851 1 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 0 0.36024728 -9.169058 -10.270881 1 852 1 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 0 1.1251284 -9.736383 -11.397392 1 853 1 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 0 -4.9681115 -6.7983055 -9.250608 1 854 1 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 0 -5.883936 -7.9262505 -9.119594 1 855 1 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 0 -5.3678484 -9.074087 -9.96472 1 856 1 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 0 -5.004786 -8.881033 -11.135675 1 857 1 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 0 -7.2953234 -7.523491 -9.550845 1 858 1 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 0 -8.076331 -6.6925735 -8.538938 1 859 1 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 0 -8.443872 -7.513206 -7.308075 1 860 1 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 0 -8.946388 -8.839472 -7.636566 1 861 1 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 0 -10.196413 -9.115573 -7.9860907 1 862 1 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 0 -11.097732 -8.14813 -8.026375 1 863 1 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 0 -10.526626 -10.36688 -8.282909 1 864 1 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 0 -5.3412056 -10.263341 -9.3600445 1 865 1 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 0 -4.9680243 -11.488689 -10.061588 1 866 1 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 0 -5.911198 -12.578706 -9.566652 1 867 1 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 0 -5.9169245 -12.897021 -8.371957 1 868 1 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 0 -3.5081568 -11.836577 -9.775983 1 869 1 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 0 -3.0527482 -13.150011 -10.385504 1 870 1 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 0 -1.6178111 -13.48088 -10.070482 1 871 1 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 0 -0.7263817 -12.654175 -10.3312845 1 872 1 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 0 -1.3678728 -14.578543 -9.52005 1 873 1 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 0 -6.696764 -13.132535 -10.47541 1 874 1 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 0 -7.7610855 -14.062351 -10.088696 1 875 1 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 0 -8.628147 -13.402236 -9.028771 1 876 1 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 0 -9.079847 -12.270319 -9.229286 1 877 1 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 0 -7.1721926 -15.411717 -9.630857 1 878 1 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 0 -6.4340158 -16.137308 -10.7484665 1 879 1 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 0 -6.7911825 -15.92128 -11.926371 1 880 1 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 0 -5.5087786 -16.918806 -10.454153 1 881 1 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 0 -8.863708 -14.057627 -7.8930273 1 882 1 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 0 -9.649706 -13.456221 -6.818119 1 883 1 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 0 -8.7723675 -12.810686 -5.761115 1 884 1 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 0 -9.245964 -12.514996 -4.6617966 1 885 1 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 0 -10.547067 -14.509869 -6.1569757 1 886 1 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 0 -11.666071 -14.960049 -7.0641394 1 887 1 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 0 -12.3643875 -14.085531 -7.6304793 1 888 1 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 0 -11.853186 -16.183344 -7.2152543 1 889 1 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 0 -7.5193005 -12.562822 -6.086677 1 890 1 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 0 -6.558695 -12.066921 -5.1111355 1 891 1 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 0 -6.1619444 -10.626816 -5.404787 1 892 1 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 0 -6.2949953 -10.137694 -6.539096 1 893 1 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 0 -5.296682 -12.948109 -5.1167603 1 894 1 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 0 -5.576769 -14.411034 -4.8466835 1 895 1 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 0 -4.2851915 -15.231367 -4.809531 1 896 1 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 0 -3.5680032 -15.272333 -6.1503396 1 897 1 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 0 -4.367044 -15.987139 -7.202671 1 898 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 -5.6753526 -9.974585 -4.3801775 1 899 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 -5.01101 -8.688611 -4.5103683 1 900 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 -3.544132 -8.941263 -4.2165375 1 901 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 -3.193945 -9.339119 -3.1031518 1 902 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 -5.614158 -7.6692624 -3.5356684 1 903 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 -5.298231 -6.18403 -3.720345 1 904 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 -6.2405562 -5.3571253 -2.8566668 1 905 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 -3.8657713 -5.835847 -3.405352 1 906 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 -2.6979122 -8.760694 -5.2196517 1 907 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 -1.2774189 -9.064824 -5.100581 1 908 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 -0.49673057 -7.7593293 -4.9752135 1 909 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 -0.65764135 -6.8504653 -5.801807 1 910 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 -0.7781577 -9.878283 -6.306707 1 911 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 0.70206213 -10.191322 -6.1636114 1 912 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 -1.5953946 -11.168702 -6.434869 1 913 1 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 0 0.32090995 -7.6979675 -3.931238 1 914 1 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 0 1.1159856 -6.512307 -3.6394618 1 915 1 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 0 2.5844316 -6.867793 -3.8340027 1 916 1 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 0 3.0978236 -7.7788196 -3.1781883 1 917 1 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 0 0.88373506 -6.0255327 -2.1896868 1 918 1 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 0 1.6621664 -4.741837 -1.9257555 1 919 1 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 0 -0.6064371 -5.821216 -1.9172883 1 920 1 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 0 3.2541041 -6.171249 -4.7458906 1 921 1 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 0 4.6801143 -6.3779626 -4.9757895 1 922 1 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 0 5.431635 -5.1328154 -4.539825 1 923 1 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 0 5.140798 -4.0249314 -5.0036755 1 924 1 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 0 4.961267 -6.6723514 -6.4476585 1 925 1 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 0 6.4329767 -6.9959326 -6.7061396 1 926 1 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 0 6.8046966 -6.9779663 -8.1805725 1 927 1 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 0 7.3003035 -8.011389 -8.68239 1 928 1 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 0 6.609682 -5.929455 -8.82645 1 929 1 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 0 6.377825 -5.319687 -3.6237779 1 930 1 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 0 7.1511736 -4.226597 -3.0501828 1 931 1 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 0 8.602371 -4.379056 -3.4626913 1 932 1 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 0 9.169125 -5.463234 -3.3060791 1 933 1 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 0 7.0728765 -4.258652 -1.5267854 1 934 1 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 0 5.4599657 -4.512234 -0.88043106 1 935 1 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 0 9.208156 -3.3243303 -3.9701154 1 936 1 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 0 10.592495 -3.3751144 -4.424955 1 937 1 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 0 11.398434 -2.2622223 -3.7562494 1 938 1 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 0 10.987 -1.0968747 -3.7707012 1 939 1 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 0 10.690004 -3.2464247 -5.963444 1 940 1 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 0 12.1464 -3.271428 -6.405594 1 941 1 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 0 9.907524 -4.3577905 -6.635771 1 942 1 +ATOM N N . MET A0 1 123 . 123 MET A0 N 0 12.525536 -2.6481905 -3.180997 1 943 1 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 0 13.492935 -1.6967275 -2.6331367 1 944 1 +ATOM C C . MET A0 1 123 . 123 MET A0 C 0 14.866222 -2.1276226 -3.1146946 1 945 1 +ATOM O O . MET A0 1 123 . 123 MET A0 O 0 15.340016 -3.193474 -2.7407446 1 946 1 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 0 13.426659 -1.6824073 -1.1145192 1 947 1 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 0 14.48564 -0.807039 -0.44590873 1 948 1 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 0 14.155869 0.9322018 -0.7634574 1 949 1 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 0 15.631636 1.6805053 -0.06607196 1 950 1 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 0 15.46928 -1.3120399 -3.949448 1 951 1 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 0 16.754742 -1.645534 -4.5649214 1 952 1 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 0 16.66832 -3.0410914 -5.1762924 1 953 1 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 0 15.817361 -3.258841 -6.0499077 1 954 1 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 0 17.885975 -1.4728677 -3.5425034 1 955 1 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 0 17.99975 -0.0082197515 -3.0460293 1 956 1 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 0 19.172302 0.21413593 -2.1080165 1 957 1 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 0 18.77739 0.011263733 -0.681294 1 958 1 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 0 19.85116 0.46174622 0.26657617 1 959 1 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 0 17.475863 -4.007447 -4.7526045 1 960 1 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 0 17.455742 -5.3213 -5.3850894 1 961 1 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 0 16.447021 -6.3063774 -4.8489914 1 962 1 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 0 16.35567 -7.431073 -5.3637714 1 963 1 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 0 15.692806 -5.9280434 -3.8192563 1 964 1 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 0 14.861462 -6.8757176 -3.0813904 1 965 1 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 0 13.392352 -6.720698 -3.4606214 1 966 1 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 0 12.858865 -5.609845 -3.4514523 1 967 1 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 0 15.041948 -6.6897545 -1.5603386 1 968 1 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 0 14.085581 -7.5779476 -0.7851086 1 969 1 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 0 16.484951 -6.977375 -1.1628175 1 970 1 +ATOM N N . THR A0 1 127 . 127 THR A0 N 0 12.748676 -7.8460536 -3.7698846 1 971 1 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 0 11.327437 -7.873606 -4.0947323 1 972 1 +ATOM C C . THR A0 1 127 . 127 THR A0 C 0 10.586009 -8.715906 -3.0689692 1 973 1 +ATOM O O . THR A0 1 127 . 127 THR A0 O 0 10.969018 -9.847411 -2.7817078 1 974 1 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 0 11.087819 -8.44865 -5.5012465 1 975 1 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 0 11.737521 -7.6284146 -6.4681015 1 976 1 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 0 9.5928955 -8.507788 -5.8150325 1 977 1 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 0 9.521604 -8.156998 -2.5326066 1 978 1 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 0 8.619808 -8.837613 -1.6114339 1 979 1 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 0 7.264477 -8.9695835 -2.2864997 1 980 1 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 0 6.827864 -8.0461235 -2.9724355 1 981 1 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 0 8.492995 -8.012321 -0.33062392 1 982 1 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 0 7.155914 -8.504541 0.7646377 1 983 1 +ATOM N N . THR A0 1 129 . 129 THR A0 N 0 6.6006346 -10.118352 -2.1000426 1 984 1 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 0 5.249145 -10.300006 -2.6182127 1 985 1 +ATOM C C . THR A0 1 129 . 129 THR A0 C 0 4.3167505 -10.65056 -1.4642885 1 986 1 +ATOM O O . THR A0 1 129 . 129 THR A0 O 0 4.6052437 -11.569505 -0.6843032 1 987 1 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 0 5.2023363 -11.406254 -3.683179 1 988 1 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 0 6.0792217 -11.0645075 -4.7553062 1 989 1 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 0 3.7819605 -11.55918 -4.2283487 1 990 1 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 0 3.2007961 -9.943291 -1.3891203 1 991 1 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 0 2.1944036 -10.185135 -0.35847092 1 992 1 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 0 0.84432214 -10.369677 -1.0322928 1 993 1 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 0 0.46975404 -9.579401 -1.9193969 1 994 1 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 0 2.168313 -9.0461235 0.66222763 1 995 1 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 0 3.3953583 -9.108245 1.5755169 1 996 1 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 0 3.7007427 -7.8353624 2.293137 1 997 1 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 0 2.7522569 -7.4438524 3.3384418 1 998 1 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 0 2.7331762 -7.936366 4.581975 1 999 1 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 0 3.5807092 -8.895386 4.94417 1 1000 1 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 0 1.853725 -7.462922 5.449516 1 1001 1 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 0 0.15875977 -11.430664 -0.64675677 1 1002 1 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 0 -1.0790269 -11.819151 -1.3054373 1 1003 1 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 0 -2.2480047 -11.695588 -0.34465808 1 1004 1 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 0 -2.1957355 -12.199604 0.7838385 1 1005 1 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 0 -0.99499774 -13.2633095 -1.85416 1 1006 1 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 0 -2.298233 -13.663322 -2.5153794 1 1007 1 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 0 0.16719711 -13.389275 -2.8368883 1 1008 1 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 0 -3.2878385 -11.0339 -0.8194609 1 1009 1 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 0 -4.5151796 -10.836674 -0.057252035 1 1010 1 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 0 -5.678543 -11.520111 -0.75896263 1 1011 1 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 0 -5.7340503 -11.583122 -1.9887121 1 1012 1 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 0 -4.833457 -9.338613 0.06313269 1 1013 1 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 0 -3.9099119 -8.568048 0.96811795 1 1014 1 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 0 -2.6215749 -8.209407 0.5641059 1 1015 1 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 0 -4.3113174 -8.19011 2.2436528 1 1016 1 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 0 -1.77559 -7.5096865 1.4027696 1 1017 1 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 0 -3.4777045 -7.4809074 3.0905442 1 1018 1 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 0 -2.2119703 -7.1458073 2.6590965 1 1019 1 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 0 -1.3748245 -6.4561925 3.4875126 1 1020 1 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 0 -6.618582 -12.02726 0.027750425 1 1021 1 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 0 -7.883271 -12.557532 -0.4745961 1 1022 1 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 0 -9.030479 -11.807564 0.17595309 1 1023 1 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 0 -8.862612 -11.175883 1.214628 1 1024 1 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 0 -7.981785 -14.056078 -0.20168264 1 1025 1 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 0 -6.9971285 -14.867094 -1.0249946 1 1026 1 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 0 -7.020273 -16.352474 -0.7295454 1 1027 1 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 0 -6.267756 -17.090689 -1.3944522 1 1028 1 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 0 -7.783462 -16.781559 0.16803727 1 1029 1 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 0 -10.200029 -11.895155 -0.43708494 1 1030 1 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 0 -11.348271 -11.177462 0.11358705 1 1031 1 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 0 -11.693224 -11.709346 1.4945878 1 1032 1 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 0 -11.690388 -12.919252 1.7274399 1 1033 1 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 0 -12.553998 -11.287627 -0.82392323 1 1034 1 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 0 -12.3550005 -10.453932 -2.0831144 1 1035 1 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 0 -13.6668625 -10.108059 -2.7686577 1 1036 1 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 0 -13.424744 -9.350815 -4.0019197 1 1037 1 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 0 -13.327623 -8.020665 -4.0618024 1 1038 1 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 0 -13.0938835 -7.4337845 -5.2309237 1 1039 1 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 0 -13.459417 -7.2774863 -2.9626734 1 1040 1 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 0 -11.951893 -10.793079 2.4184544 1 1041 1 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 0 -12.2699795 -11.152253 3.783429 1 1042 1 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 0 -13.743286 -11.506947 3.8992233 1 1043 1 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 0 -14.518297 -11.350069 2.9647443 1 1044 1 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 0 -11.912285 -10.006557 4.7382174 1 1045 1 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 0 -14.143408 -12.015538 4.9589796 1 1046 1 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 0 -1.5935454 2.415856 3.6715922 1 1047 1 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 0 -0.52843827 2.688423 4.666994 1 1048 1 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 0 -2.889577 1.6283505 4.4773493 1 1049 1 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 0 -0.9197433 1.344904 2.4557154 1 1050 1 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 0 0.91513956 4.3828745 12.319466 1 1051 1 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 0 -0.08561255 3.7869353 13.234819 1 1052 1 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 0 2.5097313 3.979379 12.858656 1 1053 1 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 0 0.67373043 6.075528 12.27186 1 1054 1 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 0 -14.272965 -9.508163 -8.416534 1 1055 1 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 0 -13.812134 -8.638166 -9.523667 1 1056 1 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 0 -14.01025 -11.15516 -8.847199 1 1057 1 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 0 -15.921317 -9.169683 -8.096514 1 1058 1 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 0 2.4678898 -3.1381292 5.9440117 1 1059 1 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 0 3.6317291 -2.4852881 5.420332 1 1060 1 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 0 3.8482418 -2.4235396 4.0943084 1 1061 1 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 0 3.008001 -2.9767644 3.204618 1 1062 1 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 0 1.853931 -3.669529 3.6646395 1 1063 1 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 0 1.6071945 -3.7303991 5.026127 1 1064 1 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 0 6.830688 -1.4917235 6.767188 1 1065 1 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 0 0.89413786 -4.328343 2.7196705 1 1066 1 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 0 2.171258 -3.2008219 7.3744907 1 1067 1 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 0 2.657413 -4.243292 8.141087 1 1068 1 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 0 2.3394294 -4.313096 9.511623 1 1069 1 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 0 1.4884838 -3.3596106 10.091733 1 1070 1 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 0 0.98633075 -2.3151183 9.289031 1 1071 1 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 0 1.312716 -2.2484303 7.9332767 1 1072 1 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 0 4.5287 -1.9394922 6.2352877 1 1073 1 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 0 3.3729877 -2.8771968 1.7300768 1 1074 1 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 0 3.4079819 -4.0586395 1.1864355 1 1075 1 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 0 2.4950142 -2.1146955 1.1138663 1 1076 1 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 0 4.565245 -2.347519 1.5938559 1 1077 1 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 0 5.815379 -1.5421485 5.667384 1 1078 1 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 0 6.919857 -2.657065 7.3494315 1 1079 1 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 0 6.448933 -0.61309135 7.662304 1 1080 1 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 0 8.00334 -1.1493279 6.278392 1 1081 1 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 0 0.04443615 -3.6333044 2.1428518 1 1082 1 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 0 0.9868909 -5.574004 2.597807 1 1083 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 non-polymer +3 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4.cif new file mode 100644 index 0000000000000000000000000000000000000000..5b7c6aebe834cf3e76feb5f6d53932f2fa96ab58 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4.cif @@ -0,0 +1,1402 @@ +data_7fwf-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 94.14 18.100857 1.8719242 -21.413738 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 94.53 18.09803 3.164897 -20.746632 1 2 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 95.31 17.46902 3.1015124 -19.369408 1 3 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 94.14 16.812607 2.1096888 -19.020697 1 4 +ATOM N N . SER A0 1 2 . 2 SER A0 N 94.53 17.667318 4.1359777 -18.592184 1 5 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 94.92 17.11529 4.2195854 -17.251827 1 6 +ATOM C C . SER A0 1 2 . 2 SER A0 C 95.31 15.6064205 4.421446 -17.292873 1 7 +ATOM O O . SER A0 1 2 . 2 SER A0 O 94.14 15.058192 4.9019394 -18.299932 1 8 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 94.53 17.777483 5.3611913 -16.477476 1 9 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 94.14 19.169785 5.16144 -16.337715 1 10 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 93.75 14.962408 4.038861 -16.221798 1 11 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 94.14 13.516794 4.2267046 -16.087618 1 12 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 94.53 13.222811 4.96214 -14.789316 1 13 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 93.36 13.97939 4.875964 -13.815198 1 14 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 93.75 12.789506 2.8823009 -16.098417 1 15 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 94.14 13.118607 2.0259707 -17.27741 1 16 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 92.58 13.86248 0.88077164 -17.181599 1 17 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 91.8 12.7888565 2.1532207 -18.577703 1 18 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 91.41 13.99423 0.3350247 -18.371986 1 19 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 92.19 13.347919 1.0938962 -19.244972 1 20 +ATOM N N . MET A0 1 4 . 4 MET A0 N 94.53 12.104561 5.6645613 -14.768701 1 21 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 94.53 11.66608 6.3734736 -13.569635 1 22 +ATOM C C . MET A0 1 4 . 4 MET A0 C 94.92 11.524734 5.4118214 -12.384306 1 23 +ATOM O O . MET A0 1 4 . 4 MET A0 O 93.75 11.878813 5.7607803 -11.25788 1 24 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 93.36 10.334066 7.082486 -13.856716 1 25 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 92.97 9.779503 7.8940306 -12.676352 1 26 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 92.19 10.544935 9.511606 -12.517683 1 27 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 90.23 9.987812 10.312513 -13.996408 1 28 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 93.75 11.03421 4.2149143 -12.64334 1 29 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 94.14 10.780245 3.246761 -11.581104 1 30 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 94.14 12.042212 2.587843 -11.026524 1 31 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 93.36 11.95539 1.8141474 -10.0748825 1 32 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 92.97 9.813337 2.1727586 -12.065877 1 33 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 92.19 8.107943 2.7544427 -12.108374 1 34 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 94.14 13.2017975 2.9085777 -11.582184 1 35 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 94.14 14.450899 2.3334284 -11.09281 1 36 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 95.31 14.676842 2.6204004 -9.61084 1 37 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 93.75 15.310409 1.8218756 -8.917779 1 38 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 93.36 15.63851 2.8640094 -11.898027 1 39 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 92.58 15.712197 2.2820818 -13.293027 1 40 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 91.41 14.900656 1.3843845 -13.622705 1 41 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 90.62 16.594326 2.7141175 -14.065937 1 42 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 93.75 14.179574 3.7580843 -9.120222 1 43 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 95.31 14.383467 4.1385 -7.7258224 1 44 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 96.09 13.684317 3.1982393 -6.74915 1 45 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 95.31 14.032515 3.1708434 -5.564275 1 46 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 93.36 13.907026 5.570742 -7.49077 1 47 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 95.31 12.709583 2.4424856 -7.2171993 1 48 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 94.92 11.978127 1.5066825 -6.3708477 1 49 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 94.92 12.589747 0.103432685 -6.387257 1 50 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 93.75 12.317373 -0.69746834 -5.496493 1 51 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 94.92 10.513802 1.4076953 -6.8172197 1 52 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 95.31 9.736059 2.6786494 -6.6299925 1 53 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 94.53 9.538737 3.5470343 -7.6918592 1 54 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 94.53 9.211428 3.0016289 -5.398322 1 55 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 93.75 8.82063 4.726371 -7.5182567 1 56 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 93.75 8.494289 4.1767435 -5.21721 1 57 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 94.14 8.299494 5.0378275 -6.286243 1 58 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 94.92 13.403415 -0.18182117 -7.378389 1 59 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 94.92 13.898411 -1.5381821 -7.5958323 1 60 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 94.53 14.858832 -1.947055 -6.481556 1 61 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 94.14 15.749259 -1.1858815 -6.11163 1 62 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 94.53 14.581525 -1.6626868 -8.973175 1 63 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 92.97 15.302704 -2.9942567 -9.11306 1 64 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 92.97 13.54837 -1.4799483 -10.086249 1 65 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 94.92 14.6687355 -3.1432676 -5.9791 1 66 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 94.92 15.555183 -3.6921935 -4.964195 1 67 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 94.92 14.812063 -4.540843 -3.9640937 1 68 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 94.92 13.643614 -4.8870244 -4.152812 1 69 +ATOM N N . THR A0 1 11 . 11 THR A0 N 96.09 15.511753 -4.899851 -2.9135401 1 70 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 95.31 14.956476 -5.707788 -1.83728 1 71 +ATOM C C . THR A0 1 11 . 11 THR A0 C 96.09 14.825123 -4.839579 -0.6014117 1 72 +ATOM O O . THR A0 1 11 . 11 THR A0 O 95.31 15.790244 -4.182632 -0.18399006 1 73 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 94.92 15.850262 -6.9240365 -1.5500027 1 74 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 91.41 15.952141 -7.706804 -2.7461817 1 75 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 91.8 15.254869 -7.7872705 -0.43221053 1 76 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 96.48 13.6526985 -4.816144 -0.02051989 1 77 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 95.7 13.314131 -3.9239113 1.0734053 1 78 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 94.92 12.791202 -4.7228403 2.2623258 1 79 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 93.75 12.129299 -5.753155 2.0829437 1 80 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 94.92 12.251539 -2.9119978 0.6358235 1 81 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 96.48 12.633293 -2.1003323 -0.5646764 1 82 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 96.09 12.403398 -2.4324327 -1.8706577 1 83 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 96.88 13.290968 -0.84206384 -0.5738872 1 84 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 96.88 12.883028 -1.4461906 -2.692462 1 85 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 96.88 13.438417 -0.45056486 -1.9199623 1 86 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 96.09 13.778618 0.0022221527 0.4303126 1 87 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 96.88 14.047044 0.74503976 -2.2895603 1 88 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 96.88 14.382208 1.1878192 0.06449042 1 89 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 96.48 14.513462 1.5487224 -1.2856069 1 90 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 96.48 13.093149 -4.2369347 3.4639826 1 91 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 96.09 12.604174 -4.884538 4.673416 1 92 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 95.7 11.830358 -3.8832488 5.5114307 1 93 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 95.31 12.23704 -2.7346768 5.6729393 1 94 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 95.7 13.768567 -5.4786453 5.481752 1 95 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 92.19 14.771273 -4.4475403 5.981544 1 96 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 91.41 15.878221 -5.122407 6.785408 1 97 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 89.84 16.917107 -4.107115 7.2248755 1 98 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 88.67 18.004261 -4.744069 8.000062 1 99 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 96.09 10.718927 -4.3418226 6.0750036 1 100 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 95.31 9.893698 -3.4795685 6.9226294 1 101 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 94.92 10.621788 -3.1651506 8.227033 1 102 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 93.75 11.109795 -4.071154 8.907122 1 103 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 94.53 8.559724 -4.155093 7.239006 1 104 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 94.53 7.573431 -3.3023028 8.043514 1 105 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 94.92 6.515833 -4.1904488 8.688366 1 106 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 94.53 6.932674 -2.2541604 7.155251 1 107 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 96.48 10.706294 -1.8663042 8.565374 1 108 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 95.31 11.344933 -1.4725621 9.812604 1 109 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 94.92 10.404369 -0.7378838 10.761269 1 110 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 94.53 10.690063 -0.6497842 11.95951 1 111 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 94.92 12.607699 -0.61657834 9.574428 1 112 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 92.58 13.665765 -1.4407538 8.838392 1 113 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 92.97 12.2704315 0.64812255 8.814585 1 114 +ATOM N N . SER A0 1 16 . 16 SER A0 N 95.7 9.306214 -0.20361376 10.261473 1 115 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 95.7 8.335213 0.4240842 11.148142 1 116 +ATOM C C . SER A0 1 16 . 16 SER A0 C 96.09 6.94877 0.4154415 10.525065 1 117 +ATOM O O . SER A0 1 16 . 16 SER A0 O 95.7 6.802785 0.37150317 9.297131 1 118 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 94.53 8.745394 1.8558301 11.509797 1 119 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 92.19 8.532368 2.74193 10.439087 1 120 +ATOM N N . SER A0 1 17 . 17 SER A0 N 96.09 5.956959 0.45207545 11.386524 1 121 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 96.09 4.573802 0.42320332 10.956204 1 122 +ATOM C C . SER A0 1 17 . 17 SER A0 C 95.7 3.7220204 1.2174553 11.933911 1 123 +ATOM O O . SER A0 1 17 . 17 SER A0 O 94.53 3.8258698 1.027684 13.148235 1 124 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 95.31 4.081992 -1.0193751 10.867113 1 125 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 92.97 2.7473888 -1.0829861 10.409494 1 126 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 96.48 2.9191551 2.1369991 11.41865 1 127 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 96.48 2.0434976 2.9520826 12.242647 1 128 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 96.88 0.60181123 2.7982564 11.775373 1 129 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 96.48 0.3073671 2.9593973 10.588644 1 130 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 95.7 2.4386702 4.435014 12.162254 1 131 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 90.23 3.8214865 4.7374654 12.721762 1 132 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 87.89 4.2747188 6.1591635 12.426753 1 133 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 87.11 5.2725286 6.603828 13.039917 1 134 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 87.11 3.647483 6.843416 11.593895 1 135 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 94.92 -0.30047235 2.4780605 12.698604 1 136 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 95.31 -1.7394028 2.3896303 12.472715 1 137 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 95.7 -2.1600661 1.2483346 11.5503435 1 138 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 95.31 -3.2602375 1.2677786 10.994896 1 139 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 94.14 -2.2939827 3.7120461 11.929716 1 140 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 92.97 -2.1666536 4.8415203 12.91056 1 141 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 91.41 -2.2050517 4.623975 14.11212 1 142 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 90.62 -2.016337 6.058832 12.390089 1 143 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 95.31 -1.3315034 0.23256855 11.371061 1 144 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 95.31 -1.6706309 -0.8608253 10.467515 1 145 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 95.31 -2.8866923 -1.6494621 10.957489 1 146 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 94.53 -3.720722 -2.0653152 10.154386 1 147 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 94.14 -0.46591628 -1.7800521 10.2692 1 148 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 94.92 -0.63307846 -2.7928224 9.165881 1 149 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 94.92 -0.38545528 -4.13328 9.402049 1 150 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 94.92 -1.0152885 -2.395627 7.8989925 1 151 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 94.53 -0.5157472 -5.072874 8.391179 1 152 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 94.53 -1.1508346 -3.3263948 6.8747296 1 153 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 94.14 -0.90315574 -4.6722803 7.125641 1 154 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 95.31 -2.9913814 -1.8363519 12.272085 1 155 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 94.92 -4.1454344 -2.5459619 12.81482 1 156 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 94.92 -5.4425545 -1.788366 12.532404 1 157 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 94.92 -6.4483576 -2.3848891 12.149326 1 158 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 94.92 -3.9804463 -2.7751622 14.319506 1 159 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 94.92 -5.0878963 -3.646328 14.888924 1 160 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 93.75 -5.109547 -4.854721 14.566591 1 161 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 93.75 -5.942928 -3.131166 15.641659 1 162 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 95.7 -5.425946 -0.4729991 12.723083 1 163 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 95.7 -6.6016245 0.34828806 12.430264 1 164 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 95.7 -6.957839 0.29137516 10.945737 1 165 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 95.31 -8.136112 0.22414547 10.581089 1 166 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 94.92 -6.356533 1.8021573 12.855936 1 167 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 92.58 -6.2385826 1.9741008 14.356396 1 168 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 91.41 -6.887241 1.2101357 15.104544 1 169 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 91.02 -5.49708 2.8777528 14.782929 1 170 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 95.31 -5.9540396 0.33523545 10.104182 1 171 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 95.31 -6.1766734 0.22492802 8.661274 1 172 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 95.31 -6.821108 -1.1164734 8.307952 1 173 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 94.53 -7.8054733 -1.1669028 7.562333 1 174 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 93.36 -4.8493333 0.40478298 7.915481 1 175 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 95.7 -4.9427986 0.1741302 6.419547 1 176 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 97.27 -4.3991375 -0.9726106 5.8436947 1 177 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 96.88 -5.555762 1.0972675 5.5914154 1 178 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 96.88 -4.476161 -1.1893678 4.479072 1 179 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 96.88 -5.636594 0.8911202 4.216529 1 180 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 96.88 -5.0923967 -0.25703287 3.6737432 1 181 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 96.88 -5.16565 -0.46591938 2.3205366 1 182 +ATOM N N . MET A0 1 24 . 24 MET A0 N 96.88 -6.278148 -2.1981778 8.872292 1 183 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 96.09 -6.844835 -3.5137835 8.614961 1 184 +ATOM C C . MET A0 1 24 . 24 MET A0 C 94.92 -8.285286 -3.6120167 9.108797 1 185 +ATOM O O . MET A0 1 24 . 24 MET A0 O 94.14 -9.134742 -4.201867 8.436119 1 186 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 96.09 -5.9804354 -4.599969 9.270446 1 187 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 94.53 -4.644395 -4.817237 8.582886 1 188 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 94.53 -3.7740545 -6.278407 9.228968 1 189 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 91.8 -3.3454397 -5.7026787 10.880369 1 190 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 96.48 -8.568338 -3.0362263 10.28008 1 191 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 96.09 -9.944544 -3.0152082 10.7896595 1 192 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 94.92 -10.872505 -2.3432612 9.793282 1 193 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 94.53 -11.968662 -2.8262248 9.521875 1 194 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 95.7 -10.02103 -2.2721815 12.126133 1 195 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 95.31 -9.53392 -3.0434284 13.328142 1 196 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 94.92 -9.805027 -2.2407627 14.602462 1 197 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 93.75 -9.166016 -2.8733325 15.827061 1 198 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 92.58 -9.414246 -2.0672612 17.04857 1 199 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 96.09 -10.430025 -1.2148628 9.255041 1 200 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 95.31 -11.253349 -0.45987007 8.325914 1 201 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 94.92 -11.483866 -1.2426481 7.0315056 1 202 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 93.75 -12.523643 -1.0739585 6.38332 1 203 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 94.92 -10.604418 0.8928654 8.0288315 1 204 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 92.97 -11.587311 1.9849993 7.6581597 1 205 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 94.14 -12.535509 2.3361278 8.786951 1 206 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 92.19 -12.250292 2.0124786 9.966974 1 207 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 91.8 -13.585809 2.9347677 8.4797535 1 208 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 96.09 -10.529068 -2.0783854 6.668223 1 209 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 95.31 -10.69079 -2.9528565 5.505898 1 210 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 94.53 -11.676655 -4.092114 5.767766 1 211 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 94.14 -12.128235 -4.748254 4.8248878 1 212 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 94.92 -9.342344 -3.5555186 5.095662 1 213 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 95.31 -8.316557 -2.6465878 4.4066324 1 214 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 95.7 -7.017964 -3.4268641 4.186744 1 215 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 95.31 -8.84892 -2.1278877 3.078414 1 216 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 95.7 -11.9892 -4.336778 7.0462375 1 217 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 94.92 -12.852987 -5.445581 7.428341 1 218 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 94.92 -12.104203 -6.716409 7.780957 1 219 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 94.14 -12.705346 -7.7924666 7.8333173 1 220 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 96.09 -10.81469 -6.6033416 8.03824 1 221 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 95.31 -9.991917 -7.7693486 8.353483 1 222 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 94.92 -10.33917 -8.297441 9.740453 1 223 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 94.14 -10.442267 -7.52327 10.7031145 1 224 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 94.53 -8.491055 -7.419356 8.270528 1 225 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 93.75 -7.6385756 -8.626115 8.633387 1 226 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 94.53 -8.138483 -6.917679 6.859426 1 227 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 95.31 -10.53429 -9.604085 9.847915 1 228 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 95.31 -10.8912325 -10.221937 11.1129 1 229 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 96.09 -9.738438 -10.271748 12.097935 1 230 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 95.7 -8.580038 -10.028833 11.753544 1 231 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 95.31 -10.060632 -10.597725 13.33326 1 232 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 94.92 -9.096855 -10.562267 14.443232 1 233 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 94.92 -7.8393793 -11.392311 14.171573 1 234 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 94.53 -6.714233 -10.887456 14.287181 1 235 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 94.92 -9.775284 -11.044363 15.722761 1 236 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 94.14 -8.83701 -11.144278 16.891249 1 237 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 93.36 -8.215182 -12.345158 17.191906 1 238 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 92.58 -8.582851 -10.042572 17.684973 1 239 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 92.19 -7.3454742 -12.444115 18.270153 1 240 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 92.19 -7.7170773 -10.132334 18.76178 1 241 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 91.8 -7.0995054 -11.332293 19.054768 1 242 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 94.92 -8.020651 -12.657219 13.817827 1 243 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 94.92 -6.870966 -13.542978 13.653725 1 244 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 94.92 -5.9342422 -13.052774 12.546784 1 245 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 94.92 -4.710438 -13.073479 12.7055 1 246 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 94.53 -7.3385344 -14.965784 13.357708 1 247 +ATOM N N . THR A0 1 33 . 33 THR A0 N 94.92 -6.521016 -12.609587 11.451111 1 248 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 94.92 -5.6980767 -12.126347 10.346385 1 249 +ATOM C C . THR A0 1 33 . 33 THR A0 C 95.31 -4.999174 -10.818167 10.705684 1 250 +ATOM O O . THR A0 1 33 . 33 THR A0 O 95.31 -3.8469217 -10.601569 10.316429 1 251 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 94.53 -6.5487647 -11.961813 9.070305 1 252 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 91.8 -7.138114 -13.218508 8.731718 1 253 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 91.41 -5.6779184 -11.480484 7.897004 1 254 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 95.7 -5.6766415 -9.931496 11.450965 1 255 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 94.92 -5.015401 -8.7054 11.895568 1 256 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 94.92 -3.8137097 -9.020111 12.780438 1 257 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 94.92 -2.760104 -8.3853245 12.635979 1 258 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 94.53 -5.988433 -7.802581 12.665455 1 259 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 93.75 -7.0225625 -7.1275325 11.802666 1 260 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 93.75 -7.5923448 -5.886629 12.479651 1 261 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 93.36 -7.996133 -6.0742226 13.865482 1 262 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 94.14 -9.151126 -6.6139183 14.247341 1 263 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 92.58 -10.022194 -7.0510197 13.342714 1 264 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 92.58 -9.433538 -6.711924 15.54302 1 265 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 95.31 -3.9822252 -9.963316 13.703049 1 266 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 95.7 -2.8759804 -10.326513 14.581442 1 267 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 95.31 -1.7112963 -10.90444 13.783613 1 268 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 94.92 -0.55026877 -10.5377865 13.995972 1 269 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 95.31 -3.3281226 -11.316685 15.650814 1 270 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 94.14 -4.3486824 -10.7382555 16.633068 1 271 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 92.97 -3.8025355 -9.478609 17.320587 1 272 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 92.19 -4.8581114 -8.858089 18.192791 1 273 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 90.62 -4.388475 -7.603157 18.804623 1 274 +ATOM N N . MET A0 1 36 . 36 MET A0 N 95.31 -2.0212352 -11.797525 12.849421 1 275 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 94.92 -0.9859605 -12.396765 12.010572 1 276 +ATOM C C . MET A0 1 36 . 36 MET A0 C 94.92 -0.3062785 -11.338159 11.135008 1 277 +ATOM O O . MET A0 1 36 . 36 MET A0 O 94.92 0.92611945 -11.31049 11.02668 1 278 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 94.53 -1.5973111 -13.497096 11.134367 1 279 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 92.58 -0.5993651 -14.185581 10.2055025 1 280 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 91.8 -1.3073547 -15.61165 9.377279 1 281 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 90.23 -2.2556825 -14.79749 8.11945 1 282 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 95.31 -1.1180472 -10.467649 10.523529 1 283 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 94.92 -0.57611907 -9.43153 9.667147 1 284 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 95.31 0.23957731 -8.40843 10.434782 1 285 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 95.31 1.2767068 -7.9405317 9.958304 1 286 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 95.31 -0.21473706 -8.052143 11.627251 1 287 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 94.92 0.48799384 -7.0640364 12.430362 1 288 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 94.92 1.8463411 -7.531654 12.918412 1 289 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 94.14 2.761772 -6.717628 13.087781 1 290 +ATOM N N . MET A0 1 39 . 39 MET A0 N 94.92 1.9759924 -8.816341 13.158807 1 291 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 94.92 3.241369 -9.369907 13.643577 1 292 +ATOM C C . MET A0 1 39 . 39 MET A0 C 94.53 4.2809763 -9.5057125 12.539122 1 293 +ATOM O O . MET A0 1 39 . 39 MET A0 O 94.53 5.4808245 -9.501873 12.813509 1 294 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 94.53 3.021812 -10.748524 14.265936 1 295 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 93.36 2.2732043 -10.736269 15.572643 1 296 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 93.75 2.0608444 -12.408962 16.205544 1 297 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 91.8 3.7602096 -12.839903 16.547876 1 298 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 95.31 3.8198104 -9.635151 11.313067 1 299 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 94.92 4.7298536 -9.922262 10.215761 1 300 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 94.92 5.6577334 -8.743755 9.926935 1 301 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 94.53 5.2716584 -7.5801554 10.017408 1 302 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 94.53 3.941839 -10.28512 8.957958 1 303 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 95.31 6.8850775 -9.056853 9.590309 1 304 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 95.31 7.8673744 -8.085125 9.1283245 1 305 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 94.92 8.259006 -8.479595 7.702806 1 306 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 93.75 9.295926 -9.111524 7.4740024 1 307 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 94.92 9.099764 -8.071631 10.034399 1 308 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 94.53 8.829511 -7.5709105 11.432623 1 309 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 92.97 8.496203 -6.09199 11.443152 1 310 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 93.36 8.756258 -5.4448357 12.778067 1 311 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 91.41 7.8448 -5.9747458 13.831324 1 312 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 95.31 7.4234233 -8.104973 6.727621 1 313 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 95.31 7.625509 -8.611975 5.372546 1 314 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 95.31 8.892906 -8.097179 4.7092223 1 315 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 94.53 9.395817 -7.0196514 5.025172 1 316 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 94.92 6.3867517 -8.112865 4.6082153 1 317 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 94.14 5.3855076 -7.7569714 5.657795 1 318 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 94.92 6.1974783 -7.3011465 6.8337812 1 319 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 94.92 9.365622 -8.876825 3.7735705 1 320 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 94.53 10.387388 -8.484616 2.82444 1 321 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 94.14 9.684197 -8.153143 1.5180299 1 322 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 94.14 8.804631 -8.897474 1.0801464 1 323 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 94.14 11.382364 -9.623945 2.6342344 1 324 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 93.75 12.416775 -9.341986 1.5684065 1 325 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 92.58 12.29196 -9.80352 0.43461022 1 326 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 91.8 13.440922 -8.608782 1.9544528 1 327 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 95.7 10.045628 -7.014473 0.9125953 1 328 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 95.31 9.409036 -6.5826263 -0.32751358 1 329 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 94.92 10.459833 -6.507075 -1.427134 1 330 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 94.53 11.458695 -5.8017664 -1.2825751 1 331 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 94.53 8.743526 -5.2229867 -0.12908697 1 332 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 92.97 7.9922514 -4.5390854 -1.5947988 1 333 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 95.7 10.231024 -7.225953 -2.5098934 1 334 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 95.7 11.141994 -7.219733 -3.6548924 1 335 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 95.7 10.447514 -6.5666733 -4.8343067 1 336 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 95.31 9.364298 -7.012255 -5.238284 1 337 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 94.53 11.587792 -8.637574 -4.034685 1 338 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 92.97 12.24719 -9.3323 -2.8314676 1 339 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 92.97 12.566158 -8.601351 -5.2033916 1 340 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 87.89 11.308503 -10.294131 -2.1229112 1 341 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 95.31 11.068674 -5.510778 -5.3805075 1 342 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 94.53 10.496056 -4.8080263 -6.519709 1 343 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 93.75 11.454516 -4.9176645 -7.6995935 1 344 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 94.14 12.651522 -4.6496587 -7.5517416 1 345 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 94.92 10.210075 -3.3291602 -6.187498 1 346 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 94.92 9.225412 -3.2293937 -5.027083 1 347 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 95.31 9.673824 -2.5973282 -7.4262877 1 348 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 92.19 8.915693 -1.8057277 -4.5883136 1 349 +ATOM N N . SER A0 1 47 . 47 SER A0 N 94.92 10.926823 -5.289481 -8.839848 1 350 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 94.92 11.738543 -5.427984 -10.045826 1 351 +ATOM C C . SER A0 1 47 . 47 SER A0 C 94.14 10.975676 -4.921446 -11.259003 1 352 +ATOM O O . SER A0 1 47 . 47 SER A0 O 94.92 9.750702 -4.7925153 -11.233846 1 353 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 94.53 12.180319 -6.8833313 -10.248069 1 354 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 92.19 11.069441 -7.754591 -10.333458 1 355 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 95.31 11.714315 -4.6265326 -12.306984 1 356 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 94.53 11.133592 -4.1513486 -13.557621 1 357 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 93.36 11.7387295 -4.9221163 -14.725718 1 358 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 92.97 12.956296 -5.132175 -14.7727165 1 359 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 94.53 11.371038 -2.6374373 -13.755277 1 360 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 92.58 10.790041 -2.1808345 -15.089455 1 361 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 92.19 10.7666855 -1.8451002 -12.614736 1 362 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 95.31 10.891041 -5.34021 -15.629991 1 363 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 94.53 11.320549 -5.9989195 -16.862383 1 364 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 93.75 10.509477 -5.378235 -17.988426 1 365 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 92.58 9.33544 -5.6951027 -18.150871 1 366 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 93.75 11.08456 -7.5036335 -16.767256 1 367 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 91.8 11.68709 -8.268545 -17.918339 1 368 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 89.06 11.547971 -7.8891735 -19.073631 1 369 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 88.67 12.340033 -9.387093 -17.586302 1 370 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 94.14 11.13759 -4.4820766 -18.761806 1 371 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 94.14 10.394342 -3.75895 -19.775826 1 372 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 94.53 9.318668 -2.899893 -19.14997 1 373 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 93.75 9.609776 -2.0821602 -18.274996 1 374 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 94.14 8.089867 -3.10961 -19.566935 1 375 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 94.14 6.9596334 -2.3584795 -19.029076 1 376 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 94.92 6.3569508 -2.9972715 -17.78502 1 377 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 94.53 5.4903145 -2.394682 -17.147835 1 378 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 93.75 5.860976 -2.2225647 -20.086485 1 379 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 91.02 6.267351 -1.3703144 -21.266832 1 380 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 90.23 6.9358478 -0.34151685 -21.050526 1 381 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 89.84 5.9025517 -1.7247591 -22.405382 1 382 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 94.53 6.8035765 -4.2045875 -17.424911 1 383 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 94.14 6.179298 -4.9631095 -16.35503 1 384 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 94.53 6.9188685 -4.7437315 -15.039207 1 385 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 94.53 8.107539 -5.0482197 -14.92284 1 386 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 94.14 6.132967 -6.466554 -16.679174 1 387 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 93.36 5.488416 -7.2401934 -15.537914 1 388 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 92.58 5.381028 -6.700251 -17.979073 1 389 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 95.31 6.186222 -4.2175903 -14.063949 1 390 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 94.14 6.7073812 -4.0350056 -12.716698 1 391 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 94.53 6.1843147 -5.180241 -11.858558 1 392 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 94.53 5.003939 -5.5208416 -11.93008 1 393 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 94.53 6.2602663 -2.6848526 -12.125015 1 394 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 94.92 6.691674 -1.532773 -13.030056 1 395 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 95.31 6.8210707 -2.5129976 -10.714567 1 396 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 90.23 6.037922 -0.2011515 -12.683514 1 397 +ATOM N N . THR A0 1 54 . 54 THR A0 N 94.92 7.0606318 -5.761104 -11.043266 1 398 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 94.53 6.6596203 -6.8279624 -10.142919 1 399 +ATOM C C . THR A0 1 54 . 54 THR A0 C 94.14 6.954218 -6.417602 -8.709589 1 400 +ATOM O O . THR A0 1 54 . 54 THR A0 O 94.53 8.045022 -5.9195633 -8.410284 1 401 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 94.53 7.390097 -8.141792 -10.47304 1 402 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 94.14 7.0558195 -8.549044 -11.798857 1 403 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 94.14 6.9936476 -9.250794 -9.493764 1 404 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 94.92 5.963185 -6.607149 -7.827145 1 405 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 94.14 6.1573043 -6.39404 -6.401005 1 406 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 93.75 5.8344707 -7.7021422 -5.696726 1 407 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 93.75 4.70411 -8.194099 -5.7757654 1 408 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 94.53 5.2742705 -5.260995 -5.849121 1 409 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 94.53 5.5168796 -3.9567347 -6.6135097 1 410 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 94.92 5.5547867 -5.0626316 -4.351339 1 411 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 91.02 4.66234 -2.7905974 -6.1594205 1 412 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 96.09 6.8401637 -8.25963 -5.0444255 1 413 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 95.7 6.6781263 -9.50515 -4.3198953 1 414 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 95.31 6.8702345 -9.23812 -2.8398268 1 415 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 94.92 7.8295937 -8.560757 -2.4446175 1 416 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 95.7 7.693535 -10.546009 -4.8090067 1 417 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 93.75 7.593021 -11.888161 -4.0955276 1 418 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 93.36 8.38786 -12.965673 -4.820878 1 419 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 91.41 9.887688 -12.743738 -4.7186394 1 420 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 89.84 10.640127 -13.861261 -5.3538322 1 421 +ATOM N N . THR A0 1 57 . 57 THR A0 N 95.7 5.9632573 -9.740595 -2.029242 1 422 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 94.92 6.064288 -9.602543 -0.58337605 1 423 +ATOM C C . THR A0 1 57 . 57 THR A0 C 94.53 6.202421 -10.988567 0.033481896 1 424 +ATOM O O . THR A0 1 57 . 57 THR A0 O 93.75 5.405899 -11.884844 -0.2592975 1 425 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 94.53 4.837178 -8.883795 0.0014495075 1 426 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 92.58 4.7491302 -7.5707498 -0.5449724 1 427 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 92.19 4.9409943 -8.798701 1.5239611 1 428 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 95.7 7.2169857 -11.149738 0.8480673 1 429 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 94.92 7.474739 -12.416447 1.5121086 1 430 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 94.53 7.4564686 -12.227621 3.0221686 1 431 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 93.75 8.073975 -11.2954855 3.5423124 1 432 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 94.53 8.831419 -12.98572 1.0859811 1 433 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 93.36 8.921974 -13.2940855 -0.39175656 1 434 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 94.53 10.279319 -13.859703 -0.7819018 1 435 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 92.58 10.371365 -14.471201 -1.866644 1 436 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 92.97 11.246677 -13.69628 -0.005640111 1 437 +ATOM N N . SER A0 1 59 . 59 SER A0 N 95.31 6.7580824 -13.071007 3.7113283 1 438 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 94.92 6.763529 -13.0861 5.165421 1 439 +ATOM C C . SER A0 1 59 . 59 SER A0 C 94.92 6.628849 -14.523781 5.625699 1 440 +ATOM O O . SER A0 1 59 . 59 SER A0 O 93.75 6.289816 -15.413128 4.8446445 1 441 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 94.14 5.642696 -12.218752 5.745698 1 442 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 92.58 4.3957376 -12.897451 5.7130833 1 443 +ATOM N N . THR A0 1 60 . 60 THR A0 N 95.31 6.856719 -14.733869 6.888629 1 444 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 94.92 6.7287645 -16.071835 7.4369154 1 445 +ATOM C C . THR A0 1 60 . 60 THR A0 C 94.14 5.294751 -16.583452 7.3567214 1 446 +ATOM O O . THR A0 1 60 . 60 THR A0 O 92.97 5.0704823 -17.79411 7.3166733 1 447 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 94.14 7.2171826 -16.108437 8.897446 1 448 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 93.36 6.518197 -15.113537 9.652299 1 449 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 92.58 8.706166 -15.824552 8.981711 1 450 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 94.53 4.3507032 -15.660458 7.308222 1 451 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 94.53 2.9447665 -16.053293 7.3787155 1 452 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 94.92 2.1979585 -15.969645 6.0523815 1 453 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 93.75 1.1827476 -16.650997 5.8853025 1 454 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 93.75 2.2346873 -15.19341 8.431356 1 455 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 93.36 2.8446236 -15.297728 9.837876 1 456 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 92.19 2.210836 -14.300822 10.7874775 1 457 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 91.41 2.7000158 -16.721972 10.377153 1 458 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 94.92 2.6997347 -15.154042 5.1096015 1 459 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 94.92 1.990654 -14.993815 3.8454804 1 460 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 94.14 2.9160867 -14.4414625 2.7683353 1 461 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 93.75 3.690726 -13.516342 3.0290918 1 462 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 94.14 0.7870487 -14.06744 4.0154257 1 463 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 92.97 -0.21281433 -14.113966 2.8891969 1 464 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 91.8 -1.028415 -15.392384 2.9314747 1 465 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 90.62 -2.233037 -15.299353 2.0068684 1 466 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 89.45 -3.0197415 -16.552124 2.0186596 1 467 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 94.53 2.822353 -14.988586 1.5733378 1 468 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 94.14 3.5373158 -14.478884 0.40833628 1 469 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 94.14 2.533916 -14.008781 -0.62841856 1 470 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 93.36 1.5400128 -14.698227 -0.8875834 1 471 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 93.75 4.430051 -15.547548 -0.21065246 1 472 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 93.36 5.5438633 -15.990307 0.70594966 1 473 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 91.8 5.948214 -15.272942 1.6114147 1 474 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 91.41 6.0605297 -17.177498 0.45804358 1 475 +ATOM N N . THR A0 1 64 . 64 THR A0 N 94.92 2.7871976 -12.8491955 -1.214829 1 476 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 94.92 1.9723907 -12.360401 -2.317167 1 477 +ATOM C C . THR A0 1 64 . 64 THR A0 C 94.92 2.877703 -11.828846 -3.4146614 1 478 +ATOM O O . THR A0 1 64 . 64 THR A0 O 94.92 4.032584 -11.477549 -3.169606 1 479 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 93.75 0.9944649 -11.244877 -1.8884752 1 480 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 91.8 1.7287033 -10.13117 -1.4006071 1 481 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 91.41 0.033942252 -11.747326 -0.8257704 1 482 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 95.31 2.342253 -11.781635 -4.624345 1 483 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 94.92 3.0908008 -11.235172 -5.743574 1 484 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 94.92 2.129487 -10.660264 -6.766287 1 485 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 94.53 1.1245334 -11.295753 -7.098648 1 486 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 94.14 3.9555032 -12.310467 -6.3997803 1 487 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 92.58 4.7555227 -11.79895 -7.585005 1 488 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 92.97 5.6742573 -12.854454 -8.177475 1 489 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 92.19 5.9616485 -13.8580475 -7.4886312 1 490 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 91.8 6.1133537 -12.685088 -9.33666 1 491 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 95.7 2.454864 -9.460451 -7.265092 1 492 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 95.31 1.7060937 -8.889196 -8.366586 1 493 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 95.31 2.6647797 -8.426327 -9.44745 1 494 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 95.31 3.77557 -7.9797254 -9.165182 1 495 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 94.14 0.7994268 -7.710402 -7.9328475 1 496 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 92.58 1.6170437 -6.586296 -7.300596 1 497 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 92.58 -0.31804526 -8.20029 -7.0291443 1 498 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 91.41 0.82541376 -5.2974615 -7.078018 1 499 +ATOM N N . SER A0 1 67 . 67 SER A0 N 95.31 2.2514591 -8.561317 -10.688441 1 500 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 95.31 2.9603152 -8.013036 -11.8368 1 501 +ATOM C C . SER A0 1 67 . 67 SER A0 C 95.31 1.9657665 -7.204051 -12.649364 1 502 +ATOM O O . SER A0 1 67 . 67 SER A0 O 94.92 0.82521296 -7.6416674 -12.85288 1 503 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 94.92 3.5703013 -9.125158 -12.6917305 1 504 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 92.19 4.638814 -9.751642 -12.018787 1 505 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 96.09 2.3869486 -6.0571523 -13.113485 1 506 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 95.7 1.4349787 -5.1512322 -13.7500105 1 507 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 95.7 2.140018 -4.1692057 -14.666619 1 508 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 94.53 3.3618002 -4.0003967 -14.610639 1 509 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 94.14 0.64443153 -4.37726 -12.677734 1 510 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 96.09 1.5382755 -3.6142845 -11.740234 1 511 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 96.48 2.0587306 -4.224678 -10.608988 1 512 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 96.48 1.877881 -2.3026748 -11.996382 1 513 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 96.48 2.9078856 -3.534441 -9.751499 1 514 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 96.48 2.720532 -1.6096864 -11.143377 1 515 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 96.48 3.2283652 -2.2280693 -10.025043 1 516 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 94.92 1.357164 -3.5368834 -15.496563 1 517 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 93.75 1.7947083 -2.4387584 -16.341576 1 518 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 93.75 1.0930865 -1.1810868 -15.8519745 1 519 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 94.14 -0.09838717 -1.2155657 -15.540537 1 520 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 94.14 1.4620175 -2.7150679 -17.823942 1 521 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 94.14 2.251886 -3.9273226 -18.324556 1 522 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 94.92 1.7403575 -1.4883411 -18.690784 1 523 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 88.28 1.8048682 -4.432021 -19.687634 1 524 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 95.31 1.8207624 -0.08573754 -15.759895 1 525 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 94.53 1.237009 1.1493473 -15.253899 1 526 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 93.75 -0.028702121 1.5243506 -16.023685 1 527 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 93.36 -0.04595083 1.506269 -17.255932 1 528 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 94.53 2.2477822 2.2996304 -15.334334 1 529 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 94.14 3.4623766 2.1907783 -14.415045 1 530 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 92.97 4.449428 3.3125067 -14.728302 1 531 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 92.97 3.0435638 2.2286196 -12.9525795 1 532 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 95.7 -1.0713605 1.8486841 -15.27751 1 533 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 94.53 -2.329205 2.2749166 -15.849913 1 534 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 94.14 -3.2474148 1.1638467 -16.31225 1 535 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 92.97 -4.3710117 1.4412704 -16.73342 1 536 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 96.88 -2.7860804 -0.09355408 -16.216137 1 537 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 96.48 -3.5650947 -1.2259486 -16.703333 1 538 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 96.09 -4.146858 -2.0051346 -15.527456 1 539 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 94.92 -3.4019861 -2.5426126 -14.696499 1 540 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 95.7 -2.6896539 -2.1357646 -17.56715 1 541 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 91.02 -1.9528873 -1.3995447 -18.687916 1 542 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 89.84 -2.8931546 -0.8192062 -19.72359 1 543 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 89.06 -3.868331 -1.4563203 -20.120968 1 544 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 88.67 -2.6080155 0.39841872 -20.163013 1 545 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 96.48 -5.472337 -2.083221 -15.457394 1 546 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 95.7 -6.143156 -2.7486007 -14.348007 1 547 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 95.7 -5.880584 -4.248304 -14.372862 1 548 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 94.92 -5.8325186 -4.8693857 -15.44034 1 549 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 94.14 -7.648435 -2.478728 -14.413359 1 550 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 92.97 -8.419687 -2.9412181 -13.186654 1 551 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 94.53 -9.870272 -2.505303 -13.23979 1 552 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 93.36 -10.300274 -1.7501281 -12.33416 1 553 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 92.97 -10.568848 -2.9199824 -14.183046 1 554 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 96.09 -5.6997294 -4.843643 -13.176733 1 555 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 95.7 -5.4513073 -6.2738914 -13.067688 1 556 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 94.92 -6.1428394 -6.8376946 -11.835002 1 557 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 94.14 -6.5341444 -6.0940423 -10.933349 1 558 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 93.75 -3.9453652 -6.5716615 -13.023684 1 559 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 96.48 -3.2212312 -5.936865 -11.86015 1 560 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 97.27 -2.7900763 -4.6176186 -11.9363365 1 561 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 97.27 -2.964041 -6.653654 -10.703245 1 562 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 97.66 -2.1205812 -4.0237136 -10.864521 1 563 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 97.66 -2.299031 -6.0742908 -9.633366 1 564 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 97.27 -1.8782519 -4.751836 -9.71792 1 565 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 96.09 -6.284709 -8.153543 -11.808437 1 566 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 95.7 -6.8929176 -8.840675 -10.673952 1 567 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 95.31 -5.840418 -9.125636 -9.6185875 1 568 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 94.53 -4.72881 -9.558406 -9.932802 1 569 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 95.31 -7.544567 -10.14836 -11.119328 1 570 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 91.41 -8.708742 -9.92944 -12.062381 1 571 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 91.02 -9.637084 -9.179345 -11.700398 1 572 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 91.02 -8.693015 -10.517508 -13.160618 1 573 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 95.7 -6.214861 -8.913748 -8.358207 1 574 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 95.7 -5.3071103 -9.158015 -7.252619 1 575 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 95.31 -6.047222 -9.870489 -6.136704 1 576 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 94.92 -7.17301 -9.495083 -5.8022575 1 577 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 94.14 -4.7356286 -7.8264947 -6.7323666 1 578 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 94.14 -3.8303027 -7.970551 -5.5088263 1 579 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 95.7 -3.3297992 -6.6398997 -4.9814305 1 580 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 94.53 -3.753053 -5.576995 -5.495258 1 581 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 93.75 -2.5082333 -6.644827 -4.025074 1 582 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 94.92 -5.430396 -10.886152 -5.545696 1 583 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 94.53 -5.901432 -11.468868 -4.2934103 1 584 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 94.53 -4.9537125 -10.994897 -3.2065365 1 585 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 94.14 -3.7579672 -11.28027 -3.2447586 1 586 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 94.14 -5.9434695 -13.007788 -4.3420753 1 587 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 91.41 -6.876322 -13.47614 -5.4531107 1 588 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 91.41 -6.412658 -13.5537615 -2.9901462 1 589 +ATOM N N . THR A0 1 78 . 78 THR A0 N 94.14 -5.5005035 -10.243891 -2.2476776 1 590 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 93.75 -4.677288 -9.613901 -1.2201096 1 591 +ATOM C C . THR A0 1 78 . 78 THR A0 C 93.75 -4.284854 -10.610964 -0.12790872 1 592 +ATOM O O . THR A0 1 78 . 78 THR A0 O 93.75 -4.807203 -11.729599 -0.07394868 1 593 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 93.75 -5.4042416 -8.419151 -0.58306265 1 594 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 93.36 -6.556848 -8.901052 0.10960297 1 595 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 93.75 -5.8276196 -7.4113584 -1.6538677 1 596 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 95.31 -3.374562 -10.182137 0.74624336 1 597 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 94.14 -2.9258585 -11.050874 1.8303136 1 598 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 93.36 -4.0758266 -11.460929 2.7460718 1 599 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 92.97 -4.0464125 -12.549696 3.3304806 1 600 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 94.14 -1.8264372 -10.363883 2.6364927 1 601 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 94.92 -5.0840087 -10.606474 2.8754857 1 602 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 94.14 -6.2675447 -10.911215 3.6756134 1 603 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 93.75 -7.391885 -11.518076 2.8440747 1 604 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 92.97 -8.543737 -11.549183 3.2802303 1 605 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 93.36 -6.774856 -9.6619 4.4124517 1 606 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 93.36 -7.1178226 -8.515263 3.4924889 1 607 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 92.58 -6.2818637 -8.170998 2.6112971 1 608 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 92.19 -8.214857 -7.9204435 3.6554375 1 609 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 94.53 -7.0621676 -11.982218 1.6491632 1 610 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 94.53 -7.9572325 -12.7425585 0.7845217 1 611 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 94.53 -9.110785 -11.930562 0.18987086 1 612 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 93.75 -10.149896 -12.499179 -0.15798795 1 613 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 94.14 -8.496731 -13.979738 1.5226774 1 614 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 93.36 -7.394888 -14.924719 1.935365 1 615 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 91.8 -6.495048 -15.189325 1.1116009 1 616 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 91.41 -7.415642 -15.405149 3.085022 1 617 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 95.31 -8.937254 -10.622807 0.058467507 1 618 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 94.53 -9.870783 -9.851679 -0.7444191 1 619 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 94.14 -9.536037 -10.054289 -2.2163224 1 620 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 94.53 -8.361175 -10.100618 -2.6017416 1 621 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 93.75 -9.806282 -8.351121 -0.42040667 1 622 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 93.75 -10.400123 -7.942642 0.9006318 1 623 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 92.97 -10.051224 -6.475354 1.1959069 1 624 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 92.58 -8.630217 -6.3645735 1.5197082 1 625 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 94.14 -7.806666 -5.443774 1.007612 1 626 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 92.58 -8.27116 -4.5396175 0.16293669 1 627 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 92.19 -6.5240936 -5.4521313 1.3577101 1 628 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 95.7 -10.566617 -10.178877 -3.0034354 1 629 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 95.7 -10.400557 -10.223413 -4.454624 1 630 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 95.7 -10.711777 -8.839598 -4.9967365 1 631 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 94.92 -11.863028 -8.3988 -4.9666195 1 632 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 95.31 -11.32627 -11.2771845 -5.0591493 1 633 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 92.58 -11.099741 -12.672511 -4.5051384 1 634 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 91.8 -12.1617565 -13.648365 -5.0018296 1 635 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 91.02 -11.973492 -15.017633 -4.3604746 1 636 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 89.84 -13.015751 -15.9847 -4.813149 1 637 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 95.7 -9.677515 -8.146887 -5.458233 1 638 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 95.7 -9.832499 -6.7459574 -5.8473244 1 639 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 95.31 -9.399261 -6.5130596 -7.2877226 1 640 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 94.92 -8.669537 -7.310143 -7.8781548 1 641 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 94.53 -9.031826 -5.800211 -4.915678 1 642 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 93.75 -9.368521 -6.0746484 -3.4495928 1 643 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 94.14 -7.5299597 -5.952385 -5.1553164 1 644 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 96.09 -9.878681 -5.413874 -7.837017 1 645 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 96.09 -9.356922 -4.889116 -9.090832 1 646 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 95.31 -8.364437 -3.7946792 -8.736287 1 647 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 95.7 -8.711139 -2.8390713 -8.038248 1 648 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 96.09 -10.479828 -4.3081894 -9.949378 1 649 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 93.75 -11.504168 -5.318634 -10.43533 1 650 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 92.97 -10.929386 -6.1989098 -11.537547 1 651 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 91.41 -12.00713 -7.0840816 -12.156468 1 652 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 90.23 -11.454983 -7.917426 -13.230631 1 653 +ATOM N N . SER A0 1 86 . 86 SER A0 N 96.88 -7.127448 -3.9293084 -9.178336 1 654 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 96.48 -6.078755 -2.9710996 -8.857813 1 655 +ATOM C C . SER A0 1 86 . 86 SER A0 C 96.48 -5.604414 -2.2369885 -10.102913 1 656 +ATOM O O . SER A0 1 86 . 86 SER A0 O 96.09 -5.497468 -2.8267884 -11.184643 1 657 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 94.92 -4.8800626 -3.6678414 -8.208938 1 658 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 91.41 -5.162674 -4.051484 -6.8702455 1 659 +ATOM N N . THR A0 1 87 . 87 THR A0 N 95.31 -5.3434715 -0.96171236 -9.948142 1 660 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 94.92 -4.6841545 -0.17117298 -10.979327 1 661 +ATOM C C . THR A0 1 87 . 87 THR A0 C 94.92 -3.565552 0.61491716 -10.31773 1 662 +ATOM O O . THR A0 1 87 . 87 THR A0 O 94.92 -3.7803602 1.2397095 -9.276967 1 663 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 94.92 -5.6524925 0.8023246 -11.677586 1 664 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 92.58 -6.804988 0.097891234 -12.13913 1 665 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 93.75 -4.96578 1.4604847 -12.874363 1 666 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 95.7 -2.3876777 0.56658185 -10.909214 1 667 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 94.53 -1.2413962 1.2817307 -10.361112 1 668 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 94.53 -0.72560143 2.2503355 -11.415162 1 669 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 94.53 -0.516954 1.8758221 -12.566828 1 670 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 95.31 -0.12919325 0.31780928 -9.91504 1 671 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 95.7 -0.6897625 -0.69032586 -8.903387 1 672 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 96.09 1.0388529 1.0946558 -9.313282 1 673 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 91.41 0.31219882 -1.7195954 -8.413655 1 674 +ATOM N N . THR A0 1 89 . 89 THR A0 N 94.92 -0.5538648 3.4915848 -10.996889 1 675 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 94.53 -0.07954939 4.55198 -11.878151 1 676 +ATOM C C . THR A0 1 89 . 89 THR A0 C 94.14 1.112164 5.2547235 -11.239654 1 677 +ATOM O O . THR A0 1 89 . 89 THR A0 O 94.53 1.4400408 5.0248694 -10.07071 1 678 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 94.14 -1.1901388 5.58694 -12.165573 1 679 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 92.58 -1.6908052 6.085463 -10.935521 1 680 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 92.97 -2.327986 4.9478006 -12.959076 1 681 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 95.7 1.7477485 6.0973287 -12.013393 1 682 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 95.31 2.8397572 6.916896 -11.52133 1 683 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 94.92 2.3584957 8.356859 -11.4631 1 684 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 94.14 1.9222732 8.906374 -12.4804735 1 685 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 94.53 4.0432196 6.78591 -12.452347 1 686 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 93.36 5.4458466 7.0184374 -11.908834 1 687 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 92.97 6.4410377 6.6733723 -12.997499 1 688 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 92.19 5.708686 6.224286 -10.652713 1 689 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 95.31 2.3782687 8.948403 -10.266369 1 690 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 94.53 1.9155303 10.319111 -10.038133 1 691 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 94.14 3.0395126 11.101702 -9.376003 1 692 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 92.97 3.2731986 10.991924 -8.176937 1 693 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 93.75 0.6612968 10.317124 -9.154883 1 694 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 92.58 0.21851285 11.723286 -8.779227 1 695 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 91.41 0.5297962 12.673935 -9.53873 1 696 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 90.62 -0.4438585 11.883797 -7.731555 1 697 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 94.92 3.761683 11.891109 -10.179947 1 698 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 94.14 4.8427577 12.6856 -9.630998 1 699 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 94.92 5.90592 11.841605 -8.947054 1 700 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 94.14 6.393917 12.224258 -7.8696833 1 701 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 94.14 6.27664 10.740475 -9.526276 1 702 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 94.53 7.2990313 9.866701 -8.967781 1 703 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 95.31 6.7987256 8.914209 -7.904555 1 704 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 94.92 7.593298 8.125306 -7.3779006 1 705 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 94.14 5.521449 8.969573 -7.57459 1 706 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 94.92 4.933221 8.107004 -6.5595617 1 707 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 94.92 4.0942216 7.027983 -7.2384276 1 708 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 95.31 3.244112 7.335361 -8.080086 1 709 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 94.14 4.053645 8.918865 -5.579417 1 710 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 93.75 3.41435 7.9966908 -4.5461464 1 711 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 93.75 4.8756285 10.01033 -4.9038887 1 712 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 95.31 4.326598 5.774091 -6.8642654 1 713 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 95.31 3.489768 4.6853666 -7.3447876 1 714 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 95.31 2.1754785 4.7010117 -6.56833 1 715 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 94.92 2.1761196 4.5705833 -5.34208 1 716 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 94.92 4.188994 3.340479 -7.164125 1 717 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 94.14 5.2882695 2.997354 -8.153387 1 718 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 93.36 6.050352 1.7624454 -7.6862197 1 719 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 93.36 4.6924706 2.7405658 -9.538004 1 720 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 94.92 1.0813322 4.874874 -7.274487 1 721 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 94.53 -0.2311176 4.9836526 -6.6429024 1 722 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 94.14 -1.0906593 3.7975497 -7.059124 1 723 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 94.14 -1.4129775 3.6282473 -8.237817 1 724 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 94.14 -0.9329175 6.301715 -7.03271 1 725 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 93.36 -2.2981472 6.382826 -6.3668346 1 726 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 93.75 -0.06600395 7.497323 -6.656885 1 727 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 96.48 -1.4670794 2.989332 -6.0667043 1 728 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 95.7 -2.2854123 1.8133678 -6.295743 1 729 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 94.14 -3.6793413 2.0290527 -5.739189 1 730 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 92.19 -3.8369586 2.3877394 -4.569848 1 731 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 93.36 -1.6480896 0.58907723 -5.6386156 1 732 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 94.53 -2.4978116 -0.67177415 -5.732565 1 733 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 97.66 -1.8700812 -1.839196 -5.0067525 1 734 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 92.19 -0.93586683 -1.6802511 -4.2254987 1 735 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 92.58 -2.394678 -3.0403018 -5.24745 1 736 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 96.09 -4.676939 1.8303692 -6.569356 1 737 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 95.7 -6.0637245 1.8668656 -6.1161766 1 738 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 95.31 -6.6398215 0.4659685 -6.2394285 1 739 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 95.7 -6.5506954 -0.1631518 -7.299516 1 740 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 94.92 -6.9065394 2.8611 -6.942783 1 741 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 92.97 -8.349785 2.8643422 -6.442037 1 742 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 92.19 -6.306553 4.259021 -6.85961 1 743 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 96.48 -7.1945534 -0.029656919 -5.1326885 1 744 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 96.09 -7.870106 -1.3190749 -5.1056757 1 745 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 94.92 -9.367464 -1.0889102 -4.994716 1 746 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 92.97 -9.813801 -0.29222286 -4.162422 1 747 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 93.75 -7.4116697 -2.166154 -3.9190784 1 748 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 95.31 -5.9464135 -2.5578237 -3.9571853 1 749 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 98.44 -5.5291486 -3.3046322 -2.7102058 1 750 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 94.14 -6.1701784 -3.2051888 -1.6613626 1 751 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 94.92 -4.4247875 -4.0512576 -2.7907407 1 752 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 95.7 -10.139875 -1.7858785 -5.802126 1 753 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 95.31 -11.596933 -1.6787481 -5.764208 1 754 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 94.53 -12.209932 -3.055869 -5.571997 1 755 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 94.92 -11.811575 -4.0114307 -6.2501993 1 756 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 95.31 -12.135872 -1.0443219 -7.058652 1 757 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 93.75 -11.643108 0.36949444 -7.316257 1 758 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 91.8 -12.226927 0.9085987 -8.616271 1 759 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 91.41 -11.745665 2.3281877 -8.897661 1 760 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 89.84 -12.265681 2.8360682 -10.19653 1 761 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 96.48 -13.170047 -3.1397362 -4.664367 1 762 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 95.31 -13.896689 -4.38498 -4.4272842 1 763 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 94.14 -15.203116 -4.081938 -3.6936014 1 764 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 92.97 -15.254046 -3.2225704 -2.8134518 1 765 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 93.75 -13.044734 -5.3817215 -3.6270895 1 766 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 95.31 -12.958813 -5.0786 -2.1538122 1 767 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 96.48 -13.636391 -5.743744 -1.1529348 1 768 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 96.88 -12.22922 -4.0425196 -1.5044315 1 769 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 97.27 -13.341597 -5.1809196 0.06902112 1 770 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 96.88 -12.474072 -4.134795 -0.13198446 1 771 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 95.7 -11.362076 -3.0417871 -1.9870884 1 772 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 97.27 -11.895896 -3.2618802 0.7972687 1 773 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 96.88 -10.781797 -2.1861076 -1.066144 1 774 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 97.27 -11.048588 -2.3037238 0.2965356 1 775 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 96.09 -16.252907 -4.7749395 -4.02849 1 776 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 95.31 -17.54597 -4.686849 -3.3407283 1 777 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 94.53 -17.98129 -3.2398558 -3.0834806 1 778 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 92.97 -18.516064 -2.922259 -2.018046 1 779 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 94.92 -17.498814 -5.445691 -2.0039907 1 780 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 92.97 -17.281834 -6.9323354 -2.1783547 1 781 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 91.8 -17.705557 -7.4789 -3.230578 1 782 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 91.8 -16.700382 -7.564269 -1.2804341 1 783 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 94.53 -17.782648 -2.3579736 -4.035973 1 784 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 94.92 -18.166018 -0.9643786 -3.8923178 1 785 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 95.31 -17.271032 -0.1505267 -2.9903288 1 786 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 94.14 -17.587912 0.9965145 -2.6873713 1 787 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 95.31 -16.16534 -0.74531776 -2.5375876 1 788 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 94.92 -15.21548 -0.062326495 -1.6674366 1 789 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 94.53 -13.934282 0.24337476 -2.427458 1 790 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 94.14 -13.694319 -0.28876492 -3.5173268 1 791 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 94.53 -14.897771 -0.9259255 -0.4388659 1 792 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 94.14 -16.112053 -1.3656805 0.35875 1 793 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 94.53 -15.719418 -2.417739 1.3853021 1 794 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 93.36 -16.944294 -3.076682 2.0079536 1 795 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 91.8 -16.546312 -4.19654 2.8930335 1 796 +ATOM N N . SER A0 1 105 . 105 SER A0 N 95.7 -13.10956 1.0921563 -1.8244567 1 797 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 95.7 -11.850934 1.4624639 -2.4507341 1 798 +ATOM C C . SER A0 1 105 . 105 SER A0 C 95.7 -10.812792 1.7941666 -1.3903443 1 799 +ATOM O O . SER A0 1 105 . 105 SER A0 O 94.92 -11.143432 2.3468242 -0.336348 1 800 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 94.14 -12.062466 2.6654382 -3.3793068 1 801 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 92.19 -10.842414 3.1106544 -3.9435022 1 802 +ATOM N N . THR A0 1 106 . 106 THR A0 N 95.31 -9.571349 1.4450842 -1.6494795 1 803 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 95.31 -8.461481 1.8401682 -0.78808534 1 804 +ATOM C C . THR A0 1 106 . 106 THR A0 C 94.92 -7.2872257 2.2171795 -1.675632 1 805 +ATOM O O . THR A0 1 106 . 106 THR A0 O 94.92 -7.136627 1.6825103 -2.7868865 1 806 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 94.14 -8.0679035 0.71979487 0.2053584 1 807 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 93.36 -7.0869055 1.2095852 1.1296756 1 808 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 94.92 -7.4955997 -0.4973078 -0.52228606 1 809 +ATOM N N . THR A0 1 107 . 107 THR A0 N 95.31 -6.4588842 3.1502967 -1.2027197 1 810 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 94.53 -5.320201 3.6124969 -1.9824259 1 811 +ATOM C C . THR A0 1 107 . 107 THR A0 C 94.53 -4.022977 3.3632798 -1.218635 1 812 +ATOM O O . THR A0 1 107 . 107 THR A0 O 94.53 -3.93607 3.6367536 -0.01569973 1 813 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 94.53 -5.4434347 5.1126018 -2.3191597 1 814 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 92.58 -6.584873 5.3114395 -3.1521442 1 815 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 93.75 -4.2002964 5.6068687 -3.0686784 1 816 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 95.7 -3.035584 2.838318 -1.9250162 1 817 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 94.53 -1.713886 2.5847893 -1.3670218 1 818 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 93.75 -0.6878314 3.3377237 -2.2112184 1 819 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 93.75 -0.59981203 3.1207695 -3.4260995 1 820 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 94.53 -1.3909185 1.0791122 -1.3660274 1 821 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 94.92 -2.4377623 0.30247766 -0.5559901 1 822 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 96.09 0.013482878 0.8333603 -0.8278477 1 823 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 92.19 -2.4811225 -1.1809796 -0.899817 1 824 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 94.92 0.05262088 4.2355723 -1.5643704 1 825 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 94.53 1.090705 4.9979053 -2.256176 1 826 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 93.75 2.4615536 4.5254908 -1.8041433 1 827 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 94.14 2.6946242 4.3421597 -0.59971607 1 828 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 94.53 0.94149816 6.5014815 -1.98187 1 829 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 94.53 -0.31328517 7.1178145 -2.5667725 1 830 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 93.75 -0.36222917 8.615132 -2.256311 1 831 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 92.19 -1.5673445 9.273108 -2.9267755 1 832 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 91.02 -1.6104276 10.721295 -2.6477633 1 833 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 96.09 3.3568435 4.3432317 -2.756409 1 834 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 95.31 4.7221026 3.9337592 -2.4651747 1 835 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 94.92 5.6658363 4.972335 -3.030162 1 836 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 94.14 5.587804 5.3183894 -4.2164545 1 837 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 94.53 5.0124106 2.5557318 -3.0679207 1 838 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 94.53 4.130726 1.4470166 -2.5013404 1 839 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 93.75 4.4007587 0.09933939 -3.1694403 1 840 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 91.8 3.6480966 -1.0016997 -2.5481348 1 841 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 91.8 2.421245 -1.3776968 -2.9304504 1 842 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 91.02 1.7911315 -0.74191105 -3.9243002 1 843 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 91.02 1.8098147 -2.3718276 -2.30727 1 844 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 96.48 6.5497265 5.5040007 -2.193892 1 845 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 96.09 7.4742804 6.54286 -2.6246333 1 846 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 96.09 8.843601 6.341315 -2.0063052 1 847 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 95.31 8.982575 5.7145834 -0.9505137 1 848 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 95.7 6.9413066 7.93081 -2.2365432 1 849 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 91.8 6.934384 8.193009 -0.7259345 1 850 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 90.62 6.5080953 9.627092 -0.42411327 1 851 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 89.06 6.4768114 9.8577175 1.0865552 1 852 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 87.89 6.1389375 11.256449 1.4176759 1 853 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 95.7 9.833626 6.8747587 -2.6713414 1 854 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 94.92 11.171753 6.911935 -2.099082 1 855 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 94.53 11.325543 8.19942 -1.3049407 1 856 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 93.36 10.974315 9.284959 -1.7959173 1 857 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 94.53 12.232399 6.834614 -3.1985197 1 858 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 92.58 12.470308 5.4446774 -3.7737296 1 859 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 91.8 13.11536 4.512559 -2.749663 1 860 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 91.41 14.2254505 5.132479 -2.0307205 1 861 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 91.02 15.468223 5.217947 -2.4999743 1 862 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 90.23 15.764982 4.70662 -3.6809208 1 863 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 90.62 16.392757 5.8159065 -1.7600148 1 864 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 95.31 11.824346 8.0605545 -0.09325889 1 865 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 95.31 12.116117 9.205755 0.7577556 1 866 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 94.92 13.436036 8.918749 1.4606675 1 867 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 94.14 13.552901 7.9460206 2.2037709 1 868 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 94.14 10.985549 9.416843 1.7646575 1 869 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 92.97 11.236081 10.537579 2.7561696 1 870 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 92.97 10.116324 10.704636 3.749851 1 871 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 91.02 8.949923 10.847153 3.334738 1 872 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 90.62 10.389372 10.672195 4.969839 1 873 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 94.14 14.420173 9.77438 1.2044286 1 874 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 94.14 15.770053 9.505218 1.6755903 1 875 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 94.14 16.197771 8.118657 1.2033625 1 876 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 93.75 16.095661 7.821998 0.0150914155 1 877 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 93.75 15.859139 9.653002 3.2074828 1 878 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 92.97 15.571991 11.07521 3.6703386 1 879 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 91.8 15.804243 12.012658 2.8814778 1 880 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 91.41 15.120713 11.254568 4.8187447 1 881 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 94.53 16.656088 7.259268 2.1131706 1 882 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 94.92 17.040836 5.902814 1.7385083 1 883 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 95.31 15.930243 4.901004 2.0033917 1 884 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 94.92 16.175999 3.695344 2.0035334 1 885 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 94.53 18.30106 5.4738407 2.503539 1 886 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 94.14 19.525597 6.255193 2.0941546 1 887 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 92.58 19.732918 6.440413 0.8702228 1 888 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 92.58 20.28072 6.687136 2.985584 1 889 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 95.31 14.721136 5.388491 2.19046 1 890 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 95.31 13.61227 4.5321193 2.5911977 1 891 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 95.31 12.573113 4.405459 1.4815835 1 892 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 95.31 12.489714 5.249372 0.5756514 1 893 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 95.7 12.936658 5.0910087 3.8576732 1 894 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 94.53 13.905406 5.370677 4.986185 1 895 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 94.14 13.189438 5.9274898 6.2355237 1 896 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 92.19 12.406278 7.206006 5.973873 1 897 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 90.23 13.242493 8.3138275 5.399097 1 898 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 96.09 11.793005 3.3582788 1.573531 1 899 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 96.09 10.603432 3.2017922 0.7620368 1 900 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 96.48 9.425507 3.347462 1.7096825 1 901 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 96.48 9.2538595 2.541807 2.6276722 1 902 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 95.7 10.589079 1.832207 0.07278183 1 903 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 94.53 9.605399 1.6016943 -1.0732727 1 904 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 94.14 9.990943 0.33268565 -1.8295178 1 905 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 94.14 8.171236 1.5130007 -0.59886754 1 906 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 95.31 8.64716 4.3978615 1.5191159 1 907 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 94.92 7.541306 4.710182 2.416501 1 908 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 94.53 6.225151 4.332806 1.7460495 1 909 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 94.53 5.958001 4.7419815 0.60819405 1 910 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 94.53 7.5370493 6.2020855 2.8030677 1 911 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 93.75 6.389839 6.5000963 3.7492862 1 912 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 94.14 8.877073 6.5769854 3.4423826 1 913 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 95.7 5.4354973 3.5488021 2.4739237 1 914 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 94.92 4.1541176 3.0821319 1.974185 1 915 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 94.53 3.0485103 3.715783 2.803157 1 916 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 94.53 3.0088074 3.5528436 4.0271955 1 917 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 94.14 4.055009 1.5378368 2.059671 1 918 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 93.36 2.7449937 1.0595251 1.4467168 1 919 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 94.14 5.2435675 0.8765154 1.373175 1 920 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 96.88 2.1642337 4.45826 2.1494954 1 921 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 96.88 1.033941 5.076268 2.8248796 1 922 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 96.88 -0.25165093 4.429456 2.3353457 1 923 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 96.09 -0.5260911 4.402902 1.1313006 1 924 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 95.7 0.9955514 6.5799365 2.5637116 1 925 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 91.41 -0.14056227 7.2839694 3.3207946 1 926 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 89.84 -0.3812597 8.6990185 2.8340797 1 927 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 89.45 -0.13990436 9.646854 3.6214166 1 928 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 89.06 -0.82148266 8.867476 1.6824467 1 929 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 96.09 -1.0158254 3.884574 3.26982 1 930 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 95.7 -2.2573593 3.1879277 2.9619184 1 931 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 95.7 -3.4282112 3.9571676 3.5404878 1 932 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 94.92 -3.3986769 4.327335 4.7105627 1 933 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 94.92 -2.2432866 1.7806797 3.558156 1 934 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 92.58 -0.7252031 0.9135783 3.3488061 1 935 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 95.7 -4.453538 4.1923413 2.7474427 1 936 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 95.31 -5.6095014 4.9634943 3.197803 1 937 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 94.53 -6.895048 4.1910887 2.9159489 1 938 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 94.14 -7.105692 3.7059762 1.7989762 1 939 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 94.92 -5.6716104 6.3463945 2.5117102 1 940 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 93.36 -6.9095 7.105919 2.9637208 1 941 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 92.97 -4.419357 7.142553 2.8050432 1 942 +ATOM N N . MET A0 1 123 . 123 MET A0 N 96.09 -7.7288513 4.086793 3.9449987 1 943 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 94.92 -9.041183 3.4591842 3.830802 1 944 +ATOM C C . MET A0 1 123 . 123 MET A0 C 92.97 -10.032605 4.268494 4.6516185 1 945 +ATOM O O . MET A0 1 123 . 123 MET A0 O 89.84 -9.935349 4.309124 5.8750305 1 946 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 94.53 -8.989007 2.0201118 4.3206186 1 947 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 94.14 -10.345864 1.3176668 4.3610873 1 948 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 95.31 -10.960094 1.0264192 2.6975503 1 949 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 93.36 -12.598875 0.3756538 3.0521412 1 950 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 96.09 -10.941726 4.920948 3.9998193 1 951 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 94.92 -12.034473 5.658572 4.639553 1 952 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 93.36 -11.557453 6.5253253 5.798134 1 953 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 91.8 -12.08267 6.4526644 6.904793 1 954 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 94.14 -13.1075535 4.6708975 5.124861 1 955 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 93.36 -13.724823 3.8695655 3.9838839 1 956 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 92.19 -14.87358 2.9842567 4.4442167 1 957 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 91.41 -14.538647 2.1785266 5.6742563 1 958 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 90.62 -15.601122 1.1733255 5.987398 1 959 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 94.92 -10.551532 7.3591623 5.556945 1 960 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 95.31 -10.069311 8.30947 6.5530186 1 961 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 95.7 -8.967773 7.813483 7.449948 1 962 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 94.53 -8.315063 8.6215515 8.127447 1 963 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 94.14 -8.742728 6.5051847 7.4852552 1 964 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 94.92 -7.673155 5.945874 8.3086 1 965 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 94.92 -6.411744 5.8174396 7.46148 1 966 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 94.14 -6.4412093 5.233184 6.3692946 1 967 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 94.14 -8.069807 4.5711403 8.881156 1 968 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 93.36 -6.8885098 3.9365783 9.6041565 1 969 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 93.36 -9.256775 4.717782 9.819323 1 970 +ATOM N N . THR A0 1 127 . 127 THR A0 N 95.31 -5.31341 6.3669367 7.9689474 1 971 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 95.31 -4.04288 6.3297586 7.25776 1 972 +ATOM C C . THR A0 1 127 . 127 THR A0 C 95.7 -3.0298123 5.5009985 8.032698 1 973 +ATOM O O . THR A0 1 127 . 127 THR A0 O 94.92 -2.8242176 5.7020807 9.227896 1 974 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 94.92 -3.485651 7.7479763 7.042644 1 975 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 92.58 -4.393749 8.503504 6.2494545 1 976 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 92.58 -2.1316657 7.6947412 6.337428 1 977 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 95.7 -2.417447 4.5726986 7.34092 1 978 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 96.09 -1.339641 3.7553864 7.883913 1 979 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 96.09 -0.05907403 4.094651 7.133101 1 980 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 95.31 -0.09322177 4.2945175 5.9165354 1 981 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 94.92 -1.6742322 2.2757344 7.712166 1 982 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 92.58 -0.29564574 1.1471939 7.9577613 1 983 +ATOM N N . THR A0 1 129 . 129 THR A0 N 95.7 1.0573292 4.1756835 7.858743 1 984 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 95.31 2.3460102 4.4010353 7.2269917 1 985 +ATOM C C . THR A0 1 129 . 129 THR A0 C 95.31 3.2836466 3.2500372 7.5781317 1 986 +ATOM O O . THR A0 1 129 . 129 THR A0 O 95.31 3.4588163 2.921018 8.757055 1 987 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 94.92 2.9730515 5.73337 7.677494 1 988 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 93.75 2.0971496 6.804698 7.342907 1 989 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 94.92 4.316659 5.948936 6.9821377 1 990 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 96.09 3.8843422 2.6766813 6.5551605 1 991 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 95.7 4.836504 1.581296 6.741687 1 992 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 95.7 6.1375065 1.9334793 6.038521 1 993 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 94.53 6.1247625 2.373745 4.8727894 1 994 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 95.31 4.2576 0.2625492 6.234576 1 995 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 94.92 3.1879258 -0.26416397 7.191038 1 996 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 94.92 2.2681072 -1.2658653 6.591003 1 997 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 94.14 2.8532274 -2.5720477 6.276763 1 998 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 94.14 3.0603757 -3.5518825 7.1632924 1 999 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 93.36 2.7825058 -3.3639135 8.452738 1 1000 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 92.97 3.5508733 -4.7077084 6.7599554 1 1001 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 95.7 7.227311 1.7892547 6.7601094 1 1002 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 95.7 8.529399 2.2271488 6.2790704 1 1003 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 95.31 9.440135 1.0273342 6.0538425 1 1004 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 95.31 9.587752 0.17377633 6.934985 1 1005 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 95.31 9.190119 3.2156718 7.2598543 1 1006 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 93.75 10.558571 3.6453047 6.7513604 1 1007 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 94.14 8.294872 4.4314623 7.471302 1 1008 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 96.09 10.036686 1.0048034 4.876196 1 1009 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 95.31 10.967926 -0.04531139 4.5016513 1 1010 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 94.53 12.357333 0.5375352 4.276009 1 1011 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 93.36 12.503719 1.6741734 3.818024 1 1012 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 94.14 10.513948 -0.73412657 3.211107 1 1013 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 96.09 9.294287 -1.601698 3.3497944 1 1014 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 96.48 8.020184 -1.0478289 3.4614697 1 1015 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 96.09 9.40093 -2.9888701 3.3822186 1 1016 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 96.48 6.900014 -1.8501008 3.5949163 1 1017 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 96.48 8.289432 -3.802746 3.5070777 1 1018 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 96.09 7.043352 -3.2250304 3.6127625 1 1019 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 96.48 5.9415493 -4.0134954 3.7435918 1 1020 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 96.09 13.375643 -0.23760596 4.596102 1 1021 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 95.7 14.753174 0.09957956 4.2864556 1 1022 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 95.31 15.365852 -1.0148674 3.4544683 1 1023 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 94.53 14.855705 -2.1269498 3.4173636 1 1024 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 95.31 15.55088 0.3266808 5.569787 1 1025 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 93.75 15.108705 1.5690111 6.324402 1 1026 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 94.14 15.848043 1.783891 7.6241617 1 1027 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 92.58 15.582732 2.8092628 8.285611 1 1028 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 92.58 16.689024 0.93381345 7.996823 1 1029 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 96.48 16.461926 -0.6975235 2.7851467 1 1030 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 95.7 17.094795 -1.7125661 1.9411793 1 1031 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 94.14 17.57362 -2.880825 2.784377 1 1032 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 92.19 18.132507 -2.6934211 3.859435 1 1033 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 95.31 18.251421 -1.0974686 1.1565874 1 1034 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 93.75 17.759743 -0.15059644 0.065846935 1 1035 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 93.75 18.767405 0.015305815 -1.0546432 1 1036 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 93.36 18.277811 0.9667572 -2.0633812 1 1037 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 92.58 17.559742 0.6209706 -3.1317635 1 1038 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 92.19 17.16106 1.5650806 -3.9786072 1 1039 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 92.19 17.244225 -0.6540056 -3.3564067 1 1040 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 96.09 17.30175 -4.0713396 2.293827 1 1041 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 94.92 17.672085 -5.277643 2.999698 1 1042 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 93.75 19.147598 -5.593042 2.7577202 1 1043 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 93.36 19.819965 -4.9228234 1.986996 1 1044 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 94.53 16.789429 -6.4532146 2.5812504 1 1045 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 92.19 19.66915 -6.5253644 3.37215 1 1046 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 91.8 18.977383 5.489238 -3.9962716 1 1047 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 91.41 18.534988 4.927407 -5.2899513 1 1048 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 92.58 19.157436 7.1832128 -4.1554327 1 1049 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 92.58 20.444016 4.7246704 -3.5277388 1 1050 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 91.41 1.2880569 -6.3554063 -2.5434923 1 1051 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 91.41 0.891907 -5.6930566 -1.2915893 1 1052 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 92.19 2.7661862 -7.2163873 -2.3014038 1 1053 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 92.58 1.5012255 -5.154567 -3.7580051 1 1054 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 91.41 -0.94072175 -10.654977 -10.302682 1 1055 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 91.41 -0.22714059 -10.041983 -11.420668 1 1056 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 91.8 -2.5967736 -10.851631 -10.740289 1 1057 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 92.58 -0.22596431 -12.189759 -9.953056 1 1058 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 95.31 0.9388843 -6.4376135 3.808142 1 1059 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 96.09 -0.38536602 -5.958395 3.5678601 1 1060 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 95.31 -0.5920797 -4.736139 3.0477753 1 1061 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 95.31 0.4258534 -3.905684 2.7460423 1 1062 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 95.31 1.7683494 -4.3105984 2.9912386 1 1063 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 95.7 1.9913982 -5.577076 3.5119882 1 1064 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 94.14 -3.6821337 -6.8385587 4.7483044 1 1065 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 94.53 2.9363642 -3.428545 2.6906874 1 1066 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 94.92 1.2045301 -7.7824135 4.339157 1 1067 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 94.53 1.162982 -8.00596 5.703781 1 1068 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 94.53 1.4498737 -9.2927685 6.2077074 1 1069 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 94.53 1.822445 -10.336884 5.3349824 1 1070 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 94.53 1.8794411 -10.078727 3.946291 1 1071 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 94.92 1.5896945 -8.802454 3.4569712 1 1072 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 95.31 -1.4481087 -6.710224 3.869885 1 1073 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 94.53 0.07230209 -2.5364354 2.1828628 1 1074 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 94.14 0.72485703 -1.5970559 2.7925944 1 1075 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 94.14 0.35076982 -2.5195312 0.8889903 1 1076 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 94.53 -1.2096066 -2.2943192 2.3483868 1 1077 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 94.92 -2.762575 -6.0774794 3.83829 1 1078 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 94.53 -3.2012868 -6.8575153 5.962411 1 1079 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 94.53 -3.767547 -8.071052 4.3268948 1 1080 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 94.14 -4.871453 -6.2791896 4.7419176 1 1081 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 94.92 3.2695415 -3.2340686 1.5068549 1 1082 +HETATM O O19 . MQF E0 3 1 . 1 MQF E0 O19 94.53 3.5517256 -2.9430268 3.6756732 1 1083 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..d1d8b20881160be5a5f9cb8be0e5373e502feb4f --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/7fwf-assembly1/seed_42/predictions/7fwf-assembly1_seed_42_sample_4_postprocessed.cif @@ -0,0 +1,1410 @@ +data_7fwf-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 7fwf-assembly1 +# +_entity_poly.entity_id 1 +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n SER 2 +1 n HIS 3 +1 n MET 4 +1 n CYS 5 +1 n ASP 6 +1 n ALA 7 +1 n PHE 8 +1 n VAL 9 +1 n GLY 10 +1 n THR 11 +1 n TRP 12 +1 n LYS 13 +1 n LEU 14 +1 n VAL 15 +1 n SER 16 +1 n SER 17 +1 n GLU 18 +1 n ASN 19 +1 n PHE 20 +1 n ASP 21 +1 n ASP 22 +1 n TYR 23 +1 n MET 24 +1 n LYS 25 +1 n GLU 26 +1 n LEU 27 +1 n GLY 28 +1 n VAL 29 +1 n GLY 30 +1 n PHE 31 +1 n ALA 32 +1 n THR 33 +1 n ARG 34 +1 n LYS 35 +1 n MET 36 +1 n GLY 37 +1 n GLY 38 +1 n MET 39 +1 n ALA 40 +1 n LYS 41 +1 n PRO 42 +1 n ASN 43 +1 n CYS 44 +1 n ILE 45 +1 n ILE 46 +1 n SER 47 +1 n VAL 48 +1 n ASN 49 +1 n GLY 50 +1 n ASP 51 +1 n VAL 52 +1 n ILE 53 +1 n THR 54 +1 n ILE 55 +1 n LYS 56 +1 n THR 57 +1 n GLU 58 +1 n SER 59 +1 n THR 60 +1 n LEU 61 +1 n LYS 62 +1 n ASN 63 +1 n THR 64 +1 n GLU 65 +1 n ILE 66 +1 n SER 67 +1 n PHE 68 +1 n ILE 69 +1 n LEU 70 +1 n GLY 71 +1 n GLN 72 +1 n GLU 73 +1 n PHE 74 +1 n ASP 75 +1 n GLU 76 +1 n VAL 77 +1 n THR 78 +1 n ALA 79 +1 n ASP 80 +1 n ASP 81 +1 n ARG 82 +1 n LYS 83 +1 n VAL 84 +1 n LYS 85 +1 n SER 86 +1 n THR 87 +1 n ILE 88 +1 n THR 89 +1 n LEU 90 +1 n ASP 91 +1 n GLY 92 +1 n GLY 93 +1 n VAL 94 +1 n LEU 95 +1 n VAL 96 +1 n GLN 97 +1 n VAL 98 +1 n GLN 99 +1 n LYS 100 +1 n TRP 101 +1 n ASP 102 +1 n GLY 103 +1 n LYS 104 +1 n SER 105 +1 n THR 106 +1 n THR 107 +1 n ILE 108 +1 n LYS 109 +1 n ARG 110 +1 n LYS 111 +1 n ARG 112 +1 n GLU 113 +1 n ASP 114 +1 n ASP 115 +1 n LYS 116 +1 n LEU 117 +1 n VAL 118 +1 n VAL 119 +1 n GLU 120 +1 n CYS 121 +1 n VAL 122 +1 n MET 123 +1 n LYS 124 +1 n GLY 125 +1 n VAL 126 +1 n THR 127 +1 n CYS 128 +1 n THR 129 +1 n ARG 130 +1 n VAL 131 +1 n TYR 132 +1 n GLU 133 +1 n ARG 134 +1 n ALA 135 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLY SER 1 2 C N . . +2 covale sing A0 A0 SER HIS 2 3 C N . . +3 covale sing A0 A0 HIS MET 3 4 C N . . +4 covale sing A0 A0 MET CYS 4 5 C N . . +5 covale sing A0 A0 CYS ASP 5 6 C N . . +6 covale sing A0 A0 ASP ALA 6 7 C N . . +7 covale sing A0 A0 ALA PHE 7 8 C N . . +8 covale sing A0 A0 PHE VAL 8 9 C N . . +9 covale sing A0 A0 VAL GLY 9 10 C N . . +10 covale sing A0 A0 GLY THR 10 11 C N . . +11 covale sing A0 A0 THR TRP 11 12 C N . . +12 covale sing A0 A0 TRP LYS 12 13 C N . . +13 covale sing A0 A0 LYS LEU 13 14 C N . . +14 covale sing A0 A0 LEU VAL 14 15 C N . . +15 covale sing A0 A0 VAL SER 15 16 C N . . +16 covale sing A0 A0 SER SER 16 17 C N . . +17 covale sing A0 A0 SER GLU 17 18 C N . . +18 covale sing A0 A0 GLU ASN 18 19 C N . . +19 covale sing A0 A0 ASN PHE 19 20 C N . . +20 covale sing A0 A0 PHE ASP 20 21 C N . . +21 covale sing A0 A0 ASP ASP 21 22 C N . . +22 covale sing A0 A0 ASP TYR 22 23 C N . . +23 covale sing A0 A0 TYR MET 23 24 C N . . +24 covale sing A0 A0 MET LYS 24 25 C N . . +25 covale sing A0 A0 LYS GLU 25 26 C N . . +26 covale sing A0 A0 GLU LEU 26 27 C N . . +27 covale sing A0 A0 LEU GLY 27 28 C N . . +28 covale sing A0 A0 GLY VAL 28 29 C N . . +29 covale sing A0 A0 VAL GLY 29 30 C N . . +30 covale sing A0 A0 GLY PHE 30 31 C N . . +31 covale sing A0 A0 PHE ALA 31 32 C N . . +32 covale sing A0 A0 ALA THR 32 33 C N . . +33 covale sing A0 A0 THR ARG 33 34 C N . . +34 covale sing A0 A0 ARG LYS 34 35 C N . . +35 covale sing A0 A0 LYS MET 35 36 C N . . +36 covale sing A0 A0 MET GLY 36 37 C N . . +37 covale sing A0 A0 GLY GLY 37 38 C N . . +38 covale sing A0 A0 GLY MET 38 39 C N . . +39 covale sing A0 A0 MET ALA 39 40 C N . . +40 covale sing A0 A0 ALA LYS 40 41 C N . . +41 covale sing A0 A0 LYS PRO 41 42 C N . . +42 covale sing A0 A0 PRO ASN 42 43 C N . . +43 covale sing A0 A0 ASN CYS 43 44 C N . . +44 covale sing A0 A0 CYS ILE 44 45 C N . . +45 covale sing A0 A0 ILE ILE 45 46 C N . . +46 covale sing A0 A0 ILE SER 46 47 C N . . +47 covale sing A0 A0 SER VAL 47 48 C N . . +48 covale sing A0 A0 VAL ASN 48 49 C N . . +49 covale sing A0 A0 ASN GLY 49 50 C N . . +50 covale sing A0 A0 GLY ASP 50 51 C N . . +51 covale sing A0 A0 ASP VAL 51 52 C N . . +52 covale sing A0 A0 VAL ILE 52 53 C N . . +53 covale sing A0 A0 ILE THR 53 54 C N . . +54 covale sing A0 A0 THR ILE 54 55 C N . . +55 covale sing A0 A0 ILE LYS 55 56 C N . . +56 covale sing A0 A0 LYS THR 56 57 C N . . +57 covale sing A0 A0 THR GLU 57 58 C N . . +58 covale sing A0 A0 GLU SER 58 59 C N . . +59 covale sing A0 A0 SER THR 59 60 C N . . +60 covale sing A0 A0 THR LEU 60 61 C N . . +61 covale sing A0 A0 LEU LYS 61 62 C N . . +62 covale sing A0 A0 LYS ASN 62 63 C N . . +63 covale sing A0 A0 ASN THR 63 64 C N . . +64 covale sing A0 A0 THR GLU 64 65 C N . . +65 covale sing A0 A0 GLU ILE 65 66 C N . . +66 covale sing A0 A0 ILE SER 66 67 C N . . +67 covale sing A0 A0 SER PHE 67 68 C N . . +68 covale sing A0 A0 PHE ILE 68 69 C N . . +69 covale sing A0 A0 ILE LEU 69 70 C N . . +70 covale sing A0 A0 LEU GLY 70 71 C N . . +71 covale sing A0 A0 GLY GLN 71 72 C N . . +72 covale sing A0 A0 GLN GLU 72 73 C N . . +73 covale sing A0 A0 GLU PHE 73 74 C N . . +74 covale sing A0 A0 PHE ASP 74 75 C N . . +75 covale sing A0 A0 ASP GLU 75 76 C N . . +76 covale sing A0 A0 GLU VAL 76 77 C N . . +77 covale sing A0 A0 VAL THR 77 78 C N . . +78 covale sing A0 A0 THR ALA 78 79 C N . . +79 covale sing A0 A0 ALA ASP 79 80 C N . . +80 covale sing A0 A0 ASP ASP 80 81 C N . . +81 covale sing A0 A0 ASP ARG 81 82 C N . . +82 covale sing A0 A0 ARG LYS 82 83 C N . . +83 covale sing A0 A0 LYS VAL 83 84 C N . . +84 covale sing A0 A0 VAL LYS 84 85 C N . . +85 covale sing A0 A0 LYS SER 85 86 C N . . +86 covale sing A0 A0 SER THR 86 87 C N . . +87 covale sing A0 A0 THR ILE 87 88 C N . . +88 covale sing A0 A0 ILE THR 88 89 C N . . +89 covale sing A0 A0 THR LEU 89 90 C N . . +90 covale sing A0 A0 LEU ASP 90 91 C N . . +91 covale sing A0 A0 ASP GLY 91 92 C N . . +92 covale sing A0 A0 GLY GLY 92 93 C N . . +93 covale sing A0 A0 GLY VAL 93 94 C N . . +94 covale sing A0 A0 VAL LEU 94 95 C N . . +95 covale sing A0 A0 LEU VAL 95 96 C N . . +96 covale sing A0 A0 VAL GLN 96 97 C N . . +97 covale sing A0 A0 GLN VAL 97 98 C N . . +98 covale sing A0 A0 VAL GLN 98 99 C N . . +99 covale sing A0 A0 GLN LYS 99 100 C N . . +100 covale sing A0 A0 LYS TRP 100 101 C N . . +101 covale sing A0 A0 TRP ASP 101 102 C N . . +102 covale sing A0 A0 ASP GLY 102 103 C N . . +103 covale sing A0 A0 GLY LYS 103 104 C N . . +104 covale sing A0 A0 LYS SER 104 105 C N . . +105 covale sing A0 A0 SER THR 105 106 C N . . +106 covale sing A0 A0 THR THR 106 107 C N . . +107 covale sing A0 A0 THR ILE 107 108 C N . . +108 covale sing A0 A0 ILE LYS 108 109 C N . . +109 covale sing A0 A0 LYS ARG 109 110 C N . . +110 covale sing A0 A0 ARG LYS 110 111 C N . . +111 covale sing A0 A0 LYS ARG 111 112 C N . . +112 covale sing A0 A0 ARG GLU 112 113 C N . . +113 covale sing A0 A0 GLU ASP 113 114 C N . . +114 covale sing A0 A0 ASP ASP 114 115 C N . . +115 covale sing A0 A0 ASP LYS 115 116 C N . . +116 covale sing A0 A0 LYS LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL VAL 118 119 C N . . +119 covale sing A0 A0 VAL GLU 119 120 C N . . +120 covale sing A0 A0 GLU CYS 120 121 C N . . +121 covale sing A0 A0 CYS VAL 121 122 C N . . +122 covale sing A0 A0 VAL MET 122 123 C N . . +123 covale sing A0 A0 MET LYS 123 124 C N . . +124 covale sing A0 A0 LYS GLY 124 125 C N . . +125 covale sing A0 A0 GLY VAL 125 126 C N . . +126 covale sing A0 A0 VAL THR 126 127 C N . . +127 covale sing A0 A0 THR CYS 127 128 C N . . +128 covale sing A0 A0 CYS THR 128 129 C N . . +129 covale sing A0 A0 THR ARG 129 130 C N . . +130 covale sing A0 A0 ARG VAL 130 131 C N . . +131 covale sing A0 A0 VAL TYR 131 132 C N . . +132 covale sing A0 A0 TYR GLU 132 133 C N . . +133 covale sing A0 A0 GLU ARG 133 134 C N . . +134 covale sing A0 A0 ARG ALA 134 135 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLY A0 1 1 . 1 GLY A0 N 0 18.100857 1.8719242 -21.413738 1 1 1 +ATOM C CA . GLY A0 1 1 . 1 GLY A0 CA 0 18.09803 3.164897 -20.746632 1 2 1 +ATOM C C . GLY A0 1 1 . 1 GLY A0 C 0 17.46902 3.1015124 -19.369408 1 3 1 +ATOM O O . GLY A0 1 1 . 1 GLY A0 O 0 16.812607 2.1096888 -19.020697 1 4 1 +ATOM N N . SER A0 1 2 . 2 SER A0 N 0 17.667318 4.1359777 -18.592184 1 5 1 +ATOM C CA . SER A0 1 2 . 2 SER A0 CA 0 17.11529 4.2195854 -17.251827 1 6 1 +ATOM C C . SER A0 1 2 . 2 SER A0 C 0 15.6064205 4.421446 -17.292873 1 7 1 +ATOM O O . SER A0 1 2 . 2 SER A0 O 0 15.058192 4.9019394 -18.299932 1 8 1 +ATOM C CB . SER A0 1 2 . 2 SER A0 CB 0 17.777483 5.3611913 -16.477476 1 9 1 +ATOM O OG . SER A0 1 2 . 2 SER A0 OG 0 19.169785 5.16144 -16.337715 1 10 1 +ATOM N N . HIS A0 1 3 . 3 HIS A0 N 0 14.962408 4.038861 -16.221798 1 11 1 +ATOM C CA . HIS A0 1 3 . 3 HIS A0 CA 0 13.516794 4.2267046 -16.087618 1 12 1 +ATOM C C . HIS A0 1 3 . 3 HIS A0 C 0 13.222811 4.96214 -14.789316 1 13 1 +ATOM O O . HIS A0 1 3 . 3 HIS A0 O 0 13.97939 4.875964 -13.815198 1 14 1 +ATOM C CB . HIS A0 1 3 . 3 HIS A0 CB 0 12.789506 2.8823009 -16.098417 1 15 1 +ATOM C CG . HIS A0 1 3 . 3 HIS A0 CG 0 13.118607 2.0259707 -17.27741 1 16 1 +ATOM N ND1 . HIS A0 1 3 . 3 HIS A0 ND1 0 13.86248 0.88077164 -17.181599 1 17 1 +ATOM C CD2 . HIS A0 1 3 . 3 HIS A0 CD2 0 12.7888565 2.1532207 -18.577703 1 18 1 +ATOM C CE1 . HIS A0 1 3 . 3 HIS A0 CE1 0 13.99423 0.3350247 -18.371986 1 19 1 +ATOM N NE2 . HIS A0 1 3 . 3 HIS A0 NE2 0 13.347919 1.0938962 -19.244972 1 20 1 +ATOM N N . MET A0 1 4 . 4 MET A0 N 0 12.104561 5.6645613 -14.768701 1 21 1 +ATOM C CA . MET A0 1 4 . 4 MET A0 CA 0 11.66608 6.3734736 -13.569635 1 22 1 +ATOM C C . MET A0 1 4 . 4 MET A0 C 0 11.524734 5.4118214 -12.384306 1 23 1 +ATOM O O . MET A0 1 4 . 4 MET A0 O 0 11.878813 5.7607803 -11.25788 1 24 1 +ATOM C CB . MET A0 1 4 . 4 MET A0 CB 0 10.334066 7.082486 -13.856716 1 25 1 +ATOM C CG . MET A0 1 4 . 4 MET A0 CG 0 9.779503 7.8940306 -12.676352 1 26 1 +ATOM S SD . MET A0 1 4 . 4 MET A0 SD 0 10.544935 9.511606 -12.517683 1 27 1 +ATOM C CE . MET A0 1 4 . 4 MET A0 CE 0 9.987812 10.312513 -13.996408 1 28 1 +ATOM N N . CYS A0 1 5 . 5 CYS A0 N 0 11.03421 4.2149143 -12.64334 1 29 1 +ATOM C CA . CYS A0 1 5 . 5 CYS A0 CA 0 10.780245 3.246761 -11.581104 1 30 1 +ATOM C C . CYS A0 1 5 . 5 CYS A0 C 0 12.042212 2.587843 -11.026524 1 31 1 +ATOM O O . CYS A0 1 5 . 5 CYS A0 O 0 11.95539 1.8141474 -10.0748825 1 32 1 +ATOM C CB . CYS A0 1 5 . 5 CYS A0 CB 0 9.813337 2.1727586 -12.065877 1 33 1 +ATOM S SG . CYS A0 1 5 . 5 CYS A0 SG 0 8.107943 2.7544427 -12.108374 1 34 1 +ATOM N N . ASP A0 1 6 . 6 ASP A0 N 0 13.2017975 2.9085777 -11.582184 1 35 1 +ATOM C CA . ASP A0 1 6 . 6 ASP A0 CA 0 14.450899 2.3334284 -11.09281 1 36 1 +ATOM C C . ASP A0 1 6 . 6 ASP A0 C 0 14.676842 2.6204004 -9.61084 1 37 1 +ATOM O O . ASP A0 1 6 . 6 ASP A0 O 0 15.310409 1.8218756 -8.917779 1 38 1 +ATOM C CB . ASP A0 1 6 . 6 ASP A0 CB 0 15.63851 2.8640094 -11.898027 1 39 1 +ATOM C CG . ASP A0 1 6 . 6 ASP A0 CG 0 15.712197 2.2820818 -13.293027 1 40 1 +ATOM O OD1 . ASP A0 1 6 . 6 ASP A0 OD1 0 14.900656 1.3843845 -13.622705 1 41 1 +ATOM O OD2 . ASP A0 1 6 . 6 ASP A0 OD2 0 16.594326 2.7141175 -14.065937 1 42 1 +ATOM N N . ALA A0 1 7 . 7 ALA A0 N 0 14.179574 3.7580843 -9.120222 1 43 1 +ATOM C CA . ALA A0 1 7 . 7 ALA A0 CA 0 14.383467 4.1385 -7.7258224 1 44 1 +ATOM C C . ALA A0 1 7 . 7 ALA A0 C 0 13.684317 3.1982393 -6.74915 1 45 1 +ATOM O O . ALA A0 1 7 . 7 ALA A0 O 0 14.032515 3.1708434 -5.564275 1 46 1 +ATOM C CB . ALA A0 1 7 . 7 ALA A0 CB 0 13.907026 5.570742 -7.49077 1 47 1 +ATOM N N . PHE A0 1 8 . 8 PHE A0 N 0 12.709583 2.4424856 -7.2171993 1 48 1 +ATOM C CA . PHE A0 1 8 . 8 PHE A0 CA 0 11.978127 1.5066825 -6.3708477 1 49 1 +ATOM C C . PHE A0 1 8 . 8 PHE A0 C 0 12.589747 0.103432685 -6.387257 1 50 1 +ATOM O O . PHE A0 1 8 . 8 PHE A0 O 0 12.317373 -0.69746834 -5.496493 1 51 1 +ATOM C CB . PHE A0 1 8 . 8 PHE A0 CB 0 10.513802 1.4076953 -6.8172197 1 52 1 +ATOM C CG . PHE A0 1 8 . 8 PHE A0 CG 0 9.736059 2.6786494 -6.6299925 1 53 1 +ATOM C CD1 . PHE A0 1 8 . 8 PHE A0 CD1 0 9.538737 3.5470343 -7.6918592 1 54 1 +ATOM C CD2 . PHE A0 1 8 . 8 PHE A0 CD2 0 9.211428 3.0016289 -5.398322 1 55 1 +ATOM C CE1 . PHE A0 1 8 . 8 PHE A0 CE1 0 8.82063 4.726371 -7.5182567 1 56 1 +ATOM C CE2 . PHE A0 1 8 . 8 PHE A0 CE2 0 8.494289 4.1767435 -5.21721 1 57 1 +ATOM C CZ . PHE A0 1 8 . 8 PHE A0 CZ 0 8.299494 5.0378275 -6.286243 1 58 1 +ATOM N N . VAL A0 1 9 . 9 VAL A0 N 0 13.403415 -0.18182117 -7.378389 1 59 1 +ATOM C CA . VAL A0 1 9 . 9 VAL A0 CA 0 13.898411 -1.5381821 -7.5958323 1 60 1 +ATOM C C . VAL A0 1 9 . 9 VAL A0 C 0 14.858832 -1.947055 -6.481556 1 61 1 +ATOM O O . VAL A0 1 9 . 9 VAL A0 O 0 15.749259 -1.1858815 -6.11163 1 62 1 +ATOM C CB . VAL A0 1 9 . 9 VAL A0 CB 0 14.581525 -1.6626868 -8.973175 1 63 1 +ATOM C CG1 . VAL A0 1 9 . 9 VAL A0 CG1 0 15.302704 -2.9942567 -9.11306 1 64 1 +ATOM C CG2 . VAL A0 1 9 . 9 VAL A0 CG2 0 13.54837 -1.4799483 -10.086249 1 65 1 +ATOM N N . GLY A0 1 10 . 10 GLY A0 N 0 14.6687355 -3.1432676 -5.9791 1 66 1 +ATOM C CA . GLY A0 1 10 . 10 GLY A0 CA 0 15.555183 -3.6921935 -4.964195 1 67 1 +ATOM C C . GLY A0 1 10 . 10 GLY A0 C 0 14.812063 -4.540843 -3.9640937 1 68 1 +ATOM O O . GLY A0 1 10 . 10 GLY A0 O 0 13.643614 -4.8870244 -4.152812 1 69 1 +ATOM N N . THR A0 1 11 . 11 THR A0 N 0 15.511753 -4.899851 -2.9135401 1 70 1 +ATOM C CA . THR A0 1 11 . 11 THR A0 CA 0 14.956476 -5.707788 -1.83728 1 71 1 +ATOM C C . THR A0 1 11 . 11 THR A0 C 0 14.825123 -4.839579 -0.6014117 1 72 1 +ATOM O O . THR A0 1 11 . 11 THR A0 O 0 15.790244 -4.182632 -0.18399006 1 73 1 +ATOM C CB . THR A0 1 11 . 11 THR A0 CB 0 15.850262 -6.9240365 -1.5500027 1 74 1 +ATOM O OG1 . THR A0 1 11 . 11 THR A0 OG1 0 15.952141 -7.706804 -2.7461817 1 75 1 +ATOM C CG2 . THR A0 1 11 . 11 THR A0 CG2 0 15.254869 -7.7872705 -0.43221053 1 76 1 +ATOM N N . TRP A0 1 12 . 12 TRP A0 N 0 13.6526985 -4.816144 -0.02051989 1 77 1 +ATOM C CA . TRP A0 1 12 . 12 TRP A0 CA 0 13.314131 -3.9239113 1.0734053 1 78 1 +ATOM C C . TRP A0 1 12 . 12 TRP A0 C 0 12.791202 -4.7228403 2.2623258 1 79 1 +ATOM O O . TRP A0 1 12 . 12 TRP A0 O 0 12.129299 -5.753155 2.0829437 1 80 1 +ATOM C CB . TRP A0 1 12 . 12 TRP A0 CB 0 12.251539 -2.9119978 0.6358235 1 81 1 +ATOM C CG . TRP A0 1 12 . 12 TRP A0 CG 0 12.633293 -2.1003323 -0.5646764 1 82 1 +ATOM C CD1 . TRP A0 1 12 . 12 TRP A0 CD1 0 12.403398 -2.4324327 -1.8706577 1 83 1 +ATOM C CD2 . TRP A0 1 12 . 12 TRP A0 CD2 0 13.290968 -0.84206384 -0.5738872 1 84 1 +ATOM N NE1 . TRP A0 1 12 . 12 TRP A0 NE1 0 12.883028 -1.4461906 -2.692462 1 85 1 +ATOM C CE2 . TRP A0 1 12 . 12 TRP A0 CE2 0 13.438417 -0.45056486 -1.9199623 1 86 1 +ATOM C CE3 . TRP A0 1 12 . 12 TRP A0 CE3 0 13.778618 0.0022221527 0.4303126 1 87 1 +ATOM C CZ2 . TRP A0 1 12 . 12 TRP A0 CZ2 0 14.047044 0.74503976 -2.2895603 1 88 1 +ATOM C CZ3 . TRP A0 1 12 . 12 TRP A0 CZ3 0 14.382208 1.1878192 0.06449042 1 89 1 +ATOM C CH2 . TRP A0 1 12 . 12 TRP A0 CH2 0 14.513462 1.5487224 -1.2856069 1 90 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 13.093149 -4.2369347 3.4639826 1 91 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 12.604174 -4.884538 4.673416 1 92 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 11.830358 -3.8832488 5.5114307 1 93 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 12.23704 -2.7346768 5.6729393 1 94 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 13.768567 -5.4786453 5.481752 1 95 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 14.771273 -4.4475403 5.981544 1 96 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 15.878221 -5.122407 6.785408 1 97 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 16.917107 -4.107115 7.2248755 1 98 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 18.004261 -4.744069 8.000062 1 99 1 +ATOM N N . LEU A0 1 14 . 14 LEU A0 N 0 10.718927 -4.3418226 6.0750036 1 100 1 +ATOM C CA . LEU A0 1 14 . 14 LEU A0 CA 0 9.893698 -3.4795685 6.9226294 1 101 1 +ATOM C C . LEU A0 1 14 . 14 LEU A0 C 0 10.621788 -3.1651506 8.227033 1 102 1 +ATOM O O . LEU A0 1 14 . 14 LEU A0 O 0 11.109795 -4.071154 8.907122 1 103 1 +ATOM C CB . LEU A0 1 14 . 14 LEU A0 CB 0 8.559724 -4.155093 7.239006 1 104 1 +ATOM C CG . LEU A0 1 14 . 14 LEU A0 CG 0 7.573431 -3.3023028 8.043514 1 105 1 +ATOM C CD1 . LEU A0 1 14 . 14 LEU A0 CD1 0 6.515833 -4.1904488 8.688366 1 106 1 +ATOM C CD2 . LEU A0 1 14 . 14 LEU A0 CD2 0 6.932674 -2.2541604 7.155251 1 107 1 +ATOM N N . VAL A0 1 15 . 15 VAL A0 N 0 10.706294 -1.8663042 8.565374 1 108 1 +ATOM C CA . VAL A0 1 15 . 15 VAL A0 CA 0 11.344933 -1.4725621 9.812604 1 109 1 +ATOM C C . VAL A0 1 15 . 15 VAL A0 C 0 10.404369 -0.7378838 10.761269 1 110 1 +ATOM O O . VAL A0 1 15 . 15 VAL A0 O 0 10.690063 -0.6497842 11.95951 1 111 1 +ATOM C CB . VAL A0 1 15 . 15 VAL A0 CB 0 12.607699 -0.61657834 9.574428 1 112 1 +ATOM C CG1 . VAL A0 1 15 . 15 VAL A0 CG1 0 13.665765 -1.4407538 8.838392 1 113 1 +ATOM C CG2 . VAL A0 1 15 . 15 VAL A0 CG2 0 12.2704315 0.64812255 8.814585 1 114 1 +ATOM N N . SER A0 1 16 . 16 SER A0 N 0 9.306214 -0.20361376 10.261473 1 115 1 +ATOM C CA . SER A0 1 16 . 16 SER A0 CA 0 8.335213 0.4240842 11.148142 1 116 1 +ATOM C C . SER A0 1 16 . 16 SER A0 C 0 6.94877 0.4154415 10.525065 1 117 1 +ATOM O O . SER A0 1 16 . 16 SER A0 O 0 6.802785 0.37150317 9.297131 1 118 1 +ATOM C CB . SER A0 1 16 . 16 SER A0 CB 0 8.745394 1.8558301 11.509797 1 119 1 +ATOM O OG . SER A0 1 16 . 16 SER A0 OG 0 8.532368 2.74193 10.439087 1 120 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 5.956959 0.45207545 11.386524 1 121 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 4.573802 0.42320332 10.956204 1 122 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 3.7220204 1.2174553 11.933911 1 123 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 3.8258698 1.027684 13.148235 1 124 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 4.081992 -1.0193751 10.867113 1 125 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 2.7473888 -1.0829861 10.409494 1 126 1 +ATOM N N . GLU A0 1 18 . 18 GLU A0 N 0 2.9191551 2.1369991 11.41865 1 127 1 +ATOM C CA . GLU A0 1 18 . 18 GLU A0 CA 0 2.0434976 2.9520826 12.242647 1 128 1 +ATOM C C . GLU A0 1 18 . 18 GLU A0 C 0 0.60181123 2.7982564 11.775373 1 129 1 +ATOM O O . GLU A0 1 18 . 18 GLU A0 O 0 0.3073671 2.9593973 10.588644 1 130 1 +ATOM C CB . GLU A0 1 18 . 18 GLU A0 CB 0 2.4386702 4.435014 12.162254 1 131 1 +ATOM C CG . GLU A0 1 18 . 18 GLU A0 CG 0 3.8214865 4.7374654 12.721762 1 132 1 +ATOM C CD . GLU A0 1 18 . 18 GLU A0 CD 0 4.2747188 6.1591635 12.426753 1 133 1 +ATOM O OE1 . GLU A0 1 18 . 18 GLU A0 OE1 0 5.2725286 6.603828 13.039917 1 134 1 +ATOM O OE2 . GLU A0 1 18 . 18 GLU A0 OE2 0 3.647483 6.843416 11.593895 1 135 1 +ATOM N N . ASN A0 1 19 . 19 ASN A0 N 0 -0.30047235 2.4780605 12.698604 1 136 1 +ATOM C CA . ASN A0 1 19 . 19 ASN A0 CA 0 -1.7394028 2.3896303 12.472715 1 137 1 +ATOM C C . ASN A0 1 19 . 19 ASN A0 C 0 -2.1600661 1.2483346 11.5503435 1 138 1 +ATOM O O . ASN A0 1 19 . 19 ASN A0 O 0 -3.2602375 1.2677786 10.994896 1 139 1 +ATOM C CB . ASN A0 1 19 . 19 ASN A0 CB 0 -2.2939827 3.7120461 11.929716 1 140 1 +ATOM C CG . ASN A0 1 19 . 19 ASN A0 CG 0 -2.1666536 4.8415203 12.91056 1 141 1 +ATOM O OD1 . ASN A0 1 19 . 19 ASN A0 OD1 0 -2.2050517 4.623975 14.11212 1 142 1 +ATOM N ND2 . ASN A0 1 19 . 19 ASN A0 ND2 0 -2.016337 6.058832 12.390089 1 143 1 +ATOM N N . PHE A0 1 20 . 20 PHE A0 N 0 -1.3315034 0.23256855 11.371061 1 144 1 +ATOM C CA . PHE A0 1 20 . 20 PHE A0 CA 0 -1.6706309 -0.8608253 10.467515 1 145 1 +ATOM C C . PHE A0 1 20 . 20 PHE A0 C 0 -2.8866923 -1.6494621 10.957489 1 146 1 +ATOM O O . PHE A0 1 20 . 20 PHE A0 O 0 -3.720722 -2.0653152 10.154386 1 147 1 +ATOM C CB . PHE A0 1 20 . 20 PHE A0 CB 0 -0.46591628 -1.7800521 10.2692 1 148 1 +ATOM C CG . PHE A0 1 20 . 20 PHE A0 CG 0 -0.63307846 -2.7928224 9.165881 1 149 1 +ATOM C CD1 . PHE A0 1 20 . 20 PHE A0 CD1 0 -0.38545528 -4.13328 9.402049 1 150 1 +ATOM C CD2 . PHE A0 1 20 . 20 PHE A0 CD2 0 -1.0152885 -2.395627 7.8989925 1 151 1 +ATOM C CE1 . PHE A0 1 20 . 20 PHE A0 CE1 0 -0.5157472 -5.072874 8.391179 1 152 1 +ATOM C CE2 . PHE A0 1 20 . 20 PHE A0 CE2 0 -1.1508346 -3.3263948 6.8747296 1 153 1 +ATOM C CZ . PHE A0 1 20 . 20 PHE A0 CZ 0 -0.90315574 -4.6722803 7.125641 1 154 1 +ATOM N N . ASP A0 1 21 . 21 ASP A0 N 0 -2.9913814 -1.8363519 12.272085 1 155 1 +ATOM C CA . ASP A0 1 21 . 21 ASP A0 CA 0 -4.1454344 -2.5459619 12.81482 1 156 1 +ATOM C C . ASP A0 1 21 . 21 ASP A0 C 0 -5.4425545 -1.788366 12.532404 1 157 1 +ATOM O O . ASP A0 1 21 . 21 ASP A0 O 0 -6.4483576 -2.3848891 12.149326 1 158 1 +ATOM C CB . ASP A0 1 21 . 21 ASP A0 CB 0 -3.9804463 -2.7751622 14.319506 1 159 1 +ATOM C CG . ASP A0 1 21 . 21 ASP A0 CG 0 -5.0878963 -3.646328 14.888924 1 160 1 +ATOM O OD1 . ASP A0 1 21 . 21 ASP A0 OD1 0 -5.109547 -4.854721 14.566591 1 161 1 +ATOM O OD2 . ASP A0 1 21 . 21 ASP A0 OD2 0 -5.942928 -3.131166 15.641659 1 162 1 +ATOM N N . ASP A0 1 22 . 22 ASP A0 N 0 -5.425946 -0.4729991 12.723083 1 163 1 +ATOM C CA . ASP A0 1 22 . 22 ASP A0 CA 0 -6.6016245 0.34828806 12.430264 1 164 1 +ATOM C C . ASP A0 1 22 . 22 ASP A0 C 0 -6.957839 0.29137516 10.945737 1 165 1 +ATOM O O . ASP A0 1 22 . 22 ASP A0 O 0 -8.136112 0.22414547 10.581089 1 166 1 +ATOM C CB . ASP A0 1 22 . 22 ASP A0 CB 0 -6.356533 1.8021573 12.855936 1 167 1 +ATOM C CG . ASP A0 1 22 . 22 ASP A0 CG 0 -6.2385826 1.9741008 14.356396 1 168 1 +ATOM O OD1 . ASP A0 1 22 . 22 ASP A0 OD1 0 -6.887241 1.2101357 15.104544 1 169 1 +ATOM O OD2 . ASP A0 1 22 . 22 ASP A0 OD2 0 -5.49708 2.8777528 14.782929 1 170 1 +ATOM N N . TYR A0 1 23 . 23 TYR A0 N 0 -5.9540396 0.33523545 10.104182 1 171 1 +ATOM C CA . TYR A0 1 23 . 23 TYR A0 CA 0 -6.1766734 0.22492802 8.661274 1 172 1 +ATOM C C . TYR A0 1 23 . 23 TYR A0 C 0 -6.821108 -1.1164734 8.307952 1 173 1 +ATOM O O . TYR A0 1 23 . 23 TYR A0 O 0 -7.8054733 -1.1669028 7.562333 1 174 1 +ATOM C CB . TYR A0 1 23 . 23 TYR A0 CB 0 -4.8493333 0.40478298 7.915481 1 175 1 +ATOM C CG . TYR A0 1 23 . 23 TYR A0 CG 0 -4.9427986 0.1741302 6.419547 1 176 1 +ATOM C CD1 . TYR A0 1 23 . 23 TYR A0 CD1 0 -4.3991375 -0.9726106 5.8436947 1 177 1 +ATOM C CD2 . TYR A0 1 23 . 23 TYR A0 CD2 0 -5.555762 1.0972675 5.5914154 1 178 1 +ATOM C CE1 . TYR A0 1 23 . 23 TYR A0 CE1 0 -4.476161 -1.1893678 4.479072 1 179 1 +ATOM C CE2 . TYR A0 1 23 . 23 TYR A0 CE2 0 -5.636594 0.8911202 4.216529 1 180 1 +ATOM C CZ . TYR A0 1 23 . 23 TYR A0 CZ 0 -5.0923967 -0.25703287 3.6737432 1 181 1 +ATOM O OH . TYR A0 1 23 . 23 TYR A0 OH 0 -5.16565 -0.46591938 2.3205366 1 182 1 +ATOM N N . MET A0 1 24 . 24 MET A0 N 0 -6.278148 -2.1981778 8.872292 1 183 1 +ATOM C CA . MET A0 1 24 . 24 MET A0 CA 0 -6.844835 -3.5137835 8.614961 1 184 1 +ATOM C C . MET A0 1 24 . 24 MET A0 C 0 -8.285286 -3.6120167 9.108797 1 185 1 +ATOM O O . MET A0 1 24 . 24 MET A0 O 0 -9.134742 -4.201867 8.436119 1 186 1 +ATOM C CB . MET A0 1 24 . 24 MET A0 CB 0 -5.9804354 -4.599969 9.270446 1 187 1 +ATOM C CG . MET A0 1 24 . 24 MET A0 CG 0 -4.644395 -4.817237 8.582886 1 188 1 +ATOM S SD . MET A0 1 24 . 24 MET A0 SD 0 -3.7740545 -6.278407 9.228968 1 189 1 +ATOM C CE . MET A0 1 24 . 24 MET A0 CE 0 -3.3454397 -5.7026787 10.880369 1 190 1 +ATOM N N . LYS A0 1 25 . 25 LYS A0 N 0 -8.568338 -3.0362263 10.28008 1 191 1 +ATOM C CA . LYS A0 1 25 . 25 LYS A0 CA 0 -9.944544 -3.0152082 10.7896595 1 192 1 +ATOM C C . LYS A0 1 25 . 25 LYS A0 C 0 -10.872505 -2.3432612 9.793282 1 193 1 +ATOM O O . LYS A0 1 25 . 25 LYS A0 O 0 -11.968662 -2.8262248 9.521875 1 194 1 +ATOM C CB . LYS A0 1 25 . 25 LYS A0 CB 0 -10.02103 -2.2721815 12.126133 1 195 1 +ATOM C CG . LYS A0 1 25 . 25 LYS A0 CG 0 -9.53392 -3.0434284 13.328142 1 196 1 +ATOM C CD . LYS A0 1 25 . 25 LYS A0 CD 0 -9.805027 -2.2407627 14.602462 1 197 1 +ATOM C CE . LYS A0 1 25 . 25 LYS A0 CE 0 -9.166016 -2.8733325 15.827061 1 198 1 +ATOM N NZ . LYS A0 1 25 . 25 LYS A0 NZ 0 -9.414246 -2.0672612 17.04857 1 199 1 +ATOM N N . GLU A0 1 26 . 26 GLU A0 N 0 -10.430025 -1.2148628 9.255041 1 200 1 +ATOM C CA . GLU A0 1 26 . 26 GLU A0 CA 0 -11.253349 -0.45987007 8.325914 1 201 1 +ATOM C C . GLU A0 1 26 . 26 GLU A0 C 0 -11.483866 -1.2426481 7.0315056 1 202 1 +ATOM O O . GLU A0 1 26 . 26 GLU A0 O 0 -12.523643 -1.0739585 6.38332 1 203 1 +ATOM C CB . GLU A0 1 26 . 26 GLU A0 CB 0 -10.604418 0.8928654 8.0288315 1 204 1 +ATOM C CG . GLU A0 1 26 . 26 GLU A0 CG 0 -11.587311 1.9849993 7.6581597 1 205 1 +ATOM C CD . GLU A0 1 26 . 26 GLU A0 CD 0 -12.535509 2.3361278 8.786951 1 206 1 +ATOM O OE1 . GLU A0 1 26 . 26 GLU A0 OE1 0 -12.250292 2.0124786 9.966974 1 207 1 +ATOM O OE2 . GLU A0 1 26 . 26 GLU A0 OE2 0 -13.585809 2.9347677 8.4797535 1 208 1 +ATOM N N . LEU A0 1 27 . 27 LEU A0 N 0 -10.529068 -2.0783854 6.668223 1 209 1 +ATOM C CA . LEU A0 1 27 . 27 LEU A0 CA 0 -10.69079 -2.9528565 5.505898 1 210 1 +ATOM C C . LEU A0 1 27 . 27 LEU A0 C 0 -11.676655 -4.092114 5.767766 1 211 1 +ATOM O O . LEU A0 1 27 . 27 LEU A0 O 0 -12.128235 -4.748254 4.8248878 1 212 1 +ATOM C CB . LEU A0 1 27 . 27 LEU A0 CB 0 -9.342344 -3.5555186 5.095662 1 213 1 +ATOM C CG . LEU A0 1 27 . 27 LEU A0 CG 0 -8.316557 -2.6465878 4.4066324 1 214 1 +ATOM C CD1 . LEU A0 1 27 . 27 LEU A0 CD1 0 -7.017964 -3.4268641 4.186744 1 215 1 +ATOM C CD2 . LEU A0 1 27 . 27 LEU A0 CD2 0 -8.84892 -2.1278877 3.078414 1 216 1 +ATOM N N . GLY A0 1 28 . 28 GLY A0 N 0 -11.9892 -4.336778 7.0462375 1 217 1 +ATOM C CA . GLY A0 1 28 . 28 GLY A0 CA 0 -12.852987 -5.445581 7.428341 1 218 1 +ATOM C C . GLY A0 1 28 . 28 GLY A0 C 0 -12.104203 -6.716409 7.780957 1 219 1 +ATOM O O . GLY A0 1 28 . 28 GLY A0 O 0 -12.705346 -7.7924666 7.8333173 1 220 1 +ATOM N N . VAL A0 1 29 . 29 VAL A0 N 0 -10.81469 -6.6033416 8.03824 1 221 1 +ATOM C CA . VAL A0 1 29 . 29 VAL A0 CA 0 -9.991917 -7.7693486 8.353483 1 222 1 +ATOM C C . VAL A0 1 29 . 29 VAL A0 C 0 -10.33917 -8.297441 9.740453 1 223 1 +ATOM O O . VAL A0 1 29 . 29 VAL A0 O 0 -10.442267 -7.52327 10.7031145 1 224 1 +ATOM C CB . VAL A0 1 29 . 29 VAL A0 CB 0 -8.491055 -7.419356 8.270528 1 225 1 +ATOM C CG1 . VAL A0 1 29 . 29 VAL A0 CG1 0 -7.6385756 -8.626115 8.633387 1 226 1 +ATOM C CG2 . VAL A0 1 29 . 29 VAL A0 CG2 0 -8.138483 -6.917679 6.859426 1 227 1 +ATOM N N . GLY A0 1 30 . 30 GLY A0 N 0 -10.53429 -9.604085 9.847915 1 228 1 +ATOM C CA . GLY A0 1 30 . 30 GLY A0 CA 0 -10.8912325 -10.221937 11.1129 1 229 1 +ATOM C C . GLY A0 1 30 . 30 GLY A0 C 0 -9.738438 -10.271748 12.097935 1 230 1 +ATOM O O . GLY A0 1 30 . 30 GLY A0 O 0 -8.580038 -10.028833 11.753544 1 231 1 +ATOM N N . PHE A0 1 31 . 31 PHE A0 N 0 -10.060632 -10.597725 13.33326 1 232 1 +ATOM C CA . PHE A0 1 31 . 31 PHE A0 CA 0 -9.096855 -10.562267 14.443232 1 233 1 +ATOM C C . PHE A0 1 31 . 31 PHE A0 C 0 -7.8393793 -11.392311 14.171573 1 234 1 +ATOM O O . PHE A0 1 31 . 31 PHE A0 O 0 -6.714233 -10.887456 14.287181 1 235 1 +ATOM C CB . PHE A0 1 31 . 31 PHE A0 CB 0 -9.775284 -11.044363 15.722761 1 236 1 +ATOM C CG . PHE A0 1 31 . 31 PHE A0 CG 0 -8.83701 -11.144278 16.891249 1 237 1 +ATOM C CD1 . PHE A0 1 31 . 31 PHE A0 CD1 0 -8.215182 -12.345158 17.191906 1 238 1 +ATOM C CD2 . PHE A0 1 31 . 31 PHE A0 CD2 0 -8.582851 -10.042572 17.684973 1 239 1 +ATOM C CE1 . PHE A0 1 31 . 31 PHE A0 CE1 0 -7.3454742 -12.444115 18.270153 1 240 1 +ATOM C CE2 . PHE A0 1 31 . 31 PHE A0 CE2 0 -7.7170773 -10.132334 18.76178 1 241 1 +ATOM C CZ . PHE A0 1 31 . 31 PHE A0 CZ 0 -7.0995054 -11.332293 19.054768 1 242 1 +ATOM N N . ALA A0 1 32 . 32 ALA A0 N 0 -8.020651 -12.657219 13.817827 1 243 1 +ATOM C CA . ALA A0 1 32 . 32 ALA A0 CA 0 -6.870966 -13.542978 13.653725 1 244 1 +ATOM C C . ALA A0 1 32 . 32 ALA A0 C 0 -5.9342422 -13.052774 12.546784 1 245 1 +ATOM O O . ALA A0 1 32 . 32 ALA A0 O 0 -4.710438 -13.073479 12.7055 1 246 1 +ATOM C CB . ALA A0 1 32 . 32 ALA A0 CB 0 -7.3385344 -14.965784 13.357708 1 247 1 +ATOM N N . THR A0 1 33 . 33 THR A0 N 0 -6.521016 -12.609587 11.451111 1 248 1 +ATOM C CA . THR A0 1 33 . 33 THR A0 CA 0 -5.6980767 -12.126347 10.346385 1 249 1 +ATOM C C . THR A0 1 33 . 33 THR A0 C 0 -4.999174 -10.818167 10.705684 1 250 1 +ATOM O O . THR A0 1 33 . 33 THR A0 O 0 -3.8469217 -10.601569 10.316429 1 251 1 +ATOM C CB . THR A0 1 33 . 33 THR A0 CB 0 -6.5487647 -11.961813 9.070305 1 252 1 +ATOM O OG1 . THR A0 1 33 . 33 THR A0 OG1 0 -7.138114 -13.218508 8.731718 1 253 1 +ATOM C CG2 . THR A0 1 33 . 33 THR A0 CG2 0 -5.6779184 -11.480484 7.897004 1 254 1 +ATOM N N . ARG A0 1 34 . 34 ARG A0 N 0 -5.6766415 -9.931496 11.450965 1 255 1 +ATOM C CA . ARG A0 1 34 . 34 ARG A0 CA 0 -5.015401 -8.7054 11.895568 1 256 1 +ATOM C C . ARG A0 1 34 . 34 ARG A0 C 0 -3.8137097 -9.020111 12.780438 1 257 1 +ATOM O O . ARG A0 1 34 . 34 ARG A0 O 0 -2.760104 -8.3853245 12.635979 1 258 1 +ATOM C CB . ARG A0 1 34 . 34 ARG A0 CB 0 -5.988433 -7.802581 12.665455 1 259 1 +ATOM C CG . ARG A0 1 34 . 34 ARG A0 CG 0 -7.0225625 -7.1275325 11.802666 1 260 1 +ATOM C CD . ARG A0 1 34 . 34 ARG A0 CD 0 -7.5923448 -5.886629 12.479651 1 261 1 +ATOM N NE . ARG A0 1 34 . 34 ARG A0 NE 0 -7.996133 -6.0742226 13.865482 1 262 1 +ATOM C CZ . ARG A0 1 34 . 34 ARG A0 CZ 0 -9.151126 -6.6139183 14.247341 1 263 1 +ATOM N NH1 . ARG A0 1 34 . 34 ARG A0 NH1 0 -10.022194 -7.0510197 13.342714 1 264 1 +ATOM N NH2 . ARG A0 1 34 . 34 ARG A0 NH2 0 -9.433538 -6.711924 15.54302 1 265 1 +ATOM N N . LYS A0 1 35 . 35 LYS A0 N 0 -3.9822252 -9.963316 13.703049 1 266 1 +ATOM C CA . LYS A0 1 35 . 35 LYS A0 CA 0 -2.8759804 -10.326513 14.581442 1 267 1 +ATOM C C . LYS A0 1 35 . 35 LYS A0 C 0 -1.7112963 -10.90444 13.783613 1 268 1 +ATOM O O . LYS A0 1 35 . 35 LYS A0 O 0 -0.55026877 -10.5377865 13.995972 1 269 1 +ATOM C CB . LYS A0 1 35 . 35 LYS A0 CB 0 -3.3281226 -11.316685 15.650814 1 270 1 +ATOM C CG . LYS A0 1 35 . 35 LYS A0 CG 0 -4.3486824 -10.7382555 16.633068 1 271 1 +ATOM C CD . LYS A0 1 35 . 35 LYS A0 CD 0 -3.8025355 -9.478609 17.320587 1 272 1 +ATOM C CE . LYS A0 1 35 . 35 LYS A0 CE 0 -4.8581114 -8.858089 18.192791 1 273 1 +ATOM N NZ . LYS A0 1 35 . 35 LYS A0 NZ 0 -4.388475 -7.603157 18.804623 1 274 1 +ATOM N N . MET A0 1 36 . 36 MET A0 N 0 -2.0212352 -11.797525 12.849421 1 275 1 +ATOM C CA . MET A0 1 36 . 36 MET A0 CA 0 -0.9859605 -12.396765 12.010572 1 276 1 +ATOM C C . MET A0 1 36 . 36 MET A0 C 0 -0.3062785 -11.338159 11.135008 1 277 1 +ATOM O O . MET A0 1 36 . 36 MET A0 O 0 0.92611945 -11.31049 11.02668 1 278 1 +ATOM C CB . MET A0 1 36 . 36 MET A0 CB 0 -1.5973111 -13.497096 11.134367 1 279 1 +ATOM C CG . MET A0 1 36 . 36 MET A0 CG 0 -0.5993651 -14.185581 10.2055025 1 280 1 +ATOM S SD . MET A0 1 36 . 36 MET A0 SD 0 -1.3073547 -15.61165 9.377279 1 281 1 +ATOM C CE . MET A0 1 36 . 36 MET A0 CE 0 -2.2556825 -14.79749 8.11945 1 282 1 +ATOM N N . GLY A0 1 37 . 37 GLY A0 N 0 -1.1180472 -10.467649 10.523529 1 283 1 +ATOM C CA . GLY A0 1 37 . 37 GLY A0 CA 0 -0.57611907 -9.43153 9.667147 1 284 1 +ATOM C C . GLY A0 1 37 . 37 GLY A0 C 0 0.23957731 -8.40843 10.434782 1 285 1 +ATOM O O . GLY A0 1 37 . 37 GLY A0 O 0 1.2767068 -7.9405317 9.958304 1 286 1 +ATOM N N . GLY A0 1 38 . 38 GLY A0 N 0 -0.21473706 -8.052143 11.627251 1 287 1 +ATOM C CA . GLY A0 1 38 . 38 GLY A0 CA 0 0.48799384 -7.0640364 12.430362 1 288 1 +ATOM C C . GLY A0 1 38 . 38 GLY A0 C 0 1.8463411 -7.531654 12.918412 1 289 1 +ATOM O O . GLY A0 1 38 . 38 GLY A0 O 0 2.761772 -6.717628 13.087781 1 290 1 +ATOM N N . MET A0 1 39 . 39 MET A0 N 0 1.9759924 -8.816341 13.158807 1 291 1 +ATOM C CA . MET A0 1 39 . 39 MET A0 CA 0 3.241369 -9.369907 13.643577 1 292 1 +ATOM C C . MET A0 1 39 . 39 MET A0 C 0 4.2809763 -9.5057125 12.539122 1 293 1 +ATOM O O . MET A0 1 39 . 39 MET A0 O 0 5.4808245 -9.501873 12.813509 1 294 1 +ATOM C CB . MET A0 1 39 . 39 MET A0 CB 0 3.021812 -10.748524 14.265936 1 295 1 +ATOM C CG . MET A0 1 39 . 39 MET A0 CG 0 2.2732043 -10.736269 15.572643 1 296 1 +ATOM S SD . MET A0 1 39 . 39 MET A0 SD 0 2.0608444 -12.408962 16.205544 1 297 1 +ATOM C CE . MET A0 1 39 . 39 MET A0 CE 0 3.7602096 -12.839903 16.547876 1 298 1 +ATOM N N . ALA A0 1 40 . 40 ALA A0 N 0 3.8198104 -9.635151 11.313067 1 299 1 +ATOM C CA . ALA A0 1 40 . 40 ALA A0 CA 0 4.7298536 -9.922262 10.215761 1 300 1 +ATOM C C . ALA A0 1 40 . 40 ALA A0 C 0 5.6577334 -8.743755 9.926935 1 301 1 +ATOM O O . ALA A0 1 40 . 40 ALA A0 O 0 5.2716584 -7.5801554 10.017408 1 302 1 +ATOM C CB . ALA A0 1 40 . 40 ALA A0 CB 0 3.941839 -10.28512 8.957958 1 303 1 +ATOM N N . LYS A0 1 41 . 41 LYS A0 N 0 6.8850775 -9.056853 9.590309 1 304 1 +ATOM C CA . LYS A0 1 41 . 41 LYS A0 CA 0 7.8673744 -8.085125 9.1283245 1 305 1 +ATOM C C . LYS A0 1 41 . 41 LYS A0 C 0 8.259006 -8.479595 7.702806 1 306 1 +ATOM O O . LYS A0 1 41 . 41 LYS A0 O 0 9.295926 -9.111524 7.4740024 1 307 1 +ATOM C CB . LYS A0 1 41 . 41 LYS A0 CB 0 9.099764 -8.071631 10.034399 1 308 1 +ATOM C CG . LYS A0 1 41 . 41 LYS A0 CG 0 8.829511 -7.5709105 11.432623 1 309 1 +ATOM C CD . LYS A0 1 41 . 41 LYS A0 CD 0 8.496203 -6.09199 11.443152 1 310 1 +ATOM C CE . LYS A0 1 41 . 41 LYS A0 CE 0 8.756258 -5.4448357 12.778067 1 311 1 +ATOM N NZ . LYS A0 1 41 . 41 LYS A0 NZ 0 7.8448 -5.9747458 13.831324 1 312 1 +ATOM N N . PRO A0 1 42 . 42 PRO A0 N 0 7.4234233 -8.104973 6.727621 1 313 1 +ATOM C CA . PRO A0 1 42 . 42 PRO A0 CA 0 7.625509 -8.611975 5.372546 1 314 1 +ATOM C C . PRO A0 1 42 . 42 PRO A0 C 0 8.892906 -8.097179 4.7092223 1 315 1 +ATOM O O . PRO A0 1 42 . 42 PRO A0 O 0 9.395817 -7.0196514 5.025172 1 316 1 +ATOM C CB . PRO A0 1 42 . 42 PRO A0 CB 0 6.3867517 -8.112865 4.6082153 1 317 1 +ATOM C CG . PRO A0 1 42 . 42 PRO A0 CG 0 5.3855076 -7.7569714 5.657795 1 318 1 +ATOM C CD . PRO A0 1 42 . 42 PRO A0 CD 0 6.1974783 -7.3011465 6.8337812 1 319 1 +ATOM N N . ASN A0 1 43 . 43 ASN A0 N 0 9.365622 -8.876825 3.7735705 1 320 1 +ATOM C CA . ASN A0 1 43 . 43 ASN A0 CA 0 10.387388 -8.484616 2.82444 1 321 1 +ATOM C C . ASN A0 1 43 . 43 ASN A0 C 0 9.684197 -8.153143 1.5180299 1 322 1 +ATOM O O . ASN A0 1 43 . 43 ASN A0 O 0 8.804631 -8.897474 1.0801464 1 323 1 +ATOM C CB . ASN A0 1 43 . 43 ASN A0 CB 0 11.382364 -9.623945 2.6342344 1 324 1 +ATOM C CG . ASN A0 1 43 . 43 ASN A0 CG 0 12.416775 -9.341986 1.5684065 1 325 1 +ATOM O OD1 . ASN A0 1 43 . 43 ASN A0 OD1 0 12.29196 -9.80352 0.43461022 1 326 1 +ATOM N ND2 . ASN A0 1 43 . 43 ASN A0 ND2 0 13.440922 -8.608782 1.9544528 1 327 1 +ATOM N N . CYS A0 1 44 . 44 CYS A0 N 0 10.045628 -7.014473 0.9125953 1 328 1 +ATOM C CA . CYS A0 1 44 . 44 CYS A0 CA 0 9.409036 -6.5826263 -0.32751358 1 329 1 +ATOM C C . CYS A0 1 44 . 44 CYS A0 C 0 10.459833 -6.507075 -1.427134 1 330 1 +ATOM O O . CYS A0 1 44 . 44 CYS A0 O 0 11.458695 -5.8017664 -1.2825751 1 331 1 +ATOM C CB . CYS A0 1 44 . 44 CYS A0 CB 0 8.743526 -5.2229867 -0.12908697 1 332 1 +ATOM S SG . CYS A0 1 44 . 44 CYS A0 SG 0 7.9922514 -4.5390854 -1.5947988 1 333 1 +ATOM N N . ILE A0 1 45 . 45 ILE A0 N 0 10.231024 -7.225953 -2.5098934 1 334 1 +ATOM C CA . ILE A0 1 45 . 45 ILE A0 CA 0 11.141994 -7.219733 -3.6548924 1 335 1 +ATOM C C . ILE A0 1 45 . 45 ILE A0 C 0 10.447514 -6.5666733 -4.8343067 1 336 1 +ATOM O O . ILE A0 1 45 . 45 ILE A0 O 0 9.364298 -7.012255 -5.238284 1 337 1 +ATOM C CB . ILE A0 1 45 . 45 ILE A0 CB 0 11.587792 -8.637574 -4.034685 1 338 1 +ATOM C CG1 . ILE A0 1 45 . 45 ILE A0 CG1 0 12.24719 -9.3323 -2.8314676 1 339 1 +ATOM C CG2 . ILE A0 1 45 . 45 ILE A0 CG2 0 12.566158 -8.601351 -5.2033916 1 340 1 +ATOM C CD1 . ILE A0 1 45 . 45 ILE A0 CD1 0 11.308503 -10.294131 -2.1229112 1 341 1 +ATOM N N . ILE A0 1 46 . 46 ILE A0 N 0 11.068674 -5.510778 -5.3805075 1 342 1 +ATOM C CA . ILE A0 1 46 . 46 ILE A0 CA 0 10.496056 -4.8080263 -6.519709 1 343 1 +ATOM C C . ILE A0 1 46 . 46 ILE A0 C 0 11.454516 -4.9176645 -7.6995935 1 344 1 +ATOM O O . ILE A0 1 46 . 46 ILE A0 O 0 12.651522 -4.6496587 -7.5517416 1 345 1 +ATOM C CB . ILE A0 1 46 . 46 ILE A0 CB 0 10.210075 -3.3291602 -6.187498 1 346 1 +ATOM C CG1 . ILE A0 1 46 . 46 ILE A0 CG1 0 9.225412 -3.2293937 -5.027083 1 347 1 +ATOM C CG2 . ILE A0 1 46 . 46 ILE A0 CG2 0 9.673824 -2.5973282 -7.4262877 1 348 1 +ATOM C CD1 . ILE A0 1 46 . 46 ILE A0 CD1 0 8.915693 -1.8057277 -4.5883136 1 349 1 +ATOM N N . SER A0 1 47 . 47 SER A0 N 0 10.926823 -5.289481 -8.839848 1 350 1 +ATOM C CA . SER A0 1 47 . 47 SER A0 CA 0 11.738543 -5.427984 -10.045826 1 351 1 +ATOM C C . SER A0 1 47 . 47 SER A0 C 0 10.975676 -4.921446 -11.259003 1 352 1 +ATOM O O . SER A0 1 47 . 47 SER A0 O 0 9.750702 -4.7925153 -11.233846 1 353 1 +ATOM C CB . SER A0 1 47 . 47 SER A0 CB 0 12.180319 -6.8833313 -10.248069 1 354 1 +ATOM O OG . SER A0 1 47 . 47 SER A0 OG 0 11.069441 -7.754591 -10.333458 1 355 1 +ATOM N N . VAL A0 1 48 . 48 VAL A0 N 0 11.714315 -4.6265326 -12.306984 1 356 1 +ATOM C CA . VAL A0 1 48 . 48 VAL A0 CA 0 11.133592 -4.1513486 -13.557621 1 357 1 +ATOM C C . VAL A0 1 48 . 48 VAL A0 C 0 11.7387295 -4.9221163 -14.725718 1 358 1 +ATOM O O . VAL A0 1 48 . 48 VAL A0 O 0 12.956296 -5.132175 -14.7727165 1 359 1 +ATOM C CB . VAL A0 1 48 . 48 VAL A0 CB 0 11.371038 -2.6374373 -13.755277 1 360 1 +ATOM C CG1 . VAL A0 1 48 . 48 VAL A0 CG1 0 10.790041 -2.1808345 -15.089455 1 361 1 +ATOM C CG2 . VAL A0 1 48 . 48 VAL A0 CG2 0 10.7666855 -1.8451002 -12.614736 1 362 1 +ATOM N N . ASN A0 1 49 . 49 ASN A0 N 0 10.891041 -5.34021 -15.629991 1 363 1 +ATOM C CA . ASN A0 1 49 . 49 ASN A0 CA 0 11.320549 -5.9989195 -16.862383 1 364 1 +ATOM C C . ASN A0 1 49 . 49 ASN A0 C 0 10.509477 -5.378235 -17.988426 1 365 1 +ATOM O O . ASN A0 1 49 . 49 ASN A0 O 0 9.33544 -5.6951027 -18.150871 1 366 1 +ATOM C CB . ASN A0 1 49 . 49 ASN A0 CB 0 11.08456 -7.5036335 -16.767256 1 367 1 +ATOM C CG . ASN A0 1 49 . 49 ASN A0 CG 0 11.68709 -8.268545 -17.918339 1 368 1 +ATOM O OD1 . ASN A0 1 49 . 49 ASN A0 OD1 0 11.547971 -7.8891735 -19.073631 1 369 1 +ATOM N ND2 . ASN A0 1 49 . 49 ASN A0 ND2 0 12.340033 -9.387093 -17.586302 1 370 1 +ATOM N N . GLY A0 1 50 . 50 GLY A0 N 0 11.13759 -4.4820766 -18.761806 1 371 1 +ATOM C CA . GLY A0 1 50 . 50 GLY A0 CA 0 10.394342 -3.75895 -19.775826 1 372 1 +ATOM C C . GLY A0 1 50 . 50 GLY A0 C 0 9.318668 -2.899893 -19.14997 1 373 1 +ATOM O O . GLY A0 1 50 . 50 GLY A0 O 0 9.609776 -2.0821602 -18.274996 1 374 1 +ATOM N N . ASP A0 1 51 . 51 ASP A0 N 0 8.089867 -3.10961 -19.566935 1 375 1 +ATOM C CA . ASP A0 1 51 . 51 ASP A0 CA 0 6.9596334 -2.3584795 -19.029076 1 376 1 +ATOM C C . ASP A0 1 51 . 51 ASP A0 C 0 6.3569508 -2.9972715 -17.78502 1 377 1 +ATOM O O . ASP A0 1 51 . 51 ASP A0 O 0 5.4903145 -2.394682 -17.147835 1 378 1 +ATOM C CB . ASP A0 1 51 . 51 ASP A0 CB 0 5.860976 -2.2225647 -20.086485 1 379 1 +ATOM C CG . ASP A0 1 51 . 51 ASP A0 CG 0 6.267351 -1.3703144 -21.266832 1 380 1 +ATOM O OD1 . ASP A0 1 51 . 51 ASP A0 OD1 0 6.9358478 -0.34151685 -21.050526 1 381 1 +ATOM O OD2 . ASP A0 1 51 . 51 ASP A0 OD2 0 5.9025517 -1.7247591 -22.405382 1 382 1 +ATOM N N . VAL A0 1 52 . 52 VAL A0 N 0 6.8035765 -4.2045875 -17.424911 1 383 1 +ATOM C CA . VAL A0 1 52 . 52 VAL A0 CA 0 6.179298 -4.9631095 -16.35503 1 384 1 +ATOM C C . VAL A0 1 52 . 52 VAL A0 C 0 6.9188685 -4.7437315 -15.039207 1 385 1 +ATOM O O . VAL A0 1 52 . 52 VAL A0 O 0 8.107539 -5.0482197 -14.92284 1 386 1 +ATOM C CB . VAL A0 1 52 . 52 VAL A0 CB 0 6.132967 -6.466554 -16.679174 1 387 1 +ATOM C CG1 . VAL A0 1 52 . 52 VAL A0 CG1 0 5.488416 -7.2401934 -15.537914 1 388 1 +ATOM C CG2 . VAL A0 1 52 . 52 VAL A0 CG2 0 5.381028 -6.700251 -17.979073 1 389 1 +ATOM N N . ILE A0 1 53 . 53 ILE A0 N 0 6.186222 -4.2175903 -14.063949 1 390 1 +ATOM C CA . ILE A0 1 53 . 53 ILE A0 CA 0 6.7073812 -4.0350056 -12.716698 1 391 1 +ATOM C C . ILE A0 1 53 . 53 ILE A0 C 0 6.1843147 -5.180241 -11.858558 1 392 1 +ATOM O O . ILE A0 1 53 . 53 ILE A0 O 0 5.003939 -5.5208416 -11.93008 1 393 1 +ATOM C CB . ILE A0 1 53 . 53 ILE A0 CB 0 6.2602663 -2.6848526 -12.125015 1 394 1 +ATOM C CG1 . ILE A0 1 53 . 53 ILE A0 CG1 0 6.691674 -1.532773 -13.030056 1 395 1 +ATOM C CG2 . ILE A0 1 53 . 53 ILE A0 CG2 0 6.8210707 -2.5129976 -10.714567 1 396 1 +ATOM C CD1 . ILE A0 1 53 . 53 ILE A0 CD1 0 6.037922 -0.2011515 -12.683514 1 397 1 +ATOM N N . THR A0 1 54 . 54 THR A0 N 0 7.0606318 -5.761104 -11.043266 1 398 1 +ATOM C CA . THR A0 1 54 . 54 THR A0 CA 0 6.6596203 -6.8279624 -10.142919 1 399 1 +ATOM C C . THR A0 1 54 . 54 THR A0 C 0 6.954218 -6.417602 -8.709589 1 400 1 +ATOM O O . THR A0 1 54 . 54 THR A0 O 0 8.045022 -5.9195633 -8.410284 1 401 1 +ATOM C CB . THR A0 1 54 . 54 THR A0 CB 0 7.390097 -8.141792 -10.47304 1 402 1 +ATOM O OG1 . THR A0 1 54 . 54 THR A0 OG1 0 7.0558195 -8.549044 -11.798857 1 403 1 +ATOM C CG2 . THR A0 1 54 . 54 THR A0 CG2 0 6.9936476 -9.250794 -9.493764 1 404 1 +ATOM N N . ILE A0 1 55 . 55 ILE A0 N 0 5.963185 -6.607149 -7.827145 1 405 1 +ATOM C CA . ILE A0 1 55 . 55 ILE A0 CA 0 6.1573043 -6.39404 -6.401005 1 406 1 +ATOM C C . ILE A0 1 55 . 55 ILE A0 C 0 5.8344707 -7.7021422 -5.696726 1 407 1 +ATOM O O . ILE A0 1 55 . 55 ILE A0 O 0 4.70411 -8.194099 -5.7757654 1 408 1 +ATOM C CB . ILE A0 1 55 . 55 ILE A0 CB 0 5.2742705 -5.260995 -5.849121 1 409 1 +ATOM C CG1 . ILE A0 1 55 . 55 ILE A0 CG1 0 5.5168796 -3.9567347 -6.6135097 1 410 1 +ATOM C CG2 . ILE A0 1 55 . 55 ILE A0 CG2 0 5.5547867 -5.0626316 -4.351339 1 411 1 +ATOM C CD1 . ILE A0 1 55 . 55 ILE A0 CD1 0 4.66234 -2.7905974 -6.1594205 1 412 1 +ATOM N N . LYS A0 1 56 . 56 LYS A0 N 0 6.8401637 -8.25963 -5.0444255 1 413 1 +ATOM C CA . LYS A0 1 56 . 56 LYS A0 CA 0 6.6781263 -9.50515 -4.3198953 1 414 1 +ATOM C C . LYS A0 1 56 . 56 LYS A0 C 0 6.8702345 -9.23812 -2.8398268 1 415 1 +ATOM O O . LYS A0 1 56 . 56 LYS A0 O 0 7.8295937 -8.560757 -2.4446175 1 416 1 +ATOM C CB . LYS A0 1 56 . 56 LYS A0 CB 0 7.693535 -10.546009 -4.8090067 1 417 1 +ATOM C CG . LYS A0 1 56 . 56 LYS A0 CG 0 7.593021 -11.888161 -4.0955276 1 418 1 +ATOM C CD . LYS A0 1 56 . 56 LYS A0 CD 0 8.38786 -12.965673 -4.820878 1 419 1 +ATOM C CE . LYS A0 1 56 . 56 LYS A0 CE 0 9.887688 -12.743738 -4.7186394 1 420 1 +ATOM N NZ . LYS A0 1 56 . 56 LYS A0 NZ 0 10.640127 -13.861261 -5.3538322 1 421 1 +ATOM N N . THR A0 1 57 . 57 THR A0 N 0 5.9632573 -9.740595 -2.029242 1 422 1 +ATOM C CA . THR A0 1 57 . 57 THR A0 CA 0 6.064288 -9.602543 -0.58337605 1 423 1 +ATOM C C . THR A0 1 57 . 57 THR A0 C 0 6.202421 -10.988567 0.033481896 1 424 1 +ATOM O O . THR A0 1 57 . 57 THR A0 O 0 5.405899 -11.884844 -0.2592975 1 425 1 +ATOM C CB . THR A0 1 57 . 57 THR A0 CB 0 4.837178 -8.883795 0.0014495075 1 426 1 +ATOM O OG1 . THR A0 1 57 . 57 THR A0 OG1 0 4.7491302 -7.5707498 -0.5449724 1 427 1 +ATOM C CG2 . THR A0 1 57 . 57 THR A0 CG2 0 4.9409943 -8.798701 1.5239611 1 428 1 +ATOM N N . GLU A0 1 58 . 58 GLU A0 N 0 7.2169857 -11.149738 0.8480673 1 429 1 +ATOM C CA . GLU A0 1 58 . 58 GLU A0 CA 0 7.474739 -12.416447 1.5121086 1 430 1 +ATOM C C . GLU A0 1 58 . 58 GLU A0 C 0 7.4564686 -12.227621 3.0221686 1 431 1 +ATOM O O . GLU A0 1 58 . 58 GLU A0 O 0 8.073975 -11.2954855 3.5423124 1 432 1 +ATOM C CB . GLU A0 1 58 . 58 GLU A0 CB 0 8.831419 -12.98572 1.0859811 1 433 1 +ATOM C CG . GLU A0 1 58 . 58 GLU A0 CG 0 8.921974 -13.2940855 -0.39175656 1 434 1 +ATOM C CD . GLU A0 1 58 . 58 GLU A0 CD 0 10.279319 -13.859703 -0.7819018 1 435 1 +ATOM O OE1 . GLU A0 1 58 . 58 GLU A0 OE1 0 10.371365 -14.471201 -1.866644 1 436 1 +ATOM O OE2 . GLU A0 1 58 . 58 GLU A0 OE2 0 11.246677 -13.69628 -0.005640111 1 437 1 +ATOM N N . SER A0 1 59 . 59 SER A0 N 0 6.7580824 -13.071007 3.7113283 1 438 1 +ATOM C CA . SER A0 1 59 . 59 SER A0 CA 0 6.763529 -13.0861 5.165421 1 439 1 +ATOM C C . SER A0 1 59 . 59 SER A0 C 0 6.628849 -14.523781 5.625699 1 440 1 +ATOM O O . SER A0 1 59 . 59 SER A0 O 0 6.289816 -15.413128 4.8446445 1 441 1 +ATOM C CB . SER A0 1 59 . 59 SER A0 CB 0 5.642696 -12.218752 5.745698 1 442 1 +ATOM O OG . SER A0 1 59 . 59 SER A0 OG 0 4.3957376 -12.897451 5.7130833 1 443 1 +ATOM N N . THR A0 1 60 . 60 THR A0 N 0 6.856719 -14.733869 6.888629 1 444 1 +ATOM C CA . THR A0 1 60 . 60 THR A0 CA 0 6.7287645 -16.071835 7.4369154 1 445 1 +ATOM C C . THR A0 1 60 . 60 THR A0 C 0 5.294751 -16.583452 7.3567214 1 446 1 +ATOM O O . THR A0 1 60 . 60 THR A0 O 0 5.0704823 -17.79411 7.3166733 1 447 1 +ATOM C CB . THR A0 1 60 . 60 THR A0 CB 0 7.2171826 -16.108437 8.897446 1 448 1 +ATOM O OG1 . THR A0 1 60 . 60 THR A0 OG1 0 6.518197 -15.113537 9.652299 1 449 1 +ATOM C CG2 . THR A0 1 60 . 60 THR A0 CG2 0 8.706166 -15.824552 8.981711 1 450 1 +ATOM N N . LEU A0 1 61 . 61 LEU A0 N 0 4.3507032 -15.660458 7.308222 1 451 1 +ATOM C CA . LEU A0 1 61 . 61 LEU A0 CA 0 2.9447665 -16.053293 7.3787155 1 452 1 +ATOM C C . LEU A0 1 61 . 61 LEU A0 C 0 2.1979585 -15.969645 6.0523815 1 453 1 +ATOM O O . LEU A0 1 61 . 61 LEU A0 O 0 1.1827476 -16.650997 5.8853025 1 454 1 +ATOM C CB . LEU A0 1 61 . 61 LEU A0 CB 0 2.2346873 -15.19341 8.431356 1 455 1 +ATOM C CG . LEU A0 1 61 . 61 LEU A0 CG 0 2.8446236 -15.297728 9.837876 1 456 1 +ATOM C CD1 . LEU A0 1 61 . 61 LEU A0 CD1 0 2.210836 -14.300822 10.7874775 1 457 1 +ATOM C CD2 . LEU A0 1 61 . 61 LEU A0 CD2 0 2.7000158 -16.721972 10.377153 1 458 1 +ATOM N N . LYS A0 1 62 . 62 LYS A0 N 0 2.6997347 -15.154042 5.1096015 1 459 1 +ATOM C CA . LYS A0 1 62 . 62 LYS A0 CA 0 1.990654 -14.993815 3.8454804 1 460 1 +ATOM C C . LYS A0 1 62 . 62 LYS A0 C 0 2.9160867 -14.4414625 2.7683353 1 461 1 +ATOM O O . LYS A0 1 62 . 62 LYS A0 O 0 3.690726 -13.516342 3.0290918 1 462 1 +ATOM C CB . LYS A0 1 62 . 62 LYS A0 CB 0 0.7870487 -14.06744 4.0154257 1 463 1 +ATOM C CG . LYS A0 1 62 . 62 LYS A0 CG 0 -0.21281433 -14.113966 2.8891969 1 464 1 +ATOM C CD . LYS A0 1 62 . 62 LYS A0 CD 0 -1.028415 -15.392384 2.9314747 1 465 1 +ATOM C CE . LYS A0 1 62 . 62 LYS A0 CE 0 -2.233037 -15.299353 2.0068684 1 466 1 +ATOM N NZ . LYS A0 1 62 . 62 LYS A0 NZ 0 -3.0197415 -16.552124 2.0186596 1 467 1 +ATOM N N . ASN A0 1 63 . 63 ASN A0 N 0 2.822353 -14.988586 1.5733378 1 468 1 +ATOM C CA . ASN A0 1 63 . 63 ASN A0 CA 0 3.5373158 -14.478884 0.40833628 1 469 1 +ATOM C C . ASN A0 1 63 . 63 ASN A0 C 0 2.533916 -14.008781 -0.62841856 1 470 1 +ATOM O O . ASN A0 1 63 . 63 ASN A0 O 0 1.5400128 -14.698227 -0.8875834 1 471 1 +ATOM C CB . ASN A0 1 63 . 63 ASN A0 CB 0 4.430051 -15.547548 -0.21065246 1 472 1 +ATOM C CG . ASN A0 1 63 . 63 ASN A0 CG 0 5.5438633 -15.990307 0.70594966 1 473 1 +ATOM O OD1 . ASN A0 1 63 . 63 ASN A0 OD1 0 5.948214 -15.272942 1.6114147 1 474 1 +ATOM N ND2 . ASN A0 1 63 . 63 ASN A0 ND2 0 6.0605297 -17.177498 0.45804358 1 475 1 +ATOM N N . THR A0 1 64 . 64 THR A0 N 0 2.7871976 -12.8491955 -1.214829 1 476 1 +ATOM C CA . THR A0 1 64 . 64 THR A0 CA 0 1.9723907 -12.360401 -2.317167 1 477 1 +ATOM C C . THR A0 1 64 . 64 THR A0 C 0 2.877703 -11.828846 -3.4146614 1 478 1 +ATOM O O . THR A0 1 64 . 64 THR A0 O 0 4.032584 -11.477549 -3.169606 1 479 1 +ATOM C CB . THR A0 1 64 . 64 THR A0 CB 0 0.9944649 -11.244877 -1.8884752 1 480 1 +ATOM O OG1 . THR A0 1 64 . 64 THR A0 OG1 0 1.7287033 -10.13117 -1.4006071 1 481 1 +ATOM C CG2 . THR A0 1 64 . 64 THR A0 CG2 0 0.033942252 -11.747326 -0.8257704 1 482 1 +ATOM N N . GLU A0 1 65 . 65 GLU A0 N 0 2.342253 -11.781635 -4.624345 1 483 1 +ATOM C CA . GLU A0 1 65 . 65 GLU A0 CA 0 3.0908008 -11.235172 -5.743574 1 484 1 +ATOM C C . GLU A0 1 65 . 65 GLU A0 C 0 2.129487 -10.660264 -6.766287 1 485 1 +ATOM O O . GLU A0 1 65 . 65 GLU A0 O 0 1.1245334 -11.295753 -7.098648 1 486 1 +ATOM C CB . GLU A0 1 65 . 65 GLU A0 CB 0 3.9555032 -12.310467 -6.3997803 1 487 1 +ATOM C CG . GLU A0 1 65 . 65 GLU A0 CG 0 4.7555227 -11.79895 -7.585005 1 488 1 +ATOM C CD . GLU A0 1 65 . 65 GLU A0 CD 0 5.6742573 -12.854454 -8.177475 1 489 1 +ATOM O OE1 . GLU A0 1 65 . 65 GLU A0 OE1 0 5.9616485 -13.8580475 -7.4886312 1 490 1 +ATOM O OE2 . GLU A0 1 65 . 65 GLU A0 OE2 0 6.1133537 -12.685088 -9.33666 1 491 1 +ATOM N N . ILE A0 1 66 . 66 ILE A0 N 0 2.454864 -9.460451 -7.265092 1 492 1 +ATOM C CA . ILE A0 1 66 . 66 ILE A0 CA 0 1.7060937 -8.889196 -8.366586 1 493 1 +ATOM C C . ILE A0 1 66 . 66 ILE A0 C 0 2.6647797 -8.426327 -9.44745 1 494 1 +ATOM O O . ILE A0 1 66 . 66 ILE A0 O 0 3.77557 -7.9797254 -9.165182 1 495 1 +ATOM C CB . ILE A0 1 66 . 66 ILE A0 CB 0 0.7994268 -7.710402 -7.9328475 1 496 1 +ATOM C CG1 . ILE A0 1 66 . 66 ILE A0 CG1 0 1.6170437 -6.586296 -7.300596 1 497 1 +ATOM C CG2 . ILE A0 1 66 . 66 ILE A0 CG2 0 -0.31804526 -8.20029 -7.0291443 1 498 1 +ATOM C CD1 . ILE A0 1 66 . 66 ILE A0 CD1 0 0.82541376 -5.2974615 -7.078018 1 499 1 +ATOM N N . SER A0 1 67 . 67 SER A0 N 0 2.2514591 -8.561317 -10.688441 1 500 1 +ATOM C CA . SER A0 1 67 . 67 SER A0 CA 0 2.9603152 -8.013036 -11.8368 1 501 1 +ATOM C C . SER A0 1 67 . 67 SER A0 C 0 1.9657665 -7.204051 -12.649364 1 502 1 +ATOM O O . SER A0 1 67 . 67 SER A0 O 0 0.82521296 -7.6416674 -12.85288 1 503 1 +ATOM C CB . SER A0 1 67 . 67 SER A0 CB 0 3.5703013 -9.125158 -12.6917305 1 504 1 +ATOM O OG . SER A0 1 67 . 67 SER A0 OG 0 4.638814 -9.751642 -12.018787 1 505 1 +ATOM N N . PHE A0 1 68 . 68 PHE A0 N 0 2.3869486 -6.0571523 -13.113485 1 506 1 +ATOM C CA . PHE A0 1 68 . 68 PHE A0 CA 0 1.4349787 -5.1512322 -13.7500105 1 507 1 +ATOM C C . PHE A0 1 68 . 68 PHE A0 C 0 2.140018 -4.1692057 -14.666619 1 508 1 +ATOM O O . PHE A0 1 68 . 68 PHE A0 O 0 3.3618002 -4.0003967 -14.610639 1 509 1 +ATOM C CB . PHE A0 1 68 . 68 PHE A0 CB 0 0.64443153 -4.37726 -12.677734 1 510 1 +ATOM C CG . PHE A0 1 68 . 68 PHE A0 CG 0 1.5382755 -3.6142845 -11.740234 1 511 1 +ATOM C CD1 . PHE A0 1 68 . 68 PHE A0 CD1 0 2.0587306 -4.224678 -10.608988 1 512 1 +ATOM C CD2 . PHE A0 1 68 . 68 PHE A0 CD2 0 1.877881 -2.3026748 -11.996382 1 513 1 +ATOM C CE1 . PHE A0 1 68 . 68 PHE A0 CE1 0 2.9078856 -3.534441 -9.751499 1 514 1 +ATOM C CE2 . PHE A0 1 68 . 68 PHE A0 CE2 0 2.720532 -1.6096864 -11.143377 1 515 1 +ATOM C CZ . PHE A0 1 68 . 68 PHE A0 CZ 0 3.2283652 -2.2280693 -10.025043 1 516 1 +ATOM N N . ILE A0 1 69 . 69 ILE A0 N 0 1.357164 -3.5368834 -15.496563 1 517 1 +ATOM C CA . ILE A0 1 69 . 69 ILE A0 CA 0 1.7947083 -2.4387584 -16.341576 1 518 1 +ATOM C C . ILE A0 1 69 . 69 ILE A0 C 0 1.0930865 -1.1810868 -15.8519745 1 519 1 +ATOM O O . ILE A0 1 69 . 69 ILE A0 O 0 -0.09838717 -1.2155657 -15.540537 1 520 1 +ATOM C CB . ILE A0 1 69 . 69 ILE A0 CB 0 1.4620175 -2.7150679 -17.823942 1 521 1 +ATOM C CG1 . ILE A0 1 69 . 69 ILE A0 CG1 0 2.251886 -3.9273226 -18.324556 1 522 1 +ATOM C CG2 . ILE A0 1 69 . 69 ILE A0 CG2 0 1.7403575 -1.4883411 -18.690784 1 523 1 +ATOM C CD1 . ILE A0 1 69 . 69 ILE A0 CD1 0 1.8048682 -4.432021 -19.687634 1 524 1 +ATOM N N . LEU A0 1 70 . 70 LEU A0 N 0 1.8207624 -0.08573754 -15.759895 1 525 1 +ATOM C CA . LEU A0 1 70 . 70 LEU A0 CA 0 1.237009 1.1493473 -15.253899 1 526 1 +ATOM C C . LEU A0 1 70 . 70 LEU A0 C 0 -0.028702121 1.5243506 -16.023685 1 527 1 +ATOM O O . LEU A0 1 70 . 70 LEU A0 O 0 -0.04595083 1.506269 -17.255932 1 528 1 +ATOM C CB . LEU A0 1 70 . 70 LEU A0 CB 0 2.2477822 2.2996304 -15.334334 1 529 1 +ATOM C CG . LEU A0 1 70 . 70 LEU A0 CG 0 3.4623766 2.1907783 -14.415045 1 530 1 +ATOM C CD1 . LEU A0 1 70 . 70 LEU A0 CD1 0 4.449428 3.3125067 -14.728302 1 531 1 +ATOM C CD2 . LEU A0 1 70 . 70 LEU A0 CD2 0 3.0435638 2.2286196 -12.9525795 1 532 1 +ATOM N N . GLY A0 1 71 . 71 GLY A0 N 0 -1.0713605 1.8486841 -15.27751 1 533 1 +ATOM C CA . GLY A0 1 71 . 71 GLY A0 CA 0 -2.329205 2.2749166 -15.849913 1 534 1 +ATOM C C . GLY A0 1 71 . 71 GLY A0 C 0 -3.2474148 1.1638467 -16.31225 1 535 1 +ATOM O O . GLY A0 1 71 . 71 GLY A0 O 0 -4.3710117 1.4412704 -16.73342 1 536 1 +ATOM N N . GLN A0 1 72 . 72 GLN A0 N 0 -2.7860804 -0.09355408 -16.216137 1 537 1 +ATOM C CA . GLN A0 1 72 . 72 GLN A0 CA 0 -3.5650947 -1.2259486 -16.703333 1 538 1 +ATOM C C . GLN A0 1 72 . 72 GLN A0 C 0 -4.146858 -2.0051346 -15.527456 1 539 1 +ATOM O O . GLN A0 1 72 . 72 GLN A0 O 0 -3.4019861 -2.5426126 -14.696499 1 540 1 +ATOM C CB . GLN A0 1 72 . 72 GLN A0 CB 0 -2.6896539 -2.1357646 -17.56715 1 541 1 +ATOM C CG . GLN A0 1 72 . 72 GLN A0 CG 0 -1.9528873 -1.3995447 -18.687916 1 542 1 +ATOM C CD . GLN A0 1 72 . 72 GLN A0 CD 0 -2.8931546 -0.8192062 -19.72359 1 543 1 +ATOM O OE1 . GLN A0 1 72 . 72 GLN A0 OE1 0 -3.868331 -1.4563203 -20.120968 1 544 1 +ATOM N NE2 . GLN A0 1 72 . 72 GLN A0 NE2 0 -2.6080155 0.39841872 -20.163013 1 545 1 +ATOM N N . GLU A0 1 73 . 73 GLU A0 N 0 -5.472337 -2.083221 -15.457394 1 546 1 +ATOM C CA . GLU A0 1 73 . 73 GLU A0 CA 0 -6.143156 -2.7486007 -14.348007 1 547 1 +ATOM C C . GLU A0 1 73 . 73 GLU A0 C 0 -5.880584 -4.248304 -14.372862 1 548 1 +ATOM O O . GLU A0 1 73 . 73 GLU A0 O 0 -5.8325186 -4.8693857 -15.44034 1 549 1 +ATOM C CB . GLU A0 1 73 . 73 GLU A0 CB 0 -7.648435 -2.478728 -14.413359 1 550 1 +ATOM C CG . GLU A0 1 73 . 73 GLU A0 CG 0 -8.419687 -2.9412181 -13.186654 1 551 1 +ATOM C CD . GLU A0 1 73 . 73 GLU A0 CD 0 -9.870272 -2.505303 -13.23979 1 552 1 +ATOM O OE1 . GLU A0 1 73 . 73 GLU A0 OE1 0 -10.300274 -1.7501281 -12.33416 1 553 1 +ATOM O OE2 . GLU A0 1 73 . 73 GLU A0 OE2 0 -10.568848 -2.9199824 -14.183046 1 554 1 +ATOM N N . PHE A0 1 74 . 74 PHE A0 N 0 -5.6997294 -4.843643 -13.176733 1 555 1 +ATOM C CA . PHE A0 1 74 . 74 PHE A0 CA 0 -5.4513073 -6.2738914 -13.067688 1 556 1 +ATOM C C . PHE A0 1 74 . 74 PHE A0 C 0 -6.1428394 -6.8376946 -11.835002 1 557 1 +ATOM O O . PHE A0 1 74 . 74 PHE A0 O 0 -6.5341444 -6.0940423 -10.933349 1 558 1 +ATOM C CB . PHE A0 1 74 . 74 PHE A0 CB 0 -3.9453652 -6.5716615 -13.023684 1 559 1 +ATOM C CG . PHE A0 1 74 . 74 PHE A0 CG 0 -3.2212312 -5.936865 -11.86015 1 560 1 +ATOM C CD1 . PHE A0 1 74 . 74 PHE A0 CD1 0 -2.7900763 -4.6176186 -11.9363365 1 561 1 +ATOM C CD2 . PHE A0 1 74 . 74 PHE A0 CD2 0 -2.964041 -6.653654 -10.703245 1 562 1 +ATOM C CE1 . PHE A0 1 74 . 74 PHE A0 CE1 0 -2.1205812 -4.0237136 -10.864521 1 563 1 +ATOM C CE2 . PHE A0 1 74 . 74 PHE A0 CE2 0 -2.299031 -6.0742908 -9.633366 1 564 1 +ATOM C CZ . PHE A0 1 74 . 74 PHE A0 CZ 0 -1.8782519 -4.751836 -9.71792 1 565 1 +ATOM N N . ASP A0 1 75 . 75 ASP A0 N 0 -6.284709 -8.153543 -11.808437 1 566 1 +ATOM C CA . ASP A0 1 75 . 75 ASP A0 CA 0 -6.8929176 -8.840675 -10.673952 1 567 1 +ATOM C C . ASP A0 1 75 . 75 ASP A0 C 0 -5.840418 -9.125636 -9.6185875 1 568 1 +ATOM O O . ASP A0 1 75 . 75 ASP A0 O 0 -4.72881 -9.558406 -9.932802 1 569 1 +ATOM C CB . ASP A0 1 75 . 75 ASP A0 CB 0 -7.544567 -10.14836 -11.119328 1 570 1 +ATOM C CG . ASP A0 1 75 . 75 ASP A0 CG 0 -8.708742 -9.92944 -12.062381 1 571 1 +ATOM O OD1 . ASP A0 1 75 . 75 ASP A0 OD1 0 -9.637084 -9.179345 -11.700398 1 572 1 +ATOM O OD2 . ASP A0 1 75 . 75 ASP A0 OD2 0 -8.693015 -10.517508 -13.160618 1 573 1 +ATOM N N . GLU A0 1 76 . 76 GLU A0 N 0 -6.214861 -8.913748 -8.358207 1 574 1 +ATOM C CA . GLU A0 1 76 . 76 GLU A0 CA 0 -5.3071103 -9.158015 -7.252619 1 575 1 +ATOM C C . GLU A0 1 76 . 76 GLU A0 C 0 -6.047222 -9.870489 -6.136704 1 576 1 +ATOM O O . GLU A0 1 76 . 76 GLU A0 O 0 -7.17301 -9.495083 -5.8022575 1 577 1 +ATOM C CB . GLU A0 1 76 . 76 GLU A0 CB 0 -4.7356286 -7.8264947 -6.7323666 1 578 1 +ATOM C CG . GLU A0 1 76 . 76 GLU A0 CG 0 -3.8303027 -7.970551 -5.5088263 1 579 1 +ATOM C CD . GLU A0 1 76 . 76 GLU A0 CD 0 -3.3297992 -6.6398997 -4.9814305 1 580 1 +ATOM O OE1 . GLU A0 1 76 . 76 GLU A0 OE1 0 -3.753053 -5.576995 -5.495258 1 581 1 +ATOM O OE2 . GLU A0 1 76 . 76 GLU A0 OE2 0 -2.5082333 -6.644827 -4.025074 1 582 1 +ATOM N N . VAL A0 1 77 . 77 VAL A0 N 0 -5.430396 -10.886152 -5.545696 1 583 1 +ATOM C CA . VAL A0 1 77 . 77 VAL A0 CA 0 -5.901432 -11.468868 -4.2934103 1 584 1 +ATOM C C . VAL A0 1 77 . 77 VAL A0 C 0 -4.9537125 -10.994897 -3.2065365 1 585 1 +ATOM O O . VAL A0 1 77 . 77 VAL A0 O 0 -3.7579672 -11.28027 -3.2447586 1 586 1 +ATOM C CB . VAL A0 1 77 . 77 VAL A0 CB 0 -5.9434695 -13.007788 -4.3420753 1 587 1 +ATOM C CG1 . VAL A0 1 77 . 77 VAL A0 CG1 0 -6.876322 -13.47614 -5.4531107 1 588 1 +ATOM C CG2 . VAL A0 1 77 . 77 VAL A0 CG2 0 -6.412658 -13.5537615 -2.9901462 1 589 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 -5.5005035 -10.243891 -2.2476776 1 590 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 -4.677288 -9.613901 -1.2201096 1 591 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 -4.284854 -10.610964 -0.12790872 1 592 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 -4.807203 -11.729599 -0.07394868 1 593 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 -5.4042416 -8.419151 -0.58306265 1 594 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 -6.556848 -8.901052 0.10960297 1 595 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -5.8276196 -7.4113584 -1.6538677 1 596 1 +ATOM N N . ALA A0 1 79 . 79 ALA A0 N 0 -3.374562 -10.182137 0.74624336 1 597 1 +ATOM C CA . ALA A0 1 79 . 79 ALA A0 CA 0 -2.9258585 -11.050874 1.8303136 1 598 1 +ATOM C C . ALA A0 1 79 . 79 ALA A0 C 0 -4.0758266 -11.460929 2.7460718 1 599 1 +ATOM O O . ALA A0 1 79 . 79 ALA A0 O 0 -4.0464125 -12.549696 3.3304806 1 600 1 +ATOM C CB . ALA A0 1 79 . 79 ALA A0 CB 0 -1.8264372 -10.363883 2.6364927 1 601 1 +ATOM N N . ASP A0 1 80 . 80 ASP A0 N 0 -5.0840087 -10.606474 2.8754857 1 602 1 +ATOM C CA . ASP A0 1 80 . 80 ASP A0 CA 0 -6.2675447 -10.911215 3.6756134 1 603 1 +ATOM C C . ASP A0 1 80 . 80 ASP A0 C 0 -7.391885 -11.518076 2.8440747 1 604 1 +ATOM O O . ASP A0 1 80 . 80 ASP A0 O 0 -8.543737 -11.549183 3.2802303 1 605 1 +ATOM C CB . ASP A0 1 80 . 80 ASP A0 CB 0 -6.774856 -9.6619 4.4124517 1 606 1 +ATOM C CG . ASP A0 1 80 . 80 ASP A0 CG 0 -7.1178226 -8.515263 3.4924889 1 607 1 +ATOM O OD1 . ASP A0 1 80 . 80 ASP A0 OD1 0 -6.2818637 -8.170998 2.6112971 1 608 1 +ATOM O OD2 . ASP A0 1 80 . 80 ASP A0 OD2 0 -8.214857 -7.9204435 3.6554375 1 609 1 +ATOM N N . ASP A0 1 81 . 81 ASP A0 N 0 -7.0621676 -11.982218 1.6491632 1 610 1 +ATOM C CA . ASP A0 1 81 . 81 ASP A0 CA 0 -7.9572325 -12.7425585 0.7845217 1 611 1 +ATOM C C . ASP A0 1 81 . 81 ASP A0 C 0 -9.110785 -11.930562 0.18987086 1 612 1 +ATOM O O . ASP A0 1 81 . 81 ASP A0 O 0 -10.149896 -12.499179 -0.15798795 1 613 1 +ATOM C CB . ASP A0 1 81 . 81 ASP A0 CB 0 -8.496731 -13.979738 1.5226774 1 614 1 +ATOM C CG . ASP A0 1 81 . 81 ASP A0 CG 0 -7.394888 -14.924719 1.935365 1 615 1 +ATOM O OD1 . ASP A0 1 81 . 81 ASP A0 OD1 0 -6.495048 -15.189325 1.1116009 1 616 1 +ATOM O OD2 . ASP A0 1 81 . 81 ASP A0 OD2 0 -7.415642 -15.405149 3.085022 1 617 1 +ATOM N N . ARG A0 1 82 . 82 ARG A0 N 0 -8.937254 -10.622807 0.058467507 1 618 1 +ATOM C CA . ARG A0 1 82 . 82 ARG A0 CA 0 -9.870783 -9.851679 -0.7444191 1 619 1 +ATOM C C . ARG A0 1 82 . 82 ARG A0 C 0 -9.536037 -10.054289 -2.2163224 1 620 1 +ATOM O O . ARG A0 1 82 . 82 ARG A0 O 0 -8.361175 -10.100618 -2.6017416 1 621 1 +ATOM C CB . ARG A0 1 82 . 82 ARG A0 CB 0 -9.806282 -8.351121 -0.42040667 1 622 1 +ATOM C CG . ARG A0 1 82 . 82 ARG A0 CG 0 -10.400123 -7.942642 0.9006318 1 623 1 +ATOM C CD . ARG A0 1 82 . 82 ARG A0 CD 0 -10.051224 -6.475354 1.1959069 1 624 1 +ATOM N NE . ARG A0 1 82 . 82 ARG A0 NE 0 -8.630217 -6.3645735 1.5197082 1 625 1 +ATOM C CZ . ARG A0 1 82 . 82 ARG A0 CZ 0 -7.806666 -5.443774 1.007612 1 626 1 +ATOM N NH1 . ARG A0 1 82 . 82 ARG A0 NH1 0 -8.27116 -4.5396175 0.16293669 1 627 1 +ATOM N NH2 . ARG A0 1 82 . 82 ARG A0 NH2 0 -6.5240936 -5.4521313 1.3577101 1 628 1 +ATOM N N . LYS A0 1 83 . 83 LYS A0 N 0 -10.566617 -10.178877 -3.0034354 1 629 1 +ATOM C CA . LYS A0 1 83 . 83 LYS A0 CA 0 -10.400557 -10.223413 -4.454624 1 630 1 +ATOM C C . LYS A0 1 83 . 83 LYS A0 C 0 -10.711777 -8.839598 -4.9967365 1 631 1 +ATOM O O . LYS A0 1 83 . 83 LYS A0 O 0 -11.863028 -8.3988 -4.9666195 1 632 1 +ATOM C CB . LYS A0 1 83 . 83 LYS A0 CB 0 -11.32627 -11.2771845 -5.0591493 1 633 1 +ATOM C CG . LYS A0 1 83 . 83 LYS A0 CG 0 -11.099741 -12.672511 -4.5051384 1 634 1 +ATOM C CD . LYS A0 1 83 . 83 LYS A0 CD 0 -12.1617565 -13.648365 -5.0018296 1 635 1 +ATOM C CE . LYS A0 1 83 . 83 LYS A0 CE 0 -11.973492 -15.017633 -4.3604746 1 636 1 +ATOM N NZ . LYS A0 1 83 . 83 LYS A0 NZ 0 -13.015751 -15.9847 -4.813149 1 637 1 +ATOM N N . VAL A0 1 84 . 84 VAL A0 N 0 -9.677515 -8.146887 -5.458233 1 638 1 +ATOM C CA . VAL A0 1 84 . 84 VAL A0 CA 0 -9.832499 -6.7459574 -5.8473244 1 639 1 +ATOM C C . VAL A0 1 84 . 84 VAL A0 C 0 -9.399261 -6.5130596 -7.2877226 1 640 1 +ATOM O O . VAL A0 1 84 . 84 VAL A0 O 0 -8.669537 -7.310143 -7.8781548 1 641 1 +ATOM C CB . VAL A0 1 84 . 84 VAL A0 CB 0 -9.031826 -5.800211 -4.915678 1 642 1 +ATOM C CG1 . VAL A0 1 84 . 84 VAL A0 CG1 0 -9.368521 -6.0746484 -3.4495928 1 643 1 +ATOM C CG2 . VAL A0 1 84 . 84 VAL A0 CG2 0 -7.5299597 -5.952385 -5.1553164 1 644 1 +ATOM N N . LYS A0 1 85 . 85 LYS A0 N 0 -9.878681 -5.413874 -7.837017 1 645 1 +ATOM C CA . LYS A0 1 85 . 85 LYS A0 CA 0 -9.356922 -4.889116 -9.090832 1 646 1 +ATOM C C . LYS A0 1 85 . 85 LYS A0 C 0 -8.364437 -3.7946792 -8.736287 1 647 1 +ATOM O O . LYS A0 1 85 . 85 LYS A0 O 0 -8.711139 -2.8390713 -8.038248 1 648 1 +ATOM C CB . LYS A0 1 85 . 85 LYS A0 CB 0 -10.479828 -4.3081894 -9.949378 1 649 1 +ATOM C CG . LYS A0 1 85 . 85 LYS A0 CG 0 -11.504168 -5.318634 -10.43533 1 650 1 +ATOM C CD . LYS A0 1 85 . 85 LYS A0 CD 0 -10.929386 -6.1989098 -11.537547 1 651 1 +ATOM C CE . LYS A0 1 85 . 85 LYS A0 CE 0 -12.00713 -7.0840816 -12.156468 1 652 1 +ATOM N NZ . LYS A0 1 85 . 85 LYS A0 NZ 0 -11.454983 -7.917426 -13.230631 1 653 1 +ATOM N N . SER A0 1 86 . 86 SER A0 N 0 -7.127448 -3.9293084 -9.178336 1 654 1 +ATOM C CA . SER A0 1 86 . 86 SER A0 CA 0 -6.078755 -2.9710996 -8.857813 1 655 1 +ATOM C C . SER A0 1 86 . 86 SER A0 C 0 -5.604414 -2.2369885 -10.102913 1 656 1 +ATOM O O . SER A0 1 86 . 86 SER A0 O 0 -5.497468 -2.8267884 -11.184643 1 657 1 +ATOM C CB . SER A0 1 86 . 86 SER A0 CB 0 -4.8800626 -3.6678414 -8.208938 1 658 1 +ATOM O OG . SER A0 1 86 . 86 SER A0 OG 0 -5.162674 -4.051484 -6.8702455 1 659 1 +ATOM N N . THR A0 1 87 . 87 THR A0 N 0 -5.3434715 -0.96171236 -9.948142 1 660 1 +ATOM C CA . THR A0 1 87 . 87 THR A0 CA 0 -4.6841545 -0.17117298 -10.979327 1 661 1 +ATOM C C . THR A0 1 87 . 87 THR A0 C 0 -3.565552 0.61491716 -10.31773 1 662 1 +ATOM O O . THR A0 1 87 . 87 THR A0 O 0 -3.7803602 1.2397095 -9.276967 1 663 1 +ATOM C CB . THR A0 1 87 . 87 THR A0 CB 0 -5.6524925 0.8023246 -11.677586 1 664 1 +ATOM O OG1 . THR A0 1 87 . 87 THR A0 OG1 0 -6.804988 0.097891234 -12.13913 1 665 1 +ATOM C CG2 . THR A0 1 87 . 87 THR A0 CG2 0 -4.96578 1.4604847 -12.874363 1 666 1 +ATOM N N . ILE A0 1 88 . 88 ILE A0 N 0 -2.3876777 0.56658185 -10.909214 1 667 1 +ATOM C CA . ILE A0 1 88 . 88 ILE A0 CA 0 -1.2413962 1.2817307 -10.361112 1 668 1 +ATOM C C . ILE A0 1 88 . 88 ILE A0 C 0 -0.72560143 2.2503355 -11.415162 1 669 1 +ATOM O O . ILE A0 1 88 . 88 ILE A0 O 0 -0.516954 1.8758221 -12.566828 1 670 1 +ATOM C CB . ILE A0 1 88 . 88 ILE A0 CB 0 -0.12919325 0.31780928 -9.91504 1 671 1 +ATOM C CG1 . ILE A0 1 88 . 88 ILE A0 CG1 0 -0.6897625 -0.69032586 -8.903387 1 672 1 +ATOM C CG2 . ILE A0 1 88 . 88 ILE A0 CG2 0 1.0388529 1.0946558 -9.313282 1 673 1 +ATOM C CD1 . ILE A0 1 88 . 88 ILE A0 CD1 0 0.31219882 -1.7195954 -8.413655 1 674 1 +ATOM N N . THR A0 1 89 . 89 THR A0 N 0 -0.5538648 3.4915848 -10.996889 1 675 1 +ATOM C CA . THR A0 1 89 . 89 THR A0 CA 0 -0.07954939 4.55198 -11.878151 1 676 1 +ATOM C C . THR A0 1 89 . 89 THR A0 C 0 1.112164 5.2547235 -11.239654 1 677 1 +ATOM O O . THR A0 1 89 . 89 THR A0 O 0 1.4400408 5.0248694 -10.07071 1 678 1 +ATOM C CB . THR A0 1 89 . 89 THR A0 CB 0 -1.1901388 5.58694 -12.165573 1 679 1 +ATOM O OG1 . THR A0 1 89 . 89 THR A0 OG1 0 -1.6908052 6.085463 -10.935521 1 680 1 +ATOM C CG2 . THR A0 1 89 . 89 THR A0 CG2 0 -2.327986 4.9478006 -12.959076 1 681 1 +ATOM N N . LEU A0 1 90 . 90 LEU A0 N 0 1.7477485 6.0973287 -12.013393 1 682 1 +ATOM C CA . LEU A0 1 90 . 90 LEU A0 CA 0 2.8397572 6.916896 -11.52133 1 683 1 +ATOM C C . LEU A0 1 90 . 90 LEU A0 C 0 2.3584957 8.356859 -11.4631 1 684 1 +ATOM O O . LEU A0 1 90 . 90 LEU A0 O 0 1.9222732 8.906374 -12.4804735 1 685 1 +ATOM C CB . LEU A0 1 90 . 90 LEU A0 CB 0 4.0432196 6.78591 -12.452347 1 686 1 +ATOM C CG . LEU A0 1 90 . 90 LEU A0 CG 0 5.4458466 7.0184374 -11.908834 1 687 1 +ATOM C CD1 . LEU A0 1 90 . 90 LEU A0 CD1 0 6.4410377 6.6733723 -12.997499 1 688 1 +ATOM C CD2 . LEU A0 1 90 . 90 LEU A0 CD2 0 5.708686 6.224286 -10.652713 1 689 1 +ATOM N N . ASP A0 1 91 . 91 ASP A0 N 0 2.3782687 8.948403 -10.266369 1 690 1 +ATOM C CA . ASP A0 1 91 . 91 ASP A0 CA 0 1.9155303 10.319111 -10.038133 1 691 1 +ATOM C C . ASP A0 1 91 . 91 ASP A0 C 0 3.0395126 11.101702 -9.376003 1 692 1 +ATOM O O . ASP A0 1 91 . 91 ASP A0 O 0 3.2731986 10.991924 -8.176937 1 693 1 +ATOM C CB . ASP A0 1 91 . 91 ASP A0 CB 0 0.6612968 10.317124 -9.154883 1 694 1 +ATOM C CG . ASP A0 1 91 . 91 ASP A0 CG 0 0.21851285 11.723286 -8.779227 1 695 1 +ATOM O OD1 . ASP A0 1 91 . 91 ASP A0 OD1 0 0.5297962 12.673935 -9.53873 1 696 1 +ATOM O OD2 . ASP A0 1 91 . 91 ASP A0 OD2 0 -0.4438585 11.883797 -7.731555 1 697 1 +ATOM N N . GLY A0 1 92 . 92 GLY A0 N 0 3.761683 11.891109 -10.179947 1 698 1 +ATOM C CA . GLY A0 1 92 . 92 GLY A0 CA 0 4.8427577 12.6856 -9.630998 1 699 1 +ATOM C C . GLY A0 1 92 . 92 GLY A0 C 0 5.90592 11.841605 -8.947054 1 700 1 +ATOM O O . GLY A0 1 92 . 92 GLY A0 O 0 6.393917 12.224258 -7.8696833 1 701 1 +ATOM N N . GLY A0 1 93 . 93 GLY A0 N 0 6.27664 10.740475 -9.526276 1 702 1 +ATOM C CA . GLY A0 1 93 . 93 GLY A0 CA 0 7.2990313 9.866701 -8.967781 1 703 1 +ATOM C C . GLY A0 1 93 . 93 GLY A0 C 0 6.7987256 8.914209 -7.904555 1 704 1 +ATOM O O . GLY A0 1 93 . 93 GLY A0 O 0 7.593298 8.125306 -7.3779006 1 705 1 +ATOM N N . VAL A0 1 94 . 94 VAL A0 N 0 5.521449 8.969573 -7.57459 1 706 1 +ATOM C CA . VAL A0 1 94 . 94 VAL A0 CA 0 4.933221 8.107004 -6.5595617 1 707 1 +ATOM C C . VAL A0 1 94 . 94 VAL A0 C 0 4.0942216 7.027983 -7.2384276 1 708 1 +ATOM O O . VAL A0 1 94 . 94 VAL A0 O 0 3.244112 7.335361 -8.080086 1 709 1 +ATOM C CB . VAL A0 1 94 . 94 VAL A0 CB 0 4.053645 8.918865 -5.579417 1 710 1 +ATOM C CG1 . VAL A0 1 94 . 94 VAL A0 CG1 0 3.41435 7.9966908 -4.5461464 1 711 1 +ATOM C CG2 . VAL A0 1 94 . 94 VAL A0 CG2 0 4.8756285 10.01033 -4.9038887 1 712 1 +ATOM N N . LEU A0 1 95 . 95 LEU A0 N 0 4.326598 5.774091 -6.8642654 1 713 1 +ATOM C CA . LEU A0 1 95 . 95 LEU A0 CA 0 3.489768 4.6853666 -7.3447876 1 714 1 +ATOM C C . LEU A0 1 95 . 95 LEU A0 C 0 2.1754785 4.7010117 -6.56833 1 715 1 +ATOM O O . LEU A0 1 95 . 95 LEU A0 O 0 2.1761196 4.5705833 -5.34208 1 716 1 +ATOM C CB . LEU A0 1 95 . 95 LEU A0 CB 0 4.188994 3.340479 -7.164125 1 717 1 +ATOM C CG . LEU A0 1 95 . 95 LEU A0 CG 0 5.2882695 2.997354 -8.153387 1 718 1 +ATOM C CD1 . LEU A0 1 95 . 95 LEU A0 CD1 0 6.050352 1.7624454 -7.6862197 1 719 1 +ATOM C CD2 . LEU A0 1 95 . 95 LEU A0 CD2 0 4.6924706 2.7405658 -9.538004 1 720 1 +ATOM N N . VAL A0 1 96 . 96 VAL A0 N 0 1.0813322 4.874874 -7.274487 1 721 1 +ATOM C CA . VAL A0 1 96 . 96 VAL A0 CA 0 -0.2311176 4.9836526 -6.6429024 1 722 1 +ATOM C C . VAL A0 1 96 . 96 VAL A0 C 0 -1.0906593 3.7975497 -7.059124 1 723 1 +ATOM O O . VAL A0 1 96 . 96 VAL A0 O 0 -1.4129775 3.6282473 -8.237817 1 724 1 +ATOM C CB . VAL A0 1 96 . 96 VAL A0 CB 0 -0.9329175 6.301715 -7.03271 1 725 1 +ATOM C CG1 . VAL A0 1 96 . 96 VAL A0 CG1 0 -2.2981472 6.382826 -6.3668346 1 726 1 +ATOM C CG2 . VAL A0 1 96 . 96 VAL A0 CG2 0 -0.06600395 7.497323 -6.656885 1 727 1 +ATOM N N . GLN A0 1 97 . 97 GLN A0 N 0 -1.4670794 2.989332 -6.0667043 1 728 1 +ATOM C CA . GLN A0 1 97 . 97 GLN A0 CA 0 -2.2854123 1.8133678 -6.295743 1 729 1 +ATOM C C . GLN A0 1 97 . 97 GLN A0 C 0 -3.6793413 2.0290527 -5.739189 1 730 1 +ATOM O O . GLN A0 1 97 . 97 GLN A0 O 0 -3.8369586 2.3877394 -4.569848 1 731 1 +ATOM C CB . GLN A0 1 97 . 97 GLN A0 CB 0 -1.6480896 0.58907723 -5.6386156 1 732 1 +ATOM C CG . GLN A0 1 97 . 97 GLN A0 CG 0 -2.4978116 -0.67177415 -5.732565 1 733 1 +ATOM C CD . GLN A0 1 97 . 97 GLN A0 CD 0 -1.8700812 -1.839196 -5.0067525 1 734 1 +ATOM O OE1 . GLN A0 1 97 . 97 GLN A0 OE1 0 -0.93586683 -1.6802511 -4.2254987 1 735 1 +ATOM N NE2 . GLN A0 1 97 . 97 GLN A0 NE2 0 -2.394678 -3.0403018 -5.24745 1 736 1 +ATOM N N . VAL A0 1 98 . 98 VAL A0 N 0 -4.676939 1.8303692 -6.569356 1 737 1 +ATOM C CA . VAL A0 1 98 . 98 VAL A0 CA 0 -6.0637245 1.8668656 -6.1161766 1 738 1 +ATOM C C . VAL A0 1 98 . 98 VAL A0 C 0 -6.6398215 0.4659685 -6.2394285 1 739 1 +ATOM O O . VAL A0 1 98 . 98 VAL A0 O 0 -6.5506954 -0.1631518 -7.299516 1 740 1 +ATOM C CB . VAL A0 1 98 . 98 VAL A0 CB 0 -6.9065394 2.8611 -6.942783 1 741 1 +ATOM C CG1 . VAL A0 1 98 . 98 VAL A0 CG1 0 -8.349785 2.8643422 -6.442037 1 742 1 +ATOM C CG2 . VAL A0 1 98 . 98 VAL A0 CG2 0 -6.306553 4.259021 -6.85961 1 743 1 +ATOM N N . GLN A0 1 99 . 99 GLN A0 N 0 -7.1945534 -0.029656919 -5.1326885 1 744 1 +ATOM C CA . GLN A0 1 99 . 99 GLN A0 CA 0 -7.870106 -1.3190749 -5.1056757 1 745 1 +ATOM C C . GLN A0 1 99 . 99 GLN A0 C 0 -9.367464 -1.0889102 -4.994716 1 746 1 +ATOM O O . GLN A0 1 99 . 99 GLN A0 O 0 -9.813801 -0.29222286 -4.162422 1 747 1 +ATOM C CB . GLN A0 1 99 . 99 GLN A0 CB 0 -7.4116697 -2.166154 -3.9190784 1 748 1 +ATOM C CG . GLN A0 1 99 . 99 GLN A0 CG 0 -5.9464135 -2.5578237 -3.9571853 1 749 1 +ATOM C CD . GLN A0 1 99 . 99 GLN A0 CD 0 -5.5291486 -3.3046322 -2.7102058 1 750 1 +ATOM O OE1 . GLN A0 1 99 . 99 GLN A0 OE1 0 -6.1701784 -3.2051888 -1.6613626 1 751 1 +ATOM N NE2 . GLN A0 1 99 . 99 GLN A0 NE2 0 -4.4247875 -4.0512576 -2.7907407 1 752 1 +ATOM N N . LYS A0 1 100 . 100 LYS A0 N 0 -10.139875 -1.7858785 -5.802126 1 753 1 +ATOM C CA . LYS A0 1 100 . 100 LYS A0 CA 0 -11.596933 -1.6787481 -5.764208 1 754 1 +ATOM C C . LYS A0 1 100 . 100 LYS A0 C 0 -12.209932 -3.055869 -5.571997 1 755 1 +ATOM O O . LYS A0 1 100 . 100 LYS A0 O 0 -11.811575 -4.0114307 -6.2501993 1 756 1 +ATOM C CB . LYS A0 1 100 . 100 LYS A0 CB 0 -12.135872 -1.0443219 -7.058652 1 757 1 +ATOM C CG . LYS A0 1 100 . 100 LYS A0 CG 0 -11.643108 0.36949444 -7.316257 1 758 1 +ATOM C CD . LYS A0 1 100 . 100 LYS A0 CD 0 -12.226927 0.9085987 -8.616271 1 759 1 +ATOM C CE . LYS A0 1 100 . 100 LYS A0 CE 0 -11.745665 2.3281877 -8.897661 1 760 1 +ATOM N NZ . LYS A0 1 100 . 100 LYS A0 NZ 0 -12.265681 2.8360682 -10.19653 1 761 1 +ATOM N N . TRP A0 1 101 . 101 TRP A0 N 0 -13.170047 -3.1397362 -4.664367 1 762 1 +ATOM C CA . TRP A0 1 101 . 101 TRP A0 CA 0 -13.896689 -4.38498 -4.4272842 1 763 1 +ATOM C C . TRP A0 1 101 . 101 TRP A0 C 0 -15.203116 -4.081938 -3.6936014 1 764 1 +ATOM O O . TRP A0 1 101 . 101 TRP A0 O 0 -15.254046 -3.2225704 -2.8134518 1 765 1 +ATOM C CB . TRP A0 1 101 . 101 TRP A0 CB 0 -13.044734 -5.3817215 -3.6270895 1 766 1 +ATOM C CG . TRP A0 1 101 . 101 TRP A0 CG 0 -12.958813 -5.0786 -2.1538122 1 767 1 +ATOM C CD1 . TRP A0 1 101 . 101 TRP A0 CD1 0 -13.636391 -5.743744 -1.1529348 1 768 1 +ATOM C CD2 . TRP A0 1 101 . 101 TRP A0 CD2 0 -12.22922 -4.0425196 -1.5044315 1 769 1 +ATOM N NE1 . TRP A0 1 101 . 101 TRP A0 NE1 0 -13.341597 -5.1809196 0.06902112 1 770 1 +ATOM C CE2 . TRP A0 1 101 . 101 TRP A0 CE2 0 -12.474072 -4.134795 -0.13198446 1 771 1 +ATOM C CE3 . TRP A0 1 101 . 101 TRP A0 CE3 0 -11.362076 -3.0417871 -1.9870884 1 772 1 +ATOM C CZ2 . TRP A0 1 101 . 101 TRP A0 CZ2 0 -11.895896 -3.2618802 0.7972687 1 773 1 +ATOM C CZ3 . TRP A0 1 101 . 101 TRP A0 CZ3 0 -10.781797 -2.1861076 -1.066144 1 774 1 +ATOM C CH2 . TRP A0 1 101 . 101 TRP A0 CH2 0 -11.048588 -2.3037238 0.2965356 1 775 1 +ATOM N N . ASP A0 1 102 . 102 ASP A0 N 0 -16.252907 -4.7749395 -4.02849 1 776 1 +ATOM C CA . ASP A0 1 102 . 102 ASP A0 CA 0 -17.54597 -4.686849 -3.3407283 1 777 1 +ATOM C C . ASP A0 1 102 . 102 ASP A0 C 0 -17.98129 -3.2398558 -3.0834806 1 778 1 +ATOM O O . ASP A0 1 102 . 102 ASP A0 O 0 -18.516064 -2.922259 -2.018046 1 779 1 +ATOM C CB . ASP A0 1 102 . 102 ASP A0 CB 0 -17.498814 -5.445691 -2.0039907 1 780 1 +ATOM C CG . ASP A0 1 102 . 102 ASP A0 CG 0 -17.281834 -6.9323354 -2.1783547 1 781 1 +ATOM O OD1 . ASP A0 1 102 . 102 ASP A0 OD1 0 -17.705557 -7.4789 -3.230578 1 782 1 +ATOM O OD2 . ASP A0 1 102 . 102 ASP A0 OD2 0 -16.700382 -7.564269 -1.2804341 1 783 1 +ATOM N N . GLY A0 1 103 . 103 GLY A0 N 0 -17.782648 -2.3579736 -4.035973 1 784 1 +ATOM C CA . GLY A0 1 103 . 103 GLY A0 CA 0 -18.166018 -0.9643786 -3.8923178 1 785 1 +ATOM C C . GLY A0 1 103 . 103 GLY A0 C 0 -17.271032 -0.1505267 -2.9903288 1 786 1 +ATOM O O . GLY A0 1 103 . 103 GLY A0 O 0 -17.587912 0.9965145 -2.6873713 1 787 1 +ATOM N N . LYS A0 1 104 . 104 LYS A0 N 0 -16.16534 -0.74531776 -2.5375876 1 788 1 +ATOM C CA . LYS A0 1 104 . 104 LYS A0 CA 0 -15.21548 -0.062326495 -1.6674366 1 789 1 +ATOM C C . LYS A0 1 104 . 104 LYS A0 C 0 -13.934282 0.24337476 -2.427458 1 790 1 +ATOM O O . LYS A0 1 104 . 104 LYS A0 O 0 -13.694319 -0.28876492 -3.5173268 1 791 1 +ATOM C CB . LYS A0 1 104 . 104 LYS A0 CB 0 -14.897771 -0.9259255 -0.4388659 1 792 1 +ATOM C CG . LYS A0 1 104 . 104 LYS A0 CG 0 -16.112053 -1.3656805 0.35875 1 793 1 +ATOM C CD . LYS A0 1 104 . 104 LYS A0 CD 0 -15.719418 -2.417739 1.3853021 1 794 1 +ATOM C CE . LYS A0 1 104 . 104 LYS A0 CE 0 -16.944294 -3.076682 2.0079536 1 795 1 +ATOM N NZ . LYS A0 1 104 . 104 LYS A0 NZ 0 -16.546312 -4.19654 2.8930335 1 796 1 +ATOM N N . SER A0 1 105 . 105 SER A0 N 0 -13.10956 1.0921563 -1.8244567 1 797 1 +ATOM C CA . SER A0 1 105 . 105 SER A0 CA 0 -11.850934 1.4624639 -2.4507341 1 798 1 +ATOM C C . SER A0 1 105 . 105 SER A0 C 0 -10.812792 1.7941666 -1.3903443 1 799 1 +ATOM O O . SER A0 1 105 . 105 SER A0 O 0 -11.143432 2.3468242 -0.336348 1 800 1 +ATOM C CB . SER A0 1 105 . 105 SER A0 CB 0 -12.062466 2.6654382 -3.3793068 1 801 1 +ATOM O OG . SER A0 1 105 . 105 SER A0 OG 0 -10.842414 3.1106544 -3.9435022 1 802 1 +ATOM N N . THR A0 1 106 . 106 THR A0 N 0 -9.571349 1.4450842 -1.6494795 1 803 1 +ATOM C CA . THR A0 1 106 . 106 THR A0 CA 0 -8.461481 1.8401682 -0.78808534 1 804 1 +ATOM C C . THR A0 1 106 . 106 THR A0 C 0 -7.2872257 2.2171795 -1.675632 1 805 1 +ATOM O O . THR A0 1 106 . 106 THR A0 O 0 -7.136627 1.6825103 -2.7868865 1 806 1 +ATOM C CB . THR A0 1 106 . 106 THR A0 CB 0 -8.0679035 0.71979487 0.2053584 1 807 1 +ATOM O OG1 . THR A0 1 106 . 106 THR A0 OG1 0 -7.0869055 1.2095852 1.1296756 1 808 1 +ATOM C CG2 . THR A0 1 106 . 106 THR A0 CG2 0 -7.4955997 -0.4973078 -0.52228606 1 809 1 +ATOM N N . THR A0 1 107 . 107 THR A0 N 0 -6.4588842 3.1502967 -1.2027197 1 810 1 +ATOM C CA . THR A0 1 107 . 107 THR A0 CA 0 -5.320201 3.6124969 -1.9824259 1 811 1 +ATOM C C . THR A0 1 107 . 107 THR A0 C 0 -4.022977 3.3632798 -1.218635 1 812 1 +ATOM O O . THR A0 1 107 . 107 THR A0 O 0 -3.93607 3.6367536 -0.01569973 1 813 1 +ATOM C CB . THR A0 1 107 . 107 THR A0 CB 0 -5.4434347 5.1126018 -2.3191597 1 814 1 +ATOM O OG1 . THR A0 1 107 . 107 THR A0 OG1 0 -6.584873 5.3114395 -3.1521442 1 815 1 +ATOM C CG2 . THR A0 1 107 . 107 THR A0 CG2 0 -4.2002964 5.6068687 -3.0686784 1 816 1 +ATOM N N . ILE A0 1 108 . 108 ILE A0 N 0 -3.035584 2.838318 -1.9250162 1 817 1 +ATOM C CA . ILE A0 1 108 . 108 ILE A0 CA 0 -1.713886 2.5847893 -1.3670218 1 818 1 +ATOM C C . ILE A0 1 108 . 108 ILE A0 C 0 -0.6878314 3.3377237 -2.2112184 1 819 1 +ATOM O O . ILE A0 1 108 . 108 ILE A0 O 0 -0.59981203 3.1207695 -3.4260995 1 820 1 +ATOM C CB . ILE A0 1 108 . 108 ILE A0 CB 0 -1.3909185 1.0791122 -1.3660274 1 821 1 +ATOM C CG1 . ILE A0 1 108 . 108 ILE A0 CG1 0 -2.4377623 0.30247766 -0.5559901 1 822 1 +ATOM C CG2 . ILE A0 1 108 . 108 ILE A0 CG2 0 0.013482878 0.8333603 -0.8278477 1 823 1 +ATOM C CD1 . ILE A0 1 108 . 108 ILE A0 CD1 0 -2.4811225 -1.1809796 -0.899817 1 824 1 +ATOM N N . LYS A0 1 109 . 109 LYS A0 N 0 0.05262088 4.2355723 -1.5643704 1 825 1 +ATOM C CA . LYS A0 1 109 . 109 LYS A0 CA 0 1.090705 4.9979053 -2.256176 1 826 1 +ATOM C C . LYS A0 1 109 . 109 LYS A0 C 0 2.4615536 4.5254908 -1.8041433 1 827 1 +ATOM O O . LYS A0 1 109 . 109 LYS A0 O 0 2.6946242 4.3421597 -0.59971607 1 828 1 +ATOM C CB . LYS A0 1 109 . 109 LYS A0 CB 0 0.94149816 6.5014815 -1.98187 1 829 1 +ATOM C CG . LYS A0 1 109 . 109 LYS A0 CG 0 -0.31328517 7.1178145 -2.5667725 1 830 1 +ATOM C CD . LYS A0 1 109 . 109 LYS A0 CD 0 -0.36222917 8.615132 -2.256311 1 831 1 +ATOM C CE . LYS A0 1 109 . 109 LYS A0 CE 0 -1.5673445 9.273108 -2.9267755 1 832 1 +ATOM N NZ . LYS A0 1 109 . 109 LYS A0 NZ 0 -1.6104276 10.721295 -2.6477633 1 833 1 +ATOM N N . ARG A0 1 110 . 110 ARG A0 N 0 3.3568435 4.3432317 -2.756409 1 834 1 +ATOM C CA . ARG A0 1 110 . 110 ARG A0 CA 0 4.7221026 3.9337592 -2.4651747 1 835 1 +ATOM C C . ARG A0 1 110 . 110 ARG A0 C 0 5.6658363 4.972335 -3.030162 1 836 1 +ATOM O O . ARG A0 1 110 . 110 ARG A0 O 0 5.587804 5.3183894 -4.2164545 1 837 1 +ATOM C CB . ARG A0 1 110 . 110 ARG A0 CB 0 5.0124106 2.5557318 -3.0679207 1 838 1 +ATOM C CG . ARG A0 1 110 . 110 ARG A0 CG 0 4.130726 1.4470166 -2.5013404 1 839 1 +ATOM C CD . ARG A0 1 110 . 110 ARG A0 CD 0 4.4007587 0.09933939 -3.1694403 1 840 1 +ATOM N NE . ARG A0 1 110 . 110 ARG A0 NE 0 3.6480966 -1.0016997 -2.5481348 1 841 1 +ATOM C CZ . ARG A0 1 110 . 110 ARG A0 CZ 0 2.421245 -1.3776968 -2.9304504 1 842 1 +ATOM N NH1 . ARG A0 1 110 . 110 ARG A0 NH1 0 1.7911315 -0.74191105 -3.9243002 1 843 1 +ATOM N NH2 . ARG A0 1 110 . 110 ARG A0 NH2 0 1.8098147 -2.3718276 -2.30727 1 844 1 +ATOM N N . LYS A0 1 111 . 111 LYS A0 N 0 6.5497265 5.5040007 -2.193892 1 845 1 +ATOM C CA . LYS A0 1 111 . 111 LYS A0 CA 0 7.4742804 6.54286 -2.6246333 1 846 1 +ATOM C C . LYS A0 1 111 . 111 LYS A0 C 0 8.843601 6.341315 -2.0063052 1 847 1 +ATOM O O . LYS A0 1 111 . 111 LYS A0 O 0 8.982575 5.7145834 -0.9505137 1 848 1 +ATOM C CB . LYS A0 1 111 . 111 LYS A0 CB 0 6.9413066 7.93081 -2.2365432 1 849 1 +ATOM C CG . LYS A0 1 111 . 111 LYS A0 CG 0 6.934384 8.193009 -0.7259345 1 850 1 +ATOM C CD . LYS A0 1 111 . 111 LYS A0 CD 0 6.5080953 9.627092 -0.42411327 1 851 1 +ATOM C CE . LYS A0 1 111 . 111 LYS A0 CE 0 6.4768114 9.8577175 1.0865552 1 852 1 +ATOM N NZ . LYS A0 1 111 . 111 LYS A0 NZ 0 6.1389375 11.256449 1.4176759 1 853 1 +ATOM N N . ARG A0 1 112 . 112 ARG A0 N 0 9.833626 6.8747587 -2.6713414 1 854 1 +ATOM C CA . ARG A0 1 112 . 112 ARG A0 CA 0 11.171753 6.911935 -2.099082 1 855 1 +ATOM C C . ARG A0 1 112 . 112 ARG A0 C 0 11.325543 8.19942 -1.3049407 1 856 1 +ATOM O O . ARG A0 1 112 . 112 ARG A0 O 0 10.974315 9.284959 -1.7959173 1 857 1 +ATOM C CB . ARG A0 1 112 . 112 ARG A0 CB 0 12.232399 6.834614 -3.1985197 1 858 1 +ATOM C CG . ARG A0 1 112 . 112 ARG A0 CG 0 12.470308 5.4446774 -3.7737296 1 859 1 +ATOM C CD . ARG A0 1 112 . 112 ARG A0 CD 0 13.11536 4.512559 -2.749663 1 860 1 +ATOM N NE . ARG A0 1 112 . 112 ARG A0 NE 0 14.2254505 5.132479 -2.0307205 1 861 1 +ATOM C CZ . ARG A0 1 112 . 112 ARG A0 CZ 0 15.468223 5.217947 -2.4999743 1 862 1 +ATOM N NH1 . ARG A0 1 112 . 112 ARG A0 NH1 0 15.764982 4.70662 -3.6809208 1 863 1 +ATOM N NH2 . ARG A0 1 112 . 112 ARG A0 NH2 0 16.392757 5.8159065 -1.7600148 1 864 1 +ATOM N N . GLU A0 1 113 . 113 GLU A0 N 0 11.824346 8.0605545 -0.09325889 1 865 1 +ATOM C CA . GLU A0 1 113 . 113 GLU A0 CA 0 12.116117 9.205755 0.7577556 1 866 1 +ATOM C C . GLU A0 1 113 . 113 GLU A0 C 0 13.436036 8.918749 1.4606675 1 867 1 +ATOM O O . GLU A0 1 113 . 113 GLU A0 O 0 13.552901 7.9460206 2.2037709 1 868 1 +ATOM C CB . GLU A0 1 113 . 113 GLU A0 CB 0 10.985549 9.416843 1.7646575 1 869 1 +ATOM C CG . GLU A0 1 113 . 113 GLU A0 CG 0 11.236081 10.537579 2.7561696 1 870 1 +ATOM C CD . GLU A0 1 113 . 113 GLU A0 CD 0 10.116324 10.704636 3.749851 1 871 1 +ATOM O OE1 . GLU A0 1 113 . 113 GLU A0 OE1 0 8.949923 10.847153 3.334738 1 872 1 +ATOM O OE2 . GLU A0 1 113 . 113 GLU A0 OE2 0 10.389372 10.672195 4.969839 1 873 1 +ATOM N N . ASP A0 1 114 . 114 ASP A0 N 0 14.420173 9.77438 1.2044286 1 874 1 +ATOM C CA . ASP A0 1 114 . 114 ASP A0 CA 0 15.770053 9.505218 1.6755903 1 875 1 +ATOM C C . ASP A0 1 114 . 114 ASP A0 C 0 16.197771 8.118657 1.2033625 1 876 1 +ATOM O O . ASP A0 1 114 . 114 ASP A0 O 0 16.095661 7.821998 0.0150914155 1 877 1 +ATOM C CB . ASP A0 1 114 . 114 ASP A0 CB 0 15.859139 9.653002 3.2074828 1 878 1 +ATOM C CG . ASP A0 1 114 . 114 ASP A0 CG 0 15.571991 11.07521 3.6703386 1 879 1 +ATOM O OD1 . ASP A0 1 114 . 114 ASP A0 OD1 0 15.804243 12.012658 2.8814778 1 880 1 +ATOM O OD2 . ASP A0 1 114 . 114 ASP A0 OD2 0 15.120713 11.254568 4.8187447 1 881 1 +ATOM N N . ASP A0 1 115 . 115 ASP A0 N 0 16.656088 7.259268 2.1131706 1 882 1 +ATOM C CA . ASP A0 1 115 . 115 ASP A0 CA 0 17.040836 5.902814 1.7385083 1 883 1 +ATOM C C . ASP A0 1 115 . 115 ASP A0 C 0 15.930243 4.901004 2.0033917 1 884 1 +ATOM O O . ASP A0 1 115 . 115 ASP A0 O 0 16.175999 3.695344 2.0035334 1 885 1 +ATOM C CB . ASP A0 1 115 . 115 ASP A0 CB 0 18.30106 5.4738407 2.503539 1 886 1 +ATOM C CG . ASP A0 1 115 . 115 ASP A0 CG 0 19.525597 6.255193 2.0941546 1 887 1 +ATOM O OD1 . ASP A0 1 115 . 115 ASP A0 OD1 0 19.732918 6.440413 0.8702228 1 888 1 +ATOM O OD2 . ASP A0 1 115 . 115 ASP A0 OD2 0 20.28072 6.687136 2.985584 1 889 1 +ATOM N N . LYS A0 1 116 . 116 LYS A0 N 0 14.721136 5.388491 2.19046 1 890 1 +ATOM C CA . LYS A0 1 116 . 116 LYS A0 CA 0 13.61227 4.5321193 2.5911977 1 891 1 +ATOM C C . LYS A0 1 116 . 116 LYS A0 C 0 12.573113 4.405459 1.4815835 1 892 1 +ATOM O O . LYS A0 1 116 . 116 LYS A0 O 0 12.489714 5.249372 0.5756514 1 893 1 +ATOM C CB . LYS A0 1 116 . 116 LYS A0 CB 0 12.936658 5.0910087 3.8576732 1 894 1 +ATOM C CG . LYS A0 1 116 . 116 LYS A0 CG 0 13.905406 5.370677 4.986185 1 895 1 +ATOM C CD . LYS A0 1 116 . 116 LYS A0 CD 0 13.189438 5.9274898 6.2355237 1 896 1 +ATOM C CE . LYS A0 1 116 . 116 LYS A0 CE 0 12.406278 7.206006 5.973873 1 897 1 +ATOM N NZ . LYS A0 1 116 . 116 LYS A0 NZ 0 13.242493 8.3138275 5.399097 1 898 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 11.793005 3.3582788 1.573531 1 899 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 10.603432 3.2017922 0.7620368 1 900 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 9.425507 3.347462 1.7096825 1 901 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 9.2538595 2.541807 2.6276722 1 902 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 10.589079 1.832207 0.07278183 1 903 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 9.605399 1.6016943 -1.0732727 1 904 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 9.990943 0.33268565 -1.8295178 1 905 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 8.171236 1.5130007 -0.59886754 1 906 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 8.64716 4.3978615 1.5191159 1 907 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 7.541306 4.710182 2.416501 1 908 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 6.225151 4.332806 1.7460495 1 909 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 5.958001 4.7419815 0.60819405 1 910 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 7.5370493 6.2020855 2.8030677 1 911 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 6.389839 6.5000963 3.7492862 1 912 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 8.877073 6.5769854 3.4423826 1 913 1 +ATOM N N . VAL A0 1 119 . 119 VAL A0 N 0 5.4354973 3.5488021 2.4739237 1 914 1 +ATOM C CA . VAL A0 1 119 . 119 VAL A0 CA 0 4.1541176 3.0821319 1.974185 1 915 1 +ATOM C C . VAL A0 1 119 . 119 VAL A0 C 0 3.0485103 3.715783 2.803157 1 916 1 +ATOM O O . VAL A0 1 119 . 119 VAL A0 O 0 3.0088074 3.5528436 4.0271955 1 917 1 +ATOM C CB . VAL A0 1 119 . 119 VAL A0 CB 0 4.055009 1.5378368 2.059671 1 918 1 +ATOM C CG1 . VAL A0 1 119 . 119 VAL A0 CG1 0 2.7449937 1.0595251 1.4467168 1 919 1 +ATOM C CG2 . VAL A0 1 119 . 119 VAL A0 CG2 0 5.2435675 0.8765154 1.373175 1 920 1 +ATOM N N . GLU A0 1 120 . 120 GLU A0 N 0 2.1642337 4.45826 2.1494954 1 921 1 +ATOM C CA . GLU A0 1 120 . 120 GLU A0 CA 0 1.033941 5.076268 2.8248796 1 922 1 +ATOM C C . GLU A0 1 120 . 120 GLU A0 C 0 -0.25165093 4.429456 2.3353457 1 923 1 +ATOM O O . GLU A0 1 120 . 120 GLU A0 O 0 -0.5260911 4.402902 1.1313006 1 924 1 +ATOM C CB . GLU A0 1 120 . 120 GLU A0 CB 0 0.9955514 6.5799365 2.5637116 1 925 1 +ATOM C CG . GLU A0 1 120 . 120 GLU A0 CG 0 -0.14056227 7.2839694 3.3207946 1 926 1 +ATOM C CD . GLU A0 1 120 . 120 GLU A0 CD 0 -0.3812597 8.6990185 2.8340797 1 927 1 +ATOM O OE1 . GLU A0 1 120 . 120 GLU A0 OE1 0 -0.13990436 9.646854 3.6214166 1 928 1 +ATOM O OE2 . GLU A0 1 120 . 120 GLU A0 OE2 0 -0.82148266 8.867476 1.6824467 1 929 1 +ATOM N N . CYS A0 1 121 . 121 CYS A0 N 0 -1.0158254 3.884574 3.26982 1 930 1 +ATOM C CA . CYS A0 1 121 . 121 CYS A0 CA 0 -2.2573593 3.1879277 2.9619184 1 931 1 +ATOM C C . CYS A0 1 121 . 121 CYS A0 C 0 -3.4282112 3.9571676 3.5404878 1 932 1 +ATOM O O . CYS A0 1 121 . 121 CYS A0 O 0 -3.3986769 4.327335 4.7105627 1 933 1 +ATOM C CB . CYS A0 1 121 . 121 CYS A0 CB 0 -2.2432866 1.7806797 3.558156 1 934 1 +ATOM S SG . CYS A0 1 121 . 121 CYS A0 SG 0 -0.7252031 0.9135783 3.3488061 1 935 1 +ATOM N N . VAL A0 1 122 . 122 VAL A0 N 0 -4.453538 4.1923413 2.7474427 1 936 1 +ATOM C CA . VAL A0 1 122 . 122 VAL A0 CA 0 -5.6095014 4.9634943 3.197803 1 937 1 +ATOM C C . VAL A0 1 122 . 122 VAL A0 C 0 -6.895048 4.1910887 2.9159489 1 938 1 +ATOM O O . VAL A0 1 122 . 122 VAL A0 O 0 -7.105692 3.7059762 1.7989762 1 939 1 +ATOM C CB . VAL A0 1 122 . 122 VAL A0 CB 0 -5.6716104 6.3463945 2.5117102 1 940 1 +ATOM C CG1 . VAL A0 1 122 . 122 VAL A0 CG1 0 -6.9095 7.105919 2.9637208 1 941 1 +ATOM C CG2 . VAL A0 1 122 . 122 VAL A0 CG2 0 -4.419357 7.142553 2.8050432 1 942 1 +ATOM N N . MET A0 1 123 . 123 MET A0 N 0 -7.7288513 4.086793 3.9449987 1 943 1 +ATOM C CA . MET A0 1 123 . 123 MET A0 CA 0 -9.041183 3.4591842 3.830802 1 944 1 +ATOM C C . MET A0 1 123 . 123 MET A0 C 0 -10.032605 4.268494 4.6516185 1 945 1 +ATOM O O . MET A0 1 123 . 123 MET A0 O 0 -9.935349 4.309124 5.8750305 1 946 1 +ATOM C CB . MET A0 1 123 . 123 MET A0 CB 0 -8.989007 2.0201118 4.3206186 1 947 1 +ATOM C CG . MET A0 1 123 . 123 MET A0 CG 0 -10.345864 1.3176668 4.3610873 1 948 1 +ATOM S SD . MET A0 1 123 . 123 MET A0 SD 0 -10.960094 1.0264192 2.6975503 1 949 1 +ATOM C CE . MET A0 1 123 . 123 MET A0 CE 0 -12.598875 0.3756538 3.0521412 1 950 1 +ATOM N N . LYS A0 1 124 . 124 LYS A0 N 0 -10.941726 4.920948 3.9998193 1 951 1 +ATOM C CA . LYS A0 1 124 . 124 LYS A0 CA 0 -12.034473 5.658572 4.639553 1 952 1 +ATOM C C . LYS A0 1 124 . 124 LYS A0 C 0 -11.557453 6.5253253 5.798134 1 953 1 +ATOM O O . LYS A0 1 124 . 124 LYS A0 O 0 -12.08267 6.4526644 6.904793 1 954 1 +ATOM C CB . LYS A0 1 124 . 124 LYS A0 CB 0 -13.1075535 4.6708975 5.124861 1 955 1 +ATOM C CG . LYS A0 1 124 . 124 LYS A0 CG 0 -13.724823 3.8695655 3.9838839 1 956 1 +ATOM C CD . LYS A0 1 124 . 124 LYS A0 CD 0 -14.87358 2.9842567 4.4442167 1 957 1 +ATOM C CE . LYS A0 1 124 . 124 LYS A0 CE 0 -14.538647 2.1785266 5.6742563 1 958 1 +ATOM N NZ . LYS A0 1 124 . 124 LYS A0 NZ 0 -15.601122 1.1733255 5.987398 1 959 1 +ATOM N N . GLY A0 1 125 . 125 GLY A0 N 0 -10.551532 7.3591623 5.556945 1 960 1 +ATOM C CA . GLY A0 1 125 . 125 GLY A0 CA 0 -10.069311 8.30947 6.5530186 1 961 1 +ATOM C C . GLY A0 1 125 . 125 GLY A0 C 0 -8.967773 7.813483 7.449948 1 962 1 +ATOM O O . GLY A0 1 125 . 125 GLY A0 O 0 -8.315063 8.6215515 8.127447 1 963 1 +ATOM N N . VAL A0 1 126 . 126 VAL A0 N 0 -8.742728 6.5051847 7.4852552 1 964 1 +ATOM C CA . VAL A0 1 126 . 126 VAL A0 CA 0 -7.673155 5.945874 8.3086 1 965 1 +ATOM C C . VAL A0 1 126 . 126 VAL A0 C 0 -6.411744 5.8174396 7.46148 1 966 1 +ATOM O O . VAL A0 1 126 . 126 VAL A0 O 0 -6.4412093 5.233184 6.3692946 1 967 1 +ATOM C CB . VAL A0 1 126 . 126 VAL A0 CB 0 -8.069807 4.5711403 8.881156 1 968 1 +ATOM C CG1 . VAL A0 1 126 . 126 VAL A0 CG1 0 -6.8885098 3.9365783 9.6041565 1 969 1 +ATOM C CG2 . VAL A0 1 126 . 126 VAL A0 CG2 0 -9.256775 4.717782 9.819323 1 970 1 +ATOM N N . THR A0 1 127 . 127 THR A0 N 0 -5.31341 6.3669367 7.9689474 1 971 1 +ATOM C CA . THR A0 1 127 . 127 THR A0 CA 0 -4.04288 6.3297586 7.25776 1 972 1 +ATOM C C . THR A0 1 127 . 127 THR A0 C 0 -3.0298123 5.5009985 8.032698 1 973 1 +ATOM O O . THR A0 1 127 . 127 THR A0 O 0 -2.8242176 5.7020807 9.227896 1 974 1 +ATOM C CB . THR A0 1 127 . 127 THR A0 CB 0 -3.485651 7.7479763 7.042644 1 975 1 +ATOM O OG1 . THR A0 1 127 . 127 THR A0 OG1 0 -4.393749 8.503504 6.2494545 1 976 1 +ATOM C CG2 . THR A0 1 127 . 127 THR A0 CG2 0 -2.1316657 7.6947412 6.337428 1 977 1 +ATOM N N . CYS A0 1 128 . 128 CYS A0 N 0 -2.417447 4.5726986 7.34092 1 978 1 +ATOM C CA . CYS A0 1 128 . 128 CYS A0 CA 0 -1.339641 3.7553864 7.883913 1 979 1 +ATOM C C . CYS A0 1 128 . 128 CYS A0 C 0 -0.05907403 4.094651 7.133101 1 980 1 +ATOM O O . CYS A0 1 128 . 128 CYS A0 O 0 -0.09322177 4.2945175 5.9165354 1 981 1 +ATOM C CB . CYS A0 1 128 . 128 CYS A0 CB 0 -1.6742322 2.2757344 7.712166 1 982 1 +ATOM S SG . CYS A0 1 128 . 128 CYS A0 SG 0 -0.29564574 1.1471939 7.9577613 1 983 1 +ATOM N N . THR A0 1 129 . 129 THR A0 N 0 1.0573292 4.1756835 7.858743 1 984 1 +ATOM C CA . THR A0 1 129 . 129 THR A0 CA 0 2.3460102 4.4010353 7.2269917 1 985 1 +ATOM C C . THR A0 1 129 . 129 THR A0 C 0 3.2836466 3.2500372 7.5781317 1 986 1 +ATOM O O . THR A0 1 129 . 129 THR A0 O 0 3.4588163 2.921018 8.757055 1 987 1 +ATOM C CB . THR A0 1 129 . 129 THR A0 CB 0 2.9730515 5.73337 7.677494 1 988 1 +ATOM O OG1 . THR A0 1 129 . 129 THR A0 OG1 0 2.0971496 6.804698 7.342907 1 989 1 +ATOM C CG2 . THR A0 1 129 . 129 THR A0 CG2 0 4.316659 5.948936 6.9821377 1 990 1 +ATOM N N . ARG A0 1 130 . 130 ARG A0 N 0 3.8843422 2.6766813 6.5551605 1 991 1 +ATOM C CA . ARG A0 1 130 . 130 ARG A0 CA 0 4.836504 1.581296 6.741687 1 992 1 +ATOM C C . ARG A0 1 130 . 130 ARG A0 C 0 6.1375065 1.9334793 6.038521 1 993 1 +ATOM O O . ARG A0 1 130 . 130 ARG A0 O 0 6.1247625 2.373745 4.8727894 1 994 1 +ATOM C CB . ARG A0 1 130 . 130 ARG A0 CB 0 4.2576 0.2625492 6.234576 1 995 1 +ATOM C CG . ARG A0 1 130 . 130 ARG A0 CG 0 3.1879258 -0.26416397 7.191038 1 996 1 +ATOM C CD . ARG A0 1 130 . 130 ARG A0 CD 0 2.2681072 -1.2658653 6.591003 1 997 1 +ATOM N NE . ARG A0 1 130 . 130 ARG A0 NE 0 2.8532274 -2.5720477 6.276763 1 998 1 +ATOM C CZ . ARG A0 1 130 . 130 ARG A0 CZ 0 3.0603757 -3.5518825 7.1632924 1 999 1 +ATOM N NH1 . ARG A0 1 130 . 130 ARG A0 NH1 0 2.7825058 -3.3639135 8.452738 1 1000 1 +ATOM N NH2 . ARG A0 1 130 . 130 ARG A0 NH2 0 3.5508733 -4.7077084 6.7599554 1 1001 1 +ATOM N N . VAL A0 1 131 . 131 VAL A0 N 0 7.227311 1.7892547 6.7601094 1 1002 1 +ATOM C CA . VAL A0 1 131 . 131 VAL A0 CA 0 8.529399 2.2271488 6.2790704 1 1003 1 +ATOM C C . VAL A0 1 131 . 131 VAL A0 C 0 9.440135 1.0273342 6.0538425 1 1004 1 +ATOM O O . VAL A0 1 131 . 131 VAL A0 O 0 9.587752 0.17377633 6.934985 1 1005 1 +ATOM C CB . VAL A0 1 131 . 131 VAL A0 CB 0 9.190119 3.2156718 7.2598543 1 1006 1 +ATOM C CG1 . VAL A0 1 131 . 131 VAL A0 CG1 0 10.558571 3.6453047 6.7513604 1 1007 1 +ATOM C CG2 . VAL A0 1 131 . 131 VAL A0 CG2 0 8.294872 4.4314623 7.471302 1 1008 1 +ATOM N N . TYR A0 1 132 . 132 TYR A0 N 0 10.036686 1.0048034 4.876196 1 1009 1 +ATOM C CA . TYR A0 1 132 . 132 TYR A0 CA 0 10.967926 -0.04531139 4.5016513 1 1010 1 +ATOM C C . TYR A0 1 132 . 132 TYR A0 C 0 12.357333 0.5375352 4.276009 1 1011 1 +ATOM O O . TYR A0 1 132 . 132 TYR A0 O 0 12.503719 1.6741734 3.818024 1 1012 1 +ATOM C CB . TYR A0 1 132 . 132 TYR A0 CB 0 10.513948 -0.73412657 3.211107 1 1013 1 +ATOM C CG . TYR A0 1 132 . 132 TYR A0 CG 0 9.294287 -1.601698 3.3497944 1 1014 1 +ATOM C CD1 . TYR A0 1 132 . 132 TYR A0 CD1 0 8.020184 -1.0478289 3.4614697 1 1015 1 +ATOM C CD2 . TYR A0 1 132 . 132 TYR A0 CD2 0 9.40093 -2.9888701 3.3822186 1 1016 1 +ATOM C CE1 . TYR A0 1 132 . 132 TYR A0 CE1 0 6.900014 -1.8501008 3.5949163 1 1017 1 +ATOM C CE2 . TYR A0 1 132 . 132 TYR A0 CE2 0 8.289432 -3.802746 3.5070777 1 1018 1 +ATOM C CZ . TYR A0 1 132 . 132 TYR A0 CZ 0 7.043352 -3.2250304 3.6127625 1 1019 1 +ATOM O OH . TYR A0 1 132 . 132 TYR A0 OH 0 5.9415493 -4.0134954 3.7435918 1 1020 1 +ATOM N N . GLU A0 1 133 . 133 GLU A0 N 0 13.375643 -0.23760596 4.596102 1 1021 1 +ATOM C CA . GLU A0 1 133 . 133 GLU A0 CA 0 14.753174 0.09957956 4.2864556 1 1022 1 +ATOM C C . GLU A0 1 133 . 133 GLU A0 C 0 15.365852 -1.0148674 3.4544683 1 1023 1 +ATOM O O . GLU A0 1 133 . 133 GLU A0 O 0 14.855705 -2.1269498 3.4173636 1 1024 1 +ATOM C CB . GLU A0 1 133 . 133 GLU A0 CB 0 15.55088 0.3266808 5.569787 1 1025 1 +ATOM C CG . GLU A0 1 133 . 133 GLU A0 CG 0 15.108705 1.5690111 6.324402 1 1026 1 +ATOM C CD . GLU A0 1 133 . 133 GLU A0 CD 0 15.848043 1.783891 7.6241617 1 1027 1 +ATOM O OE1 . GLU A0 1 133 . 133 GLU A0 OE1 0 15.582732 2.8092628 8.285611 1 1028 1 +ATOM O OE2 . GLU A0 1 133 . 133 GLU A0 OE2 0 16.689024 0.93381345 7.996823 1 1029 1 +ATOM N N . ARG A0 1 134 . 134 ARG A0 N 0 16.461926 -0.6975235 2.7851467 1 1030 1 +ATOM C CA . ARG A0 1 134 . 134 ARG A0 CA 0 17.094795 -1.7125661 1.9411793 1 1031 1 +ATOM C C . ARG A0 1 134 . 134 ARG A0 C 0 17.57362 -2.880825 2.784377 1 1032 1 +ATOM O O . ARG A0 1 134 . 134 ARG A0 O 0 18.132507 -2.6934211 3.859435 1 1033 1 +ATOM C CB . ARG A0 1 134 . 134 ARG A0 CB 0 18.251421 -1.0974686 1.1565874 1 1034 1 +ATOM C CG . ARG A0 1 134 . 134 ARG A0 CG 0 17.759743 -0.15059644 0.065846935 1 1035 1 +ATOM C CD . ARG A0 1 134 . 134 ARG A0 CD 0 18.767405 0.015305815 -1.0546432 1 1036 1 +ATOM N NE . ARG A0 1 134 . 134 ARG A0 NE 0 18.277811 0.9667572 -2.0633812 1 1037 1 +ATOM C CZ . ARG A0 1 134 . 134 ARG A0 CZ 0 17.559742 0.6209706 -3.1317635 1 1038 1 +ATOM N NH1 . ARG A0 1 134 . 134 ARG A0 NH1 0 17.16106 1.5650806 -3.9786072 1 1039 1 +ATOM N NH2 . ARG A0 1 134 . 134 ARG A0 NH2 0 17.244225 -0.6540056 -3.3564067 1 1040 1 +ATOM N N . ALA A0 1 135 . 135 ALA A0 N 0 17.30175 -4.0713396 2.293827 1 1041 1 +ATOM C CA . ALA A0 1 135 . 135 ALA A0 CA 0 17.672085 -5.277643 2.999698 1 1042 1 +ATOM C C . ALA A0 1 135 . 135 ALA A0 C 0 19.147598 -5.593042 2.7577202 1 1043 1 +ATOM O O . ALA A0 1 135 . 135 ALA A0 O 0 19.819965 -4.9228234 1.986996 1 1044 1 +ATOM C CB . ALA A0 1 135 . 135 ALA A0 CB 0 16.789429 -6.4532146 2.5812504 1 1045 1 +ATOM O OXT . ALA A0 1 135 . 135 ALA A0 OXT 0 19.66915 -6.5253644 3.37215 1 1046 1 +HETATM S S . DMS B0 2 1 . 1 DMS B0 S 0 18.977383 5.489238 -3.9962716 1 1047 1 +HETATM O O . DMS B0 2 1 . 1 DMS B0 O 0 18.534988 4.927407 -5.2899513 1 1048 1 +HETATM C C1 . DMS B0 2 1 . 1 DMS B0 C1 0 19.157436 7.1832128 -4.1554327 1 1049 1 +HETATM C C2 . DMS B0 2 1 . 1 DMS B0 C2 0 20.444016 4.7246704 -3.5277388 1 1050 1 +HETATM S S . DMS C1 2 1 . 1 DMS C1 S 0 1.2880569 -6.3554063 -2.5434923 1 1051 1 +HETATM O O . DMS C1 2 1 . 1 DMS C1 O 0 0.891907 -5.6930566 -1.2915893 1 1052 1 +HETATM C C1 . DMS C1 2 1 . 1 DMS C1 C1 0 2.7661862 -7.2163873 -2.3014038 1 1053 1 +HETATM C C2 . DMS C1 2 1 . 1 DMS C1 C2 0 1.5012255 -5.154567 -3.7580051 1 1054 1 +HETATM S S . DMS D2 2 1 . 1 DMS D2 S 0 -0.94072175 -10.654977 -10.302682 1 1055 1 +HETATM O O . DMS D2 2 1 . 1 DMS D2 O 0 -0.22714059 -10.041983 -11.420668 1 1056 1 +HETATM C C1 . DMS D2 2 1 . 1 DMS D2 C1 0 -2.5967736 -10.851631 -10.740289 1 1057 1 +HETATM C C2 . DMS D2 2 1 . 1 DMS D2 C2 0 -0.22596431 -12.189759 -9.953056 1 1058 1 +HETATM C C01 . MQF E0 3 1 . 1 MQF E0 C01 0 0.9388843 -6.4376135 3.808142 1 1059 1 +HETATM C C02 . MQF E0 3 1 . 1 MQF E0 C02 0 -0.38536602 -5.958395 3.5678601 1 1060 1 +HETATM N N03 . MQF E0 3 1 . 1 MQF E0 N03 0 -0.5920797 -4.736139 3.0477753 1 1061 1 +HETATM C C04 . MQF E0 3 1 . 1 MQF E0 C04 0 0.4258534 -3.905684 2.7460423 1 1062 1 +HETATM C C05 . MQF E0 3 1 . 1 MQF E0 C05 0 1.7683494 -4.3105984 2.9912386 1 1063 1 +HETATM C C06 . MQF E0 3 1 . 1 MQF E0 C06 0 1.9913982 -5.577076 3.5119882 1 1064 1 +HETATM C C13 . MQF E0 3 1 . 1 MQF E0 C13 0 -3.6821337 -6.8385587 4.7483044 1 1065 1 +HETATM C C17 . MQF E0 3 1 . 1 MQF E0 C17 0 2.9363642 -3.428545 2.6906874 1 1066 1 +HETATM C C20 . MQF E0 3 1 . 1 MQF E0 C20 0 1.2045301 -7.7824135 4.339157 1 1067 1 +HETATM C C21 . MQF E0 3 1 . 1 MQF E0 C21 0 1.162982 -8.00596 5.703781 1 1068 1 +HETATM C C22 . MQF E0 3 1 . 1 MQF E0 C22 0 1.4498737 -9.2927685 6.2077074 1 1069 1 +HETATM C C23 . MQF E0 3 1 . 1 MQF E0 C23 0 1.822445 -10.336884 5.3349824 1 1070 1 +HETATM C C24 . MQF E0 3 1 . 1 MQF E0 C24 0 1.8794411 -10.078727 3.946291 1 1071 1 +HETATM C C25 . MQF E0 3 1 . 1 MQF E0 C25 0 1.5896945 -8.802454 3.4569712 1 1072 1 +HETATM O O07 . MQF E0 3 1 . 1 MQF E0 O07 0 -1.4481087 -6.710224 3.869885 1 1073 1 +HETATM C C08 . MQF E0 3 1 . 1 MQF E0 C08 0 0.07230209 -2.5364354 2.1828628 1 1074 1 +HETATM F F09 . MQF E0 3 1 . 1 MQF E0 F09 0 0.72485703 -1.5970559 2.7925944 1 1075 1 +HETATM F F10 . MQF E0 3 1 . 1 MQF E0 F10 0 0.35076982 -2.5195312 0.8889903 1 1076 1 +HETATM F F11 . MQF E0 3 1 . 1 MQF E0 F11 0 -1.2096066 -2.2943192 2.3483868 1 1077 1 +HETATM C C12 . MQF E0 3 1 . 1 MQF E0 C12 0 -2.762575 -6.0774794 3.83829 1 1078 1 +HETATM F F14 . MQF E0 3 1 . 1 MQF E0 F14 0 -3.2012868 -6.8575153 5.962411 1 1079 1 +HETATM F F15 . MQF E0 3 1 . 1 MQF E0 F15 0 -3.767547 -8.071052 4.3268948 1 1080 1 +HETATM F F16 . MQF E0 3 1 . 1 MQF E0 F16 0 -4.871453 -6.2791896 4.7419176 1 1081 1 +HETATM O O18 . MQF E0 3 1 . 1 MQF E0 O18 0 3.2695415 -3.2340686 1.5068549 1 1082 1 +HETATM O O19 . 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0000000000000000000000000000000000000000..dfe2f30e3afdb5ffaf3665fc176d33350c9bd610 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_0.cif @@ -0,0 +1,1861 @@ +data_8e3r-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 96.48 -25.997154 13.663979 15.476629 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 97.66 -26.809748 12.412619 15.270298 1 2 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 96.48 -26.532578 11.296783 14.390614 1 3 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 96.09 -28.12167 13.228876 14.98872 1 4 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 96.09 -27.098625 11.535185 16.649498 1 5 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 97.66 -26.640926 12.000691 17.78624 1 6 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 98.83 -25.407484 11.393726 18.433647 1 7 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 98.44 -25.25971 9.943256 18.186954 1 8 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 98.44 -24.081078 12.014959 18.020027 1 9 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 98.83 -23.284128 12.191711 19.179523 1 10 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 98.44 -23.47741 10.980208 17.075657 1 11 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 98.83 -23.97538 9.670292 17.6348 1 12 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 98.83 -24.111156 8.609823 16.625408 1 13 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 98.83 -24.816856 8.646227 15.458301 1 14 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 98.44 -24.780104 7.5385284 14.764379 1 15 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 98.83 -24.001534 6.692605 15.530827 1 16 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 98.44 -23.580708 5.367059 15.351581 1 17 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 98.83 -23.914585 4.627964 14.28691 1 18 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 98.83 -22.803518 4.8217964 16.323362 1 19 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 98.44 -22.472296 5.5677004 17.396393 1 20 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 98.83 -22.802067 6.8372726 17.674093 1 21 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 98.83 -23.575459 7.3416834 16.685793 1 22 +ATOM P P . DA A0 1 2 . 2 DA A0 P 98.83 -22.026018 13.044022 19.273445 1 23 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 98.44 -21.933804 13.818079 18.024849 1 24 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 97.66 -21.999315 13.722386 20.592634 1 25 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 98.83 -20.88705 11.933121 19.256489 1 26 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 98.83 -20.805614 10.993149 20.307503 1 27 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 98.83 -19.66019 10.041859 20.085835 1 28 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 98.83 -20.04197 9.041396 19.098087 1 29 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 98.83 -18.380816 10.690199 19.576992 1 30 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 98.83 -17.277584 10.185291 20.333982 1 31 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 98.83 -18.322998 10.284814 18.105476 1 32 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 98.83 -19.04786 8.944687 18.103527 1 33 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 98.83 -19.724335 8.592435 16.861504 1 34 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 98.83 -20.50721 9.400051 16.079027 1 35 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 98.83 -21.006998 8.804598 15.0212 1 36 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 98.83 -20.526102 7.5050707 15.115219 1 37 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 98.83 -20.695675 6.370647 14.3011055 1 38 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 98.83 -21.439377 6.3727746 13.18396 1 39 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 98.83 -20.08009 5.226506 14.67164 1 40 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 98.83 -19.344429 5.236413 15.786327 1 41 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 98.83 -19.105534 6.240373 16.634964 1 42 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 98.83 -19.732615 7.3564553 16.238125 1 43 +ATOM P P . DT A0 1 3 . 3 DT A0 P 98.83 -15.793829 10.733847 20.084984 1 44 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 98.83 -15.839573 11.890368 19.164263 1 45 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 98.83 -15.149305 10.858537 21.426968 1 46 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 98.83 -15.125913 9.515003 19.318996 1 47 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 98.83 -15.514341 8.20284 19.655807 1 48 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 98.83 -14.860188 7.2006054 18.730614 1 49 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 98.83 -15.723916 6.920087 17.598824 1 50 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 98.83 -13.529629 7.643907 18.140974 1 51 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 98.83 -12.644763 6.533331 18.167267 1 52 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 98.83 -13.880991 8.043701 16.708515 1 53 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 98.83 -14.980368 7.0467434 16.408669 1 54 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 98.83 -15.928274 7.4045506 15.324487 1 55 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 98.83 -16.352928 6.394577 14.486593 1 56 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 98.83 -15.987416 5.234407 14.589619 1 57 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 98.83 -17.235157 6.7800684 13.518668 1 58 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 98.83 -17.726368 8.053452 13.302489 1 59 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 98.83 -18.525463 8.273865 12.395209 1 60 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 98.83 -17.236609 9.066183 14.216297 1 61 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 98.83 -17.7061 10.485979 14.058458 1 62 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 98.83 -16.37622 8.696001 15.171982 1 63 +ATOM P P . DA A0 1 4 . 4 DA A0 P 98.83 -11.13628 6.68055 17.81313 1 64 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 98.83 -10.9257765 7.939834 17.059467 1 65 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 98.83 -10.362657 6.4148374 19.056267 1 66 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 98.83 -10.90621 5.4689865 16.805593 1 67 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 98.83 -11.866316 4.421386 16.72431 1 68 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 98.83 -11.691368 3.661234 15.434785 1 69 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 98.83 -12.656067 4.1060405 14.444125 1 70 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 98.83 -10.331217 3.8280213 14.791888 1 71 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 98.83 -9.979308 2.5878296 14.197843 1 72 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 98.83 -10.571108 4.9207983 13.742972 1 73 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 98.83 -11.986875 4.595508 13.304904 1 74 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 98.83 -12.78293 5.7037807 12.790485 1 75 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 98.83 -12.822647 6.993311 13.241657 1 76 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 98.83 -13.673496 7.753601 12.59996 1 77 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 98.83 -14.241473 6.900939 11.659166 1 78 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 98.83 -15.217064 7.100541 10.66531 1 79 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 98.83 -15.829836 8.264433 10.452707 1 80 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 98.83 -15.547747 6.0409627 9.897062 1 81 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 98.83 -14.936825 4.871641 10.113524 1 82 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 98.83 -14.001648 4.5637784 11.017155 1 83 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 98.83 -13.695559 5.637025 11.766967 1 84 +ATOM P P . DA A0 1 5 . 5 DA A0 P 98.83 -8.603389 2.3983867 13.544219 1 85 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 98.83 -7.867147 3.684494 13.417711 1 86 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 98.83 -7.9725294 1.2368302 14.227812 1 87 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 98.83 -9.043347 1.9472709 12.08855 1 88 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 98.83 -10.2245655 1.174959 11.9251175 1 89 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 98.83 -10.619547 1.1033468 10.47282 1 90 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 98.83 -11.364115 2.290182 10.097207 1 91 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 98.83 -9.457959 0.9962375 9.495192 1 92 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 98.83 -9.822552 0.03513886 8.511186 1 93 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 98.83 -9.336828 2.411778 8.9256525 1 94 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 98.83 -10.780159 2.892435 8.964813 1 95 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 98.83 -10.999926 4.3255596 9.10511 1 96 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 98.83 -10.378297 5.193266 9.955988 1 97 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 98.83 -10.829578 6.4221306 9.887291 1 98 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 98.83 -11.825041 6.3565044 8.917234 1 99 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 98.83 -12.685653 7.324536 8.380064 1 100 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 98.83 -12.689761 8.604076 8.762616 1 101 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 98.83 -13.553031 6.931361 7.423671 1 102 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 98.83 -13.549917 5.6488504 7.0428276 1 103 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 98.83 -12.788928 4.6403475 7.4764414 1 104 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 98.83 -11.936689 5.0702915 8.425091 1 105 +ATOM P P . DA A0 1 6 . 6 DA A0 P 98.83 -8.840443 -0.37530333 7.3635216 1 106 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 98.83 -7.472062 0.13397264 7.634656 1 107 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 98.44 -9.06045 -1.8267682 7.1173854 1 108 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 98.83 -9.440956 0.43010086 6.1384363 1 109 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 98.83 -10.825891 0.3250707 5.864071 1 110 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 98.83 -11.227503 1.2379825 4.7387114 1 111 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 98.83 -11.375309 2.590711 5.2359247 1 112 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 98.83 -10.240235 1.3098443 3.578964 1 113 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 98.83 -10.952203 1.0975747 2.3701396 1 114 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 98.83 -9.666559 2.7239892 3.6683745 1 115 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 98.83 -10.802466 3.4918852 4.3225055 1 116 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 98.83 -10.432049 4.688483 5.0672984 1 117 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 98.83 -9.475254 4.810295 6.0392094 1 118 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 98.83 -9.377665 6.0161233 6.543746 1 119 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 98.83 -10.346394 6.7453938 5.855602 1 120 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 98.83 -10.744547 8.086789 5.928767 1 121 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 98.83 -10.199941 8.9756 6.7591324 1 122 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 98.83 -11.731125 8.491997 5.1061344 1 123 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 98.83 -12.27647 7.600295 4.2738514 1 124 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 98.83 -11.986269 6.30544 4.1155643 1 125 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 98.83 -10.998766 5.9381876 4.944043 1 126 +ATOM P P . DA A0 1 7 . 7 DA A0 P 98.83 -10.149575 0.95535856 0.9930451 1 127 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 98.83 -8.684666 0.92794377 1.2394301 1 128 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 98.83 -10.803886 -0.14021069 0.23355561 1 129 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 98.83 -10.49901 2.3287888 0.27490142 1 130 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 98.83 -11.849888 2.7432563 0.20700791 1 131 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 98.83 -11.949718 4.1794834 -0.23337081 1 132 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 98.83 -11.530176 5.060818 0.835504 1 133 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 98.83 -11.100026 4.5429564 -1.4508679 1 134 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 98.83 -11.949587 5.0993857 -2.4436069 1 135 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 98.83 -10.097872 5.568598 -0.9240371 1 136 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 98.83 -10.817043 6.144074 0.28253084 1 137 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 98.83 -9.966506 6.698038 1.328352 1 138 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 98.83 -8.996319 6.0567255 2.0520084 1 139 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 98.83 -8.405622 6.818157 2.9390788 1 140 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 98.83 -9.034351 8.054231 2.7949862 1 141 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 98.83 -8.86335 9.283897 3.4460876 1 142 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 98.83 -7.976209 9.489268 4.416577 1 143 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 98.83 -9.647842 10.3122635 3.0572734 1 144 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 98.83 -10.539545 10.108927 2.0837994 1 145 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 98.83 -10.793824 8.991217 1.3979005 1 146 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 98.83 -9.994616 7.9916587 1.805321 1 147 +ATOM P P . DG A0 1 8 . 8 DG A0 P 98.83 -11.449144 5.198628 -3.9483871 1 148 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 98.83 -10.151435 4.5071015 -4.110359 1 149 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 98.44 -12.613227 4.8202357 -4.811881 1 150 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 98.83 -11.202295 6.764318 -4.088684 1 151 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 98.83 -11.990033 7.6124306 -3.3106494 1 152 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 98.83 -11.595869 9.068178 -3.4309428 1 153 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 98.83 -10.885704 9.463187 -2.22373 1 154 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 98.83 -10.690336 9.439489 -4.600867 1 155 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 98.83 -11.177181 10.636077 -5.1839466 1 156 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 98.83 -9.326825 9.659115 -3.9476032 1 157 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 98.83 -9.712412 10.150291 -2.5706344 1 158 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 98.83 -8.739065 9.877073 -1.5190531 1 159 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 98.83 -8.100546 8.686375 -1.249321 1 160 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 98.83 -7.291089 8.759308 -0.2366609 1 161 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 98.83 -7.398015 10.075927 0.19778901 1 162 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 98.83 -6.7520704 10.745806 1.2562735 1 163 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 98.83 -5.923758 10.284398 2.0605145 1 164 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 98.83 -7.145855 12.078733 1.3480234 1 165 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 98.83 -8.052362 12.6824665 0.5126786 1 166 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 98.83 -8.307079 13.977197 0.7587748 1 167 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 98.83 -8.668425 12.071704 -0.48279104 1 168 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 98.83 -8.290415 10.777565 -0.5837507 1 169 +ATOM P P . DG A0 1 9 . 9 DG A0 P 98.83 -10.66074 11.107945 -6.610104 1 170 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 98.83 -9.588416 10.229077 -7.1275463 1 171 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 98.83 -11.887799 11.362353 -7.413254 1 172 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 98.83 -10.016672 12.509847 -6.2486954 1 173 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 98.83 -10.755381 13.398854 -5.450827 1 174 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 98.83 -9.912203 14.605339 -5.0965576 1 175 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 98.83 -9.058094 14.301258 -3.9710865 1 176 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 98.83 -8.988693 15.075372 -6.2056684 1 177 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 98.83 -8.942937 16.490902 -6.155893 1 178 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 98.83 -7.636221 14.458807 -5.825356 1 179 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 98.83 -7.7063093 14.538971 -4.31495 1 180 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 98.83 -6.8995476 13.586325 -3.555171 1 181 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 98.83 -6.7834306 12.2324915 -3.7549453 1 182 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 98.83 -6.01161 11.648678 -2.8828557 1 183 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 98.83 -5.593343 12.679138 -2.0501127 1 184 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 98.83 -4.735836 12.656507 -0.92012906 1 185 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 98.83 -4.1673465 11.695208 -0.39889562 1 186 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 98.83 -4.5717096 13.934069 -0.3737442 1 187 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 98.83 -5.1669655 15.083918 -0.85896784 1 188 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 98.83 -4.884753 16.215977 -0.19974744 1 189 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 98.83 -5.9713225 15.106499 -1.9142089 1 190 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 98.83 -6.1364155 13.876511 -2.4571552 1 191 +ATOM P P . DA A0 1 10 . 10 DA A0 P 98.83 -8.486055 17.361982 -7.417968 1 192 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 98.83 -8.256641 16.494442 -8.598374 1 193 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 98.83 -9.458757 18.489185 -7.485115 1 194 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 98.83 -7.0937977 17.945713 -6.9412327 1 195 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 98.83 -7.048592 18.619137 -5.7050295 1 196 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 98.83 -5.625188 18.750355 -5.2325783 1 197 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 98.83 -5.2070894 17.544674 -4.5450506 1 198 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 98.83 -4.5959234 18.988813 -6.3438725 1 199 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 98.83 -3.7750072 20.07528 -5.9733777 1 200 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 98.83 -3.7965682 17.685501 -6.3742785 1 201 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 98.83 -3.8791866 17.28154 -4.9167433 1 202 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 98.83 -3.5646327 15.893237 -4.5957985 1 203 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 98.83 -3.93193 14.750756 -5.271162 1 204 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 98.83 -3.4703856 13.643976 -4.7362165 1 205 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 98.83 -2.7525039 14.08802 -3.626039 1 206 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 98.83 -2.0188003 13.411243 -2.6406655 1 207 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 98.83 -1.874295 12.080032 -2.5955944 1 208 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 98.83 -1.4291067 14.145083 -1.6742918 1 209 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 98.83 -1.5760092 15.479813 -1.7130152 1 210 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 98.83 -2.239736 16.23204 -2.5958781 1 211 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 98.83 -2.812862 15.465387 -3.5389452 1 212 +ATOM P P . DA A0 1 11 . 11 DA A0 P 98.83 -3.0493958 20.99086 -7.0498834 1 213 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 98.83 -2.870398 20.22516 -8.307612 1 214 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 98.83 -3.7618108 22.304024 -7.050193 1 215 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 98.83 -1.6287506 21.210331 -6.379733 1 216 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 98.83 -1.578083 21.414757 -4.976493 1 217 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 98.83 -0.34181073 20.772783 -4.398116 1 218 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 98.83 -0.50630486 19.342735 -4.2808986 1 219 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 98.83 0.9283298 20.991383 -5.2225637 1 220 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 98.83 1.9271483 21.517687 -4.3690014 1 221 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 98.83 1.2815123 19.593182 -5.723386 1 222 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 98.83 0.7073581 18.729486 -4.613741 1 223 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 98.83 0.47024375 17.333424 -4.9487467 1 224 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 98.83 -0.21585393 16.817108 -6.0210257 1 225 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 98.83 -0.23348558 15.505276 -6.057646 1 226 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 98.83 0.4905442 15.136097 -4.92548 1 227 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 98.83 0.83758026 13.880203 -4.3957796 1 228 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 98.83 0.49072754 12.712439 -4.948022 1 229 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 98.83 1.5642085 13.85947 -3.2544618 1 230 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 98.83 1.9129149 15.026743 -2.6966336 1 231 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 98.83 1.6446242 16.265556 -3.108457 1 232 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 98.83 0.92062736 16.250973 -4.2398605 1 233 +ATOM P P . DG A0 1 12 . 12 DG A0 P 98.83 3.3819795 21.876518 -4.896333 1 234 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 98.83 3.461183 21.548239 -6.340449 1 235 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 98.83 3.695354 23.240326 -4.416021 1 236 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 98.83 4.282402 20.846 -4.0961437 1 237 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 98.83 4.0224495 20.583796 -2.7211165 1 238 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 98.83 5.029763 19.590408 -2.186799 1 239 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 98.83 4.608451 18.232452 -2.5082073 1 240 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 98.83 6.418598 19.75922 -2.7776113 1 241 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 98.83 7.390482 19.604149 -1.7536352 1 242 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 98.83 6.504592 18.654716 -3.8218277 1 243 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 98.83 5.6326103 17.570814 -3.2127056 1 244 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 98.83 5.002781 16.66843 -4.1713057 1 245 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 98.83 4.2057295 17.000284 -5.2386885 1 246 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 98.83 3.7783103 15.967335 -5.9119787 1 247 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 98.83 4.318981 14.880073 -5.2421093 1 248 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 98.83 4.2116356 13.491795 -5.503132 1 249 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 98.83 3.5791879 12.925428 -6.4069524 1 250 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 98.83 4.9307127 12.725235 -4.581231 1 251 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 98.83 5.6590776 13.242122 -3.536705 1 252 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 98.83 6.2834926 12.349031 -2.75435 1 253 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 98.83 5.7696104 14.5409 -3.279675 1 254 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 98.83 5.073843 15.295959 -4.168889 1 255 +ATOM P P . DT A0 1 13 . 13 DT A0 P 98.83 8.923534 19.815836 -2.1166263 1 256 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 98.83 9.041163 20.364958 -3.4893208 1 257 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 98.83 9.547403 20.53052 -0.97168076 1 258 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 98.83 9.462213 18.331917 -2.1475797 1 259 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 98.83 8.979099 17.401653 -1.2048318 1 260 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 98.83 9.814824 16.138483 -1.2642086 1 261 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 98.83 9.195122 15.185806 -2.162029 1 262 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 98.83 11.22522 16.359304 -1.7860303 1 263 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 98.83 12.124574 15.62466 -0.97179604 1 264 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 98.83 11.176603 15.858002 -3.2297149 1 265 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 98.83 10.106602 14.78129 -3.1589932 1 266 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 98.83 9.309975 14.550236 -4.398518 1 267 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 98.83 9.087828 13.25285 -4.8059883 1 268 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 98.83 9.543826 12.282663 -4.2258897 1 269 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 98.83 8.3070545 13.118887 -5.918049 1 270 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 98.83 7.7355943 14.1395 -6.65362 1 271 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 98.83 7.0408926 13.90196 -7.6369286 1 272 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 98.83 8.013309 15.476527 -6.1771426 1 273 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 98.83 7.44965 16.654417 -6.91174 1 274 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 98.83 8.773295 15.615366 -5.0821347 1 275 +ATOM P P . DG A0 1 14 . 14 DG A0 P 98.83 13.691654 15.79123 -1.098694 1 276 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 98.83 13.952829 17.006783 -1.9055929 1 277 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 98.83 14.293524 15.630674 0.2524264 1 278 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 98.83 14.076577 14.529228 -1.9587858 1 279 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 98.83 13.721668 13.24721 -1.4805293 1 280 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 98.83 14.228802 12.195244 -2.4386904 1 281 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 98.83 13.343863 12.0877285 -3.5791273 1 282 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 98.83 15.603706 12.511093 -3.005501 1 283 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 98.83 16.327333 11.304179 -3.0677218 1 284 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 98.83 15.292892 13.081375 -4.388596 1 285 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 98.83 14.068922 12.281446 -4.766606 1 286 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 98.83 13.157254 12.886957 -5.7283173 1 287 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 98.83 12.912571 14.219067 -5.959431 1 288 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 98.83 12.014019 14.4346695 -6.878576 1 289 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 98.83 11.63039 13.161737 -7.28243 1 290 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 98.83 10.688462 12.750908 -8.256126 1 291 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 98.83 9.963993 13.452394 -8.974886 1 292 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 98.83 10.612736 11.36108 -8.349169 1 293 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 98.83 11.352971 10.4810505 -7.599258 1 294 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 98.83 11.143532 9.183769 -7.8302584 1 295 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 98.83 12.242662 10.858047 -6.6881866 1 296 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 98.83 12.328069 12.2033825 -6.58323 1 297 +ATOM P P . DG A0 1 15 . 15 DG A0 P 98.83 17.820705 11.248102 -3.4459777 1 298 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 98.83 18.227936 12.527572 -4.081622 1 299 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 98.83 18.568626 10.729702 -2.2655263 1 300 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 98.83 17.818548 10.11669 -4.555139 1 301 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 98.83 17.04535 8.940655 -4.3560686 1 302 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 98.83 16.897589 8.2208395 -5.6801558 1 303 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 98.83 15.8653555 8.867055 -6.468813 1 304 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 98.83 18.172733 8.253842 -6.5135927 1 305 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 98.83 18.391994 6.991688 -7.119732 1 306 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 98.83 17.88078 9.340853 -7.5455637 1 307 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 98.83 16.384737 9.202673 -7.7315826 1 308 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 98.83 15.714119 10.417595 -8.18509 1 309 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 98.83 15.928003 11.704424 -7.7577763 1 310 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 98.83 15.187685 12.589045 -8.365528 1 311 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 98.83 14.424747 11.836782 -9.248855 1 312 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 98.83 13.441116 12.239307 -10.184088 1 313 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 98.83 13.029785 13.381992 -10.418446 1 314 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 98.83 12.912281 11.1575365 -10.880731 1 315 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 98.83 13.293659 9.848219 -10.701761 1 316 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 98.83 12.6713 8.94208 -11.465944 1 317 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 98.83 14.218718 9.457138 -9.837584 1 318 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 98.83 14.734517 10.497613 -9.1451645 1 319 +ATOM P P . DG A0 1 16 . 16 DG A0 P 98.83 19.557198 6.7963057 -8.1465645 1 320 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 98.44 20.31815 8.073772 -8.233893 1 321 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 98.83 20.260195 5.5314245 -7.8513737 1 322 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 98.83 18.7414 6.6354494 -9.500061 1 323 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 98.83 17.659431 5.706668 -9.58991 1 324 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 98.83 17.13733 5.673575 -11.012136 1 325 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 98.83 16.43498 6.916861 -11.290014 1 326 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 98.83 18.23309 5.5666146 -12.061412 1 327 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 98.44 17.747849 4.850114 -13.181431 1 328 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 98.83 18.476913 7.0204277 -12.449064 1 329 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 98.83 17.065311 7.5808144 -12.375391 1 330 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 98.83 16.970459 9.014999 -12.129141 1 331 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 98.83 17.69542 9.76352 -11.241657 1 332 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 98.83 17.375305 11.030077 -11.247426 1 333 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 98.83 16.364014 11.122143 -12.200445 1 334 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 98.83 15.624837 12.242285 -12.655845 1 335 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 98.83 15.706551 13.416985 -12.283835 1 336 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 98.83 14.703936 11.893558 -13.639273 1 337 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 98.83 14.519457 10.618677 -14.120855 1 338 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 98.83 13.583276 10.477995 -15.078066 1 339 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 98.83 15.207079 9.557419 -13.712685 1 340 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 98.83 16.107267 9.885599 -12.750149 1 341 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 95.7 11.990083 22.345104 -14.792055 1 342 +ATOM P P . DT B0 2 1 . 1 DT B0 P 97.66 13.455994 22.772034 -15.448828 1 343 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 96.48 13.947577 22.736874 -14.090612 1 344 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 96.48 12.832842 23.662548 -16.283539 1 345 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 96.09 13.980513 21.476583 -16.423082 1 346 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 97.66 13.869176 21.690449 -17.797104 1 347 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 98.83 13.29896 20.440483 -18.493383 1 348 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 98.83 14.312862 19.40915 -18.434341 1 349 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 98.83 12.073716 19.899542 -17.780556 1 350 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 98.83 11.011972 19.61056 -18.680794 1 351 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 98.83 12.547321 18.623653 -17.085958 1 352 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 98.44 13.78637 18.221828 -17.858698 1 353 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 98.83 14.785893 17.648893 -16.916702 1 354 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 98.83 15.171549 16.339306 -17.045012 1 355 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 98.83 14.786968 15.600613 -17.936455 1 356 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 98.83 16.047417 15.902014 -16.092451 1 357 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 98.44 16.554695 16.639605 -15.041899 1 358 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 98.83 17.326939 16.14619 -14.229516 1 359 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 98.83 16.113907 17.996284 -14.960297 1 360 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 98.83 16.60553 18.88898 -13.8486395 1 361 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 98.83 15.261943 18.436481 -15.895449 1 362 +ATOM P P . DC B0 2 2 . 2 DC B0 P 98.83 9.561153 19.285824 -17.942833 1 363 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 98.83 9.6708 19.50414 -16.480015 1 364 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 98.44 8.517068 19.98587 -18.724451 1 365 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 98.83 9.43832 17.717793 -18.206768 1 366 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 98.44 9.897482 17.147568 -19.420712 1 367 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 98.83 9.913232 15.635977 -19.303585 1 368 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 98.83 11.091176 15.209206 -18.549149 1 369 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 98.83 8.707674 15.059813 -18.570969 1 370 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 98.83 8.252883 13.871918 -19.214182 1 371 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 98.44 9.246494 14.745832 -17.181974 1 372 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 98.83 10.699457 14.3965645 -17.461994 1 373 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 98.83 11.604407 14.674263 -16.32139 1 374 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 98.83 12.404823 13.646347 -15.80896 1 375 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 98.83 12.341351 12.519485 -16.336338 1 376 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 98.83 13.226416 13.8997555 -14.763369 1 377 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 98.83 13.256168 15.121404 -14.242596 1 378 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 98.83 14.076048 15.331184 -13.208897 1 379 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 98.83 12.457096 16.187878 -14.732103 1 380 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 98.83 11.656126 15.921935 -15.772818 1 381 +ATOM P P . DC B0 2 3 . 3 DC B0 P 98.83 6.840439 13.256363 -18.760727 1 382 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 98.83 6.263877 14.094433 -17.679615 1 383 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 98.83 6.088854 13.070978 -20.034595 1 384 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 98.83 7.1557665 11.8243885 -18.135616 1 385 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 98.83 8.349275 11.132816 -18.443668 1 386 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 98.83 8.475141 9.921207 -17.526855 1 387 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 98.83 9.453546 10.20869 -16.483448 1 388 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 98.83 7.191087 9.5515 -16.799965 1 389 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 98.83 7.087388 8.135731 -16.694666 1 390 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 98.83 7.3518353 10.194743 -15.426043 1 391 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 98.83 8.852951 10.112578 -15.207115 1 392 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 98.83 9.3859415 11.205289 -14.366835 1 393 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 98.83 10.380526 10.923082 -13.422276 1 394 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 98.83 10.798324 9.759277 -13.324877 1 395 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 98.83 10.858618 11.9268875 -12.658279 1 396 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 98.83 10.384577 13.165838 -12.808283 1 397 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 98.83 10.880537 14.125504 -12.032091 1 398 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 98.83 9.369727 13.476564 -13.755142 1 399 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 98.83 8.909185 12.474511 -14.510071 1 400 +ATOM P P . DC B0 2 4 . 4 DC B0 P 98.83 5.767125 7.4808617 -16.051056 1 401 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 98.83 4.938124 8.511827 -15.386637 1 402 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 98.83 5.1844006 6.6478004 -17.131569 1 403 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 98.83 6.344958 6.5215836 -14.924507 1 404 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 98.83 7.693985 6.112429 -14.964039 1 405 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 98.83 8.168636 5.6950274 -13.58374 1 406 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 98.83 8.691347 6.84035 -12.862351 1 407 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 98.83 7.0933437 5.1044464 -12.691967 1 408 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 98.83 7.694242 4.091807 -11.906124 1 409 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 98.83 6.663286 6.2901926 -11.821444 1 410 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 98.83 7.990876 7.002417 -11.639849 1 411 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 98.83 7.9291134 8.457614 -11.3733635 1 412 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 98.83 8.838381 9.006182 -10.473035 1 413 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 98.83 9.652998 8.264766 -9.902927 1 414 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 98.83 8.811067 10.33584 -10.251271 1 415 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 98.83 7.929759 11.110762 -10.887873 1 416 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 98.83 7.9391823 12.414787 -10.641936 1 417 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 98.83 6.9872894 10.563438 -11.808968 1 418 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 98.83 7.0269995 9.248458 -12.020502 1 419 +ATOM P P . DA B0 2 5 . 5 DA B0 P 98.83 6.8803196 2.7813578 -11.511183 1 420 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 98.83 5.453751 2.9705505 -11.877756 1 421 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 98.83 7.6431065 1.6118089 -11.999528 1 422 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 98.83 6.990288 2.8103828 -9.93475 1 423 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 98.83 8.266315 2.8757248 -9.326462 1 424 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 98.83 8.163369 3.5230417 -7.9647055 1 425 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 98.83 8.007313 4.9586253 -8.115092 1 426 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 98.83 6.976138 3.0549946 -7.1157227 1 427 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 98.83 7.443544 2.8535533 -5.791704 1 428 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 98.83 6.0023646 4.2365065 -7.1985683 1 429 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 98.83 6.9902263 5.391119 -7.2498894 1 430 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 98.83 6.4922466 6.6725044 -7.709791 1 431 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 98.83 5.476556 6.9299684 -8.597373 1 432 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 98.83 5.2533236 8.202824 -8.802092 1 433 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 98.83 6.193806 8.831637 -7.9953184 1 434 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 98.83 6.479035 10.186473 -7.759137 1 435 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 98.83 5.8203716 11.192375 -8.331251 1 436 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 98.83 7.480953 10.47658 -6.900626 1 437 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 98.83 8.14315 9.465822 -6.3254333 1 438 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 98.83 7.95768 8.152859 -6.4712014 1 439 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 98.83 6.959646 7.90479 -7.325863 1 440 +ATOM P P . DC B0 2 6 . 6 DC B0 P 98.83 6.585229 1.925952 -4.8051343 1 441 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 98.83 6.05896 0.78449476 -5.585701 1 442 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 98.83 7.4242153 1.6688621 -3.5900729 1 443 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 98.83 5.370171 2.8857765 -4.43779 1 444 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 98.83 5.2614307 3.4515128 -3.150621 1 445 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 98.83 6.1881075 4.6095243 -2.9451292 1 446 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 98.83 6.0026503 5.6067095 -3.9879127 1 447 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 98.83 5.963803 5.344143 -1.6309209 1 448 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 98.83 7.190255 5.623864 -0.98309785 1 449 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 98.83 5.293559 6.6477623 -2.061156 1 450 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 98.83 5.8891683 6.878282 -3.4113255 1 451 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 98.83 5.0651875 7.7702627 -4.2696476 1 452 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 98.83 5.321644 9.141936 -4.261092 1 453 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 98.83 6.236717 9.590489 -3.573854 1 454 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 98.83 4.557685 9.950726 -5.0278926 1 455 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 98.83 3.5764241 9.439632 -5.777716 1 456 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 98.83 2.8577006 10.276466 -6.514979 1 457 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 98.83 3.3171 8.034135 -5.7947893 1 458 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 98.83 4.074874 7.2431345 -5.034469 1 459 +ATOM P P . DT B0 2 7 . 7 DT B0 P 98.83 7.1639514 5.89285 0.5978708 1 460 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 98.83 6.0319858 5.16663 1.2345959 1 461 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 98.83 8.550263 5.6839886 1.0884373 1 462 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 98.83 6.8298454 7.446844 0.67979985 1 463 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 98.83 7.7754636 8.389809 0.24748352 1 464 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 98.83 7.327392 9.797706 0.5928818 1 465 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 98.83 6.3242664 10.24082 -0.3540269 1 466 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 98.83 6.6968393 9.977472 1.9775221 1 467 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 98.83 7.2320633 11.183366 2.5144053 1 468 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 98.83 5.1982718 10.103073 1.6897397 1 469 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 98.83 5.2240305 10.795811 0.3399719 1 470 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 98.83 4.064611 10.635216 -0.5807023 1 471 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 98.83 3.5973742 11.7743025 -1.1947749 1 472 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 98.83 4.034072 12.8859625 -0.9554524 1 473 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 98.83 2.5987446 11.569872 -2.1110883 1 474 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 98.83 2.032888 10.363607 -2.4571261 1 475 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 98.83 1.1491151 10.305109 -3.3084278 1 476 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 98.83 2.5599241 9.208491 -1.7688477 1 477 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 98.83 1.999023 7.852257 -2.0696938 1 478 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 98.83 3.5376081 9.400704 -0.8753245 1 479 +ATOM P P . DT B0 2 8 . 8 DT B0 P 98.83 7.106163 11.541441 4.054185 1 480 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 98.83 6.519247 10.402406 4.7967567 1 481 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 98.44 8.428831 12.091711 4.46027 1 482 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 98.83 6.051736 12.72842 4.0458794 1 483 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 98.83 6.3237906 13.876844 3.2694685 1 484 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 98.83 5.1233945 14.798981 3.214315 1 485 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 98.83 4.182023 14.342813 2.2062368 1 486 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 98.83 4.318646 14.934824 4.5107803 1 487 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 98.83 4.2218466 16.32566 4.8029256 1 488 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 98.83 2.9588897 14.320425 4.1826553 1 489 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 98.83 2.8758192 14.535619 2.6816192 1 490 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 98.83 2.0017307 13.604812 1.9088172 1 491 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 98.83 1.2021793 14.136387 0.9075109 1 492 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 98.83 1.1550729 15.326118 0.6505625 1 493 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 98.83 0.46141523 13.218666 0.2088562 1 494 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 98.83 0.44426936 11.85477 0.42148528 1 495 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 98.83 -0.257344 11.117794 -0.27198312 1 496 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 98.83 1.2975893 11.360751 1.4812464 1 497 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 98.83 1.3366238 9.893576 1.7903235 1 498 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 98.83 2.0266178 12.253361 2.1668432 1 499 +ATOM P P . DC B0 2 9 . 9 DC B0 P 98.83 3.4950292 16.827034 6.1771336 1 500 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 98.83 3.3981616 15.710475 7.144492 1 501 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 98.44 4.1796036 18.090645 6.5672545 1 502 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 98.83 2.03054 17.192242 5.6760054 1 503 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 98.83 1.880632 18.002535 4.5340824 1 504 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 98.83 0.41839203 18.241863 4.239312 1 505 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 98.83 -0.073841006 17.199406 3.3476446 1 506 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 98.83 -0.5057994 18.238384 5.4610624 1 507 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 98.83 -1.2946095 19.415953 5.4430866 1 508 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 98.83 -1.356044 16.988384 5.277508 1 509 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 98.83 -1.3512638 16.81852 3.7717247 1 510 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 98.83 -1.612755 15.445583 3.2855573 1 511 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 98.83 -2.472755 15.255295 2.1939914 1 512 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 98.83 -2.9744265 16.250498 1.6416631 1 513 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 98.83 -2.72956 14.003669 1.7601861 1 514 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 98.83 -2.169589 12.962721 2.3810947 1 515 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 98.83 -2.4562886 11.736242 1.923813 1 516 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 98.83 -1.2930143 13.125937 3.4957569 1 517 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 98.83 -1.04245 14.375616 3.9099727 1 518 +ATOM P P . DC B0 2 10 . 10 DC B0 P 98.83 -2.2129292 19.79175 6.744026 1 519 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 98.83 -1.9987271 18.804733 7.828235 1 520 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 98.83 -1.9869304 21.242296 6.992687 1 521 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 98.83 -3.6889944 19.607376 6.1794972 1 522 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 98.83 -4.009526 20.12399 4.902757 1 523 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 98.83 -5.261361 19.478642 4.3818407 1 524 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 98.83 -4.968808 18.132418 3.8942337 1 525 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 98.83 -6.3908863 19.316006 5.4093695 1 526 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 98.83 -7.5949745 19.80304 4.8543158 1 527 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 98.83 -6.4697323 17.813316 5.6148586 1 528 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 98.83 -6.042099 17.318977 4.245282 1 529 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 98.83 -5.663534 15.889209 4.2079277 1 530 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 98.83 -6.1988215 15.09257 3.196433 1 531 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 98.83 -6.9184175 15.612133 2.33681 1 532 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 98.83 -5.9148827 13.769963 3.182 1 533 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 98.83 -5.1317167 13.244856 4.1259184 1 534 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 98.83 -4.887455 11.938498 4.0743876 1 535 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 98.83 -4.5664907 14.04337 5.169551 1 536 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 98.83 -4.856419 15.350637 5.1687202 1 537 +ATOM P P . DT B0 2 11 . 11 DT B0 P 98.83 -8.924223 19.913122 5.784198 1 538 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 98.83 -8.801692 19.06559 6.9912605 1 539 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 98.83 -9.207092 21.36008 5.903286 1 540 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 98.83 -10.024855 19.25819 4.8341455 1 541 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 98.83 -10.023763 19.55465 3.447309 1 542 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 98.83 -10.879029 18.555162 2.6982064 1 543 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 98.83 -10.236448 17.254005 2.7098825 1 544 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 98.83 -12.268965 18.347794 3.2945752 1 545 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 98.83 -13.213108 18.317562 2.2367377 1 546 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 98.83 -12.162149 17.007334 4.019889 1 547 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 98.83 -11.141544 16.272402 3.1689787 1 548 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 98.83 -10.351133 15.214415 3.8686619 1 549 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 98.83 -10.381834 13.933293 3.368886 1 550 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 98.83 -11.030708 13.604045 2.3850875 1 551 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 98.83 -9.618536 13.028472 4.056301 1 552 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 98.83 -8.846439 13.273404 5.1751738 1 553 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 98.83 -8.194359 12.376758 5.705061 1 554 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 98.83 -8.864668 14.637878 5.6493773 1 555 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 98.83 -8.056686 15.007622 6.860446 1 556 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 98.83 -9.604275 15.531001 4.982379 1 557 +ATOM P P . DT B0 2 12 . 12 DT B0 P 98.83 -14.7861595 18.406898 2.549157 1 558 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 98.83 -15.003768 18.389938 4.0218906 1 559 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 98.44 -15.315512 19.516249 1.7251087 1 560 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 98.83 -15.32822 17.03778 1.9569954 1 561 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 98.83 -14.505238 15.908639 2.0478601 1 562 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 98.83 -15.082247 14.742231 1.3038864 1 563 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 98.83 -14.2693405 13.607849 1.6441205 1 564 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 98.83 -16.50357 14.344517 1.696173 1 565 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 98.83 -17.121035 13.700459 0.58785117 1 566 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 98.83 -16.267412 13.416758 2.883131 1 567 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 98.83 -14.952938 12.740708 2.5259683 1 568 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 98.83 -14.049908 12.462563 3.6800961 1 569 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 98.83 -13.43272 11.238653 3.7404935 1 570 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 98.83 -13.591915 10.371918 2.8968072 1 571 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 98.83 -12.60466 11.054455 4.8240595 1 572 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 98.83 -12.348236 11.963039 5.8280544 1 573 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 98.83 -11.585856 11.685786 6.7452507 1 574 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 98.83 -13.0309515 13.232475 5.7050276 1 575 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 98.83 -12.819293 14.284697 6.746707 1 576 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 98.83 -13.838625 13.418721 4.647513 1 577 +ATOM P P . DT B0 2 13 . 13 DT B0 P 98.83 -18.538948 12.961189 0.8073386 1 578 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 98.83 -19.22081 13.5032 2.006838 1 579 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 98.83 -19.194202 13.038511 -0.52453923 1 580 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 98.83 -18.1627 11.443768 1.0840294 1 581 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 98.83 -17.29644 10.768532 0.18588175 1 582 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 98.83 -17.140059 9.30954 0.56923306 1 583 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 98.83 -16.303633 9.181715 1.7465518 1 584 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 98.83 -18.43674 8.571302 0.8921593 1 585 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 98.83 -18.34709 7.2827845 0.27869016 1 586 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 98.83 -18.435076 8.479145 2.4178119 1 587 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 98.83 -16.948841 8.371426 2.71273 1 588 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 98.83 -16.465107 8.844555 4.0417767 1 589 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 98.83 -15.596846 8.033995 4.7358475 1 590 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 98.83 -15.250475 6.924592 4.344969 1 591 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 98.83 -15.126049 8.557857 5.9048347 1 592 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 98.83 -15.432191 9.788072 6.450211 1 593 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 98.83 -14.933599 10.148083 7.511317 1 594 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 98.83 -16.362587 10.582901 5.683081 1 595 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 98.83 -16.770077 11.933755 6.1928635 1 596 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 98.83 -16.822718 10.082554 4.5283947 1 597 +ATOM P P . DT B0 2 14 . 14 DT B0 P 98.83 -19.572048 6.209264 0.3839007 1 598 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 98.83 -20.766739 6.899961 0.91934055 1 599 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 98.83 -19.62367 5.522188 -0.9320023 1 600 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 98.83 -19.063725 5.1628942 1.4636853 1 601 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 98.83 -17.835968 4.4939775 1.2363393 1 602 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 98.83 -17.482962 3.5970924 2.4133053 1 603 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 98.83 -17.085938 4.3925867 3.5556393 1 604 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 98.83 -18.607721 2.692141 2.9055252 1 605 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 98.83 -18.057892 1.382257 3.0332808 1 606 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 98.83 -19.006903 3.2784228 4.256135 1 607 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 98.83 -17.6921 3.8736289 4.7227755 1 608 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 98.83 -17.746378 4.9799294 5.712612 1 609 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 98.83 -16.902378 4.9325433 6.7967324 1 610 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 98.83 -16.131058 4.0077486 7.013582 1 611 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 98.83 -16.966948 6.0084953 7.627983 1 612 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 98.83 -17.78651 7.10747 7.48933 1 613 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 98.83 -17.760502 8.027563 8.303903 1 614 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 98.83 -18.655067 7.0912294 6.3392878 1 615 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 98.83 -19.586788 8.239042 6.094009 1 616 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 98.83 -18.592781 6.042713 5.514374 1 617 +ATOM P P . DA B0 2 15 . 15 DA B0 P 98.83 -18.945595 0.1326708 3.4987383 1 618 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 98.83 -20.381174 0.5058331 3.5612326 1 619 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 98.83 -18.495026 -1.0078255 2.654594 1 620 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 98.83 -18.438717 -0.11626215 4.988089 1 621 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 98.83 -17.060135 -0.11167464 5.2616744 1 622 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 98.83 -16.806332 -0.38493508 6.7308507 1 623 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 98.83 -16.91929 0.8484616 7.48789 1 624 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 98.83 -17.76168 -1.3779668 7.379492 1 625 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 98.83 -16.980564 -2.3017788 8.128741 1 626 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 98.83 -18.662825 -0.49623036 8.254671 1 627 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 98.83 -17.743183 0.6582672 8.61643 1 628 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 98.83 -18.381037 1.9421483 8.884254 1 629 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 98.83 -19.356236 2.5553613 8.145264 1 630 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 98.83 -19.70569 3.7320347 8.605334 1 631 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 98.83 -18.903574 3.906694 9.730337 1 632 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 98.83 -18.793566 4.958625 10.655008 1 633 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 98.83 -19.515987 6.0724983 10.602452 1 634 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 98.83 -17.899555 4.8122096 11.658246 1 635 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 98.83 -17.172123 3.6906016 11.71451 1 636 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 98.83 -17.187634 2.6383903 10.895597 1 637 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 98.83 -18.08485 2.8099756 9.909437 1 638 +ATOM P P . DT B0 2 16 . 16 DT B0 P 98.83 -17.63461 -3.4349034 9.039683 1 639 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 98.83 -19.07927 -3.5805902 8.726925 1 640 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 98.83 -16.73401 -4.616993 8.979422 1 641 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 98.44 -17.515451 -2.7855802 10.482971 1 642 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 98.83 -16.281939 -2.212452 10.8912525 1 643 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 98.83 -16.379501 -1.755394 12.323803 1 644 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 98.83 -16.992085 -0.42842954 12.3732395 1 645 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 98.83 -17.233215 -2.6532903 13.211737 1 646 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 98.83 -16.61684 -2.7687383 14.486465 1 647 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 98.83 -18.549986 -1.8857489 13.321908 1 648 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 98.83 -18.042192 -0.4489655 13.321857 1 649 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 98.83 -19.014513 0.60374093 12.955013 1 650 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 98.83 -18.954916 1.7988399 13.643296 1 651 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 98.83 -18.14669 2.021422 14.52977 1 652 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 98.83 -19.872211 2.73639 13.256607 1 653 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 98.83 -20.820805 2.602294 12.256321 1 654 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 98.83 -21.589966 3.5229878 11.997847 1 655 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 98.83 -20.832726 1.319835 11.576139 1 656 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 98.83 -21.837051 1.0622334 10.4794655 1 657 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 98.83 -19.936749 0.39498785 11.953544 1 658 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 87.5 25.08152 8.196528 -8.033491 1 659 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 91.8 23.794422 8.597871 -7.4605637 1 660 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 94.14 22.637106 7.675864 -7.778508 1 661 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 91.41 21.471165 8.085882 -7.669883 1 662 +ATOM N N . SER C0 3 2 . 2 SER C0 N 92.97 22.938278 6.4586716 -8.132741 1 663 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 94.92 21.893581 5.505416 -8.482706 1 664 +ATOM C C . SER C0 3 2 . 2 SER C0 C 95.7 21.577518 4.576748 -7.3168616 1 665 +ATOM O O . SER C0 3 2 . 2 SER C0 O 93.36 22.478434 4.133573 -6.6133585 1 666 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 92.19 22.300896 4.6872034 -9.705797 1 667 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 90.62 23.23213 3.6712904 -9.370284 1 668 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 90.23 20.293686 4.3030996 -7.139426 1 669 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 95.7 19.840946 3.3867881 -6.1002846 1 670 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 97.27 18.6848 2.5354462 -6.6016874 1 671 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 95.7 17.713142 3.0427904 -7.1581497 1 672 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 92.58 19.433662 4.1503077 -4.8366737 1 673 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 92.19 20.570227 4.4478693 -3.8726983 1 674 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 90.23 20.101656 4.3758874 -2.4096806 1 675 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 89.45 21.271381 4.200757 -1.4647712 1 676 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 87.11 20.83775 3.8038478 -0.10264888 1 677 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 93.36 18.821724 1.2353328 -6.4060965 1 678 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 96.88 17.772097 0.2951151 -6.752404 1 679 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 97.66 16.81356 0.23289427 -5.5720205 1 680 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 96.48 16.764812 -0.7599608 -4.8276687 1 681 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 94.53 18.406662 -1.0752945 -7.027715 1 682 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 94.53 17.418924 -2.1807241 -7.3033805 1 683 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 93.75 18.045975 -3.5568311 -7.0345206 1 684 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 92.58 18.928696 -4.0255785 -8.173747 1 685 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 91.02 19.433075 -5.398986 -7.9358225 1 686 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 96.09 16.06827 1.3096366 -5.372302 1 687 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 98.05 15.2248335 1.4614463 -4.191706 1 688 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 98.83 14.07766 0.4658814 -4.1650105 1 689 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 98.44 13.279037 0.39649695 -5.1045628 1 690 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 96.48 14.69157 2.9040418 -4.10867 1 691 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 95.7 14.258682 3.3278563 -2.7250803 1 692 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 95.31 13.211953 4.4723167 -2.7917118 1 693 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 94.53 13.767305 5.808891 -3.2345405 1 694 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 93.36 14.368855 6.577979 -2.1154184 1 695 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 98.83 13.980053 -0.27976218 -3.0834002 1 696 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 98.83 12.964567 -1.3056376 -2.9042952 1 697 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 98.83 11.550886 -0.7261271 -2.9581792 1 698 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 98.83 11.300111 0.38330132 -2.484761 1 699 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 98.44 13.178074 -2.0854053 -1.5814936 1 700 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 98.44 12.292473 -3.32752 -1.5281514 1 701 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 98.44 12.922367 -1.1765268 -0.38489896 1 702 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 98.05 12.573419 -4.2410226 -0.33858895 1 703 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 98.83 10.638599 -1.4876863 -3.5392666 1 704 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 98.83 9.246544 -1.0614765 -3.616153 1 705 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 98.83 8.473169 -1.5913067 -2.4201927 1 706 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 98.83 8.850226 -2.6254792 -1.8395145 1 707 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 98.83 8.621175 -1.5595655 -4.92798 1 708 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 98.44 9.519678 -1.3311533 -6.1112337 1 709 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 98.44 8.901268 -1.2298799 -7.4954805 1 710 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 98.44 7.482193 -0.952428 -7.5567584 1 711 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 98.44 6.8065367 -0.8502078 -8.693798 1 712 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 98.44 7.4189277 -0.9939455 -9.848484 1 713 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 98.44 5.5087867 -0.5972641 -8.654682 1 714 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 98.83 7.395925 -0.90940034 -2.055944 1 715 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 98.83 6.6056204 -1.2765846 -0.89057875 1 716 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 98.83 6.1081047 -2.7240615 -0.94644976 1 717 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 98.83 6.224742 -3.4622414 0.037050366 1 718 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 98.83 5.4176707 -0.31902725 -0.7160827 1 719 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 98.83 4.455599 -0.63958037 0.43789557 1 720 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 98.83 3.28842 0.3455872 0.42839086 1 721 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 98.83 5.1757503 -0.60416406 1.7758436 1 722 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 98.83 5.5604753 -3.133851 -2.0925312 1 723 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 98.83 5.0199413 -4.490569 -2.1841893 1 724 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 98.83 6.093332 -5.5522666 -1.9670352 1 725 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 98.83 5.81968 -6.610721 -1.3887062 1 726 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 98.83 4.269456 -4.7087784 -3.5099676 1 727 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 98.83 5.1207166 -4.7978873 -4.752898 1 728 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 98.83 5.2094917 -3.7394304 -5.64256 1 729 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 98.83 5.8156977 -5.971321 -5.053349 1 730 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 98.44 5.9749312 -3.8278394 -6.7995815 1 731 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 98.83 6.582503 -6.065649 -6.202341 1 732 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 98.44 6.6611137 -4.991238 -7.061311 1 733 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 98.44 7.4224105 -5.084201 -8.211782 1 734 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 98.83 7.324768 -5.2657933 -2.4109564 1 735 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 98.83 8.429635 -6.203178 -2.2079358 1 736 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 98.83 8.823002 -6.2743874 -0.74380684 1 737 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 98.83 9.105513 -7.3523903 -0.21711668 1 738 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 98.83 9.6403885 -5.8109584 -3.0422509 1 739 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 98.44 9.770142 -6.593125 -4.339389 1 740 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 98.44 9.81608 -8.098024 -4.103187 1 741 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 98.44 10.357854 -8.605127 -3.1153705 1 742 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 98.05 9.221387 -8.852343 -5.0120664 1 743 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 98.83 8.846371 -5.120356 -0.09023696 1 744 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 98.83 9.152324 -5.0339537 1.3366251 1 745 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 98.83 8.181986 -5.898532 2.1392117 1 746 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 98.83 8.586918 -6.6788073 3.002244 1 747 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 98.83 9.072439 -3.5802886 1.801249 1 748 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 98.83 9.175644 -3.3972075 3.289129 1 749 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 98.83 8.051914 -3.115547 4.045288 1 750 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 98.83 10.399019 -3.4817982 3.933508 1 751 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 98.83 8.140805 -2.9342637 5.416832 1 752 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 98.83 10.498567 -3.299189 5.3006144 1 753 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 98.83 9.366625 -3.0265641 6.0521264 1 754 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 98.83 6.895422 -5.7847066 1.8272359 1 755 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 98.83 5.8611736 -6.53411 2.5275936 1 756 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 98.83 5.9422865 -8.029493 2.2327616 1 757 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 98.83 5.863583 -8.851882 3.1469154 1 758 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 98.83 4.472567 -6.001318 2.1569164 1 759 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 98.83 4.204901 -4.537361 2.529836 1 760 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 98.83 2.8338172 -4.1136575 2.0052466 1 761 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 98.83 4.2901406 -4.3545485 4.037007 1 762 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 98.83 6.1086226 -8.371706 0.9572093 1 763 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 98.83 6.214411 -9.775123 0.56799984 1 764 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 98.83 7.42785 -10.4212885 1.2279966 1 765 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 98.83 7.3463516 -11.549633 1.7233723 1 766 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 98.83 6.3124256 -9.90011 -0.95597535 1 767 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 98.83 6.3914204 -11.321122 -1.5118921 1 768 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 98.83 6.475511 -11.280586 -3.036537 1 769 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 98.44 5.1935034 -12.152788 -1.0654988 1 770 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 98.83 8.548967 -9.702125 1.2504854 1 771 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 98.83 9.760628 -10.20025 1.8936636 1 772 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 98.83 9.51575 -10.490496 3.3673563 1 773 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 98.83 9.963638 -11.515362 3.8812659 1 774 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 98.83 10.905463 -9.188293 1.7473613 1 775 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 98.83 11.437151 -9.090071 0.32362026 1 776 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 98.83 11.009722 -9.894138 -0.53716016 1 777 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 98.83 12.280023 -8.207822 0.052104194 1 778 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 98.83 8.813778 -9.595507 4.0415497 1 779 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 98.83 8.4890375 -9.785724 5.4512997 1 780 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 98.83 7.66856 -11.053062 5.662159 1 781 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 98.83 7.956985 -11.85338 6.5583534 1 782 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 98.83 7.7068214 -8.591307 6.0039134 1 783 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 98.44 8.467175 -7.3411665 6.427698 1 784 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 98.83 7.5693064 -6.5067205 7.3307467 1 785 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 98.44 9.745252 -7.7043715 7.1627545 1 786 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 98.83 6.639442 -11.207663 4.8382463 1 787 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 98.83 5.7527447 -12.355697 4.96088 1 788 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 98.83 6.483864 -13.67601 4.7200336 1 789 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 98.83 6.214252 -14.669686 5.391813 1 790 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 98.83 4.5742207 -12.217605 3.995685 1 791 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 98.83 3.4817555 -11.24233 4.452175 1 792 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 98.83 2.619077 -10.812471 3.2840552 1 793 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 98.83 2.6394706 -11.865234 5.551722 1 794 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 98.83 7.416012 -13.670315 3.7757633 1 795 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 98.83 8.160776 -14.877601 3.4567804 1 796 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 98.83 9.305837 -15.13362 4.438181 1 797 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 98.83 9.71782 -16.277988 4.620735 1 798 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 98.44 8.686766 -14.81253 2.011197 1 799 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 98.44 7.569873 -14.954241 0.9895895 1 800 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 98.44 8.073786 -14.901005 -0.4477315 1 801 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 98.83 6.9796224 -15.179458 -1.3768587 1 802 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 98.83 7.0762157 -15.15756 -2.7092087 1 803 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 98.44 8.2454815 -14.857479 -3.2697868 1 804 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 98.05 6.024628 -15.42338 -3.4652958 1 805 +ATOM N N . SER C0 3 18 . 18 SER C0 N 98.44 9.808958 -14.082042 5.0445724 1 806 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 98.83 10.863779 -14.205877 6.0541143 1 807 +ATOM C C . SER C0 3 18 . 18 SER C0 C 98.83 10.285395 -14.707685 7.3682175 1 808 +ATOM O O . SER C0 3 18 . 18 SER C0 O 98.44 10.845389 -15.6011715 8.007099 1 809 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 98.44 11.547428 -12.861919 6.2900906 1 810 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 98.05 11.898634 -12.24731 5.0845575 1 811 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 98.83 9.190981 -14.122484 7.76359 1 812 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 98.83 8.520231 -14.507563 8.994659 1 813 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 98.83 8.64747 -13.50011 10.121596 1 814 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 98.44 8.054203 -13.68538 11.188654 1 815 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 98.44 9.417118 -12.432587 9.938358 1 816 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 98.83 9.544598 -11.411944 10.974719 1 817 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 98.83 8.310893 -10.519251 10.985649 1 818 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 98.44 7.576069 -10.46644 9.99229 1 819 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 98.83 10.801754 -10.578596 10.75369 1 820 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 98.44 11.256909 -9.864876 12.008769 1 821 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 98.05 10.736288 -10.175274 13.110589 1 822 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 97.66 12.144524 -8.993372 11.918322 1 823 +ATOM N N . MET C0 3 21 . 21 MET C0 N 98.83 8.088846 -9.846397 12.083328 1 824 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 98.83 6.9442034 -8.955957 12.272894 1 825 +ATOM C C . MET C0 3 21 . 21 MET C0 C 98.83 5.6113825 -9.688155 12.146486 1 826 +ATOM O O . MET C0 3 21 . 21 MET C0 O 98.83 4.646434 -9.143913 11.608307 1 827 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 98.83 6.997357 -7.782363 11.284321 1 828 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 98.83 8.324963 -7.0493255 11.271023 1 829 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 98.83 8.178101 -5.322008 10.757856 1 830 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 98.83 7.512661 -4.588127 12.25057 1 831 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 98.83 5.5509267 -10.922344 12.666607 1 832 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 98.83 4.3025017 -11.690716 12.647779 1 833 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 98.83 3.2552423 -11.038424 13.544524 1 834 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 98.44 2.0687075 -11.32254 13.422098 1 835 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 98.83 4.550207 -13.1357975 13.100817 1 836 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 98.44 5.3745413 -13.95351 12.129746 1 837 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 98.44 5.3904333 -15.421165 12.560302 1 838 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 98.05 6.469261 -16.217566 11.843899 1 839 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 97.66 6.146371 -16.434258 10.392115 1 840 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 98.83 3.7254186 -10.176491 14.448685 1 841 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 98.83 2.8129637 -9.416063 15.293394 1 842 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 98.83 2.1029944 -8.3391905 14.482628 1 843 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 98.83 1.0313971 -7.879058 14.858061 1 844 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 98.83 3.5725093 -8.751336 16.449116 1 845 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 98.83 4.105654 -9.747533 17.457283 1 846 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 98.83 3.3038263 -10.56485 17.964352 1 847 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 98.44 5.316253 -9.71756 17.74355 1 848 +ATOM N N . SER C0 3 24 . 24 SER C0 N 98.83 2.7364292 -7.947898 13.379032 1 849 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 98.83 2.2458773 -6.8399324 12.5617 1 850 +ATOM C C . SER C0 3 24 . 24 SER C0 C 98.83 1.5390087 -7.26105 11.273839 1 851 +ATOM O O . SER C0 3 24 . 24 SER C0 O 98.83 0.5790789 -6.607306 10.85774 1 852 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 98.83 3.4037871 -5.9039774 12.196266 1 853 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 98.83 4.122562 -5.496339 13.355888 1 854 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 98.83 2.0102766 -8.336386 10.6465435 1 855 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 98.83 1.4709768 -8.773804 9.36565 1 856 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 98.83 1.5827515 -10.2902155 9.215862 1 857 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 98.83 2.5591667 -10.895456 9.672384 1 858 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 98.83 2.182309 -8.056698 8.193471 1 859 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 98.83 1.5014889 -8.35644 6.8583746 1 860 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 98.44 3.660644 -8.439434 8.142567 1 861 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 98.44 2.0522072 -7.5288925 5.689956 1 862 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 98.83 0.60255265 -10.905594 8.586861 1 863 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 98.83 0.58247674 -12.367031 8.413697 1 864 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 98.83 -0.24929065 -12.760817 7.2023554 1 865 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 98.83 -1.0624806 -11.978869 6.696848 1 866 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 98.83 -0.012739049 -13.048958 9.649094 1 867 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 98.83 -1.3426766 -12.474098 10.055815 1 868 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 98.83 -2.5646896 -12.762111 9.544587 1 869 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 98.83 -1.570591 -11.461938 11.043411 1 870 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 98.44 -3.5387268 -12.007374 10.155615 1 871 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 98.83 -2.9450111 -11.194355 11.08141 1 872 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 98.83 -0.728572 -10.760841 11.91008 1 873 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 98.83 -3.515574 -10.273596 11.936455 1 874 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 98.83 -1.2872155 -9.840075 12.765845 1 875 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 98.83 -2.6675167 -9.593977 12.780439 1 876 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 98.83 -0.038193632 -14.004999 6.7369623 1 877 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 98.83 -0.8393036 -14.54016 5.6506166 1 878 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 98.83 -2.222353 -14.919901 6.1728487 1 879 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 98.83 -2.3351278 -15.582146 7.2118106 1 880 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 98.83 -0.18522209 -15.788544 5.053251 1 881 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 98.83 1.0805211 -15.573052 4.2818103 1 882 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 98.83 2.322991 -16.028397 4.606825 1 883 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 98.44 1.2277824 -14.877743 3.032481 1 884 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 98.83 3.2363398 -15.65444 3.6508446 1 885 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 98.83 2.5945375 -14.947046 2.6715593 1 886 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 98.83 0.33316588 -14.197051 2.1849742 1 887 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 98.83 3.0872881 -14.369562 1.4975461 1 888 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 98.83 0.83398485 -13.626091 1.0207412 1 889 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 98.83 2.1952784 -13.705296 0.69299155 1 890 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 98.83 -3.2519102 -14.53489 5.4271812 1 891 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 98.83 -4.6158695 -14.949413 5.737967 1 892 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 98.83 -4.9230328 -16.180565 4.891102 1 893 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 98.83 -5.518658 -17.142185 5.3602877 1 894 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 98.83 -5.634272 -13.828313 5.4315114 1 895 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 98.83 -7.05836 -14.374619 5.5042195 1 896 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 98.44 -5.454899 -12.681263 6.4219036 1 897 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 98.83 -4.463238 -16.132257 3.6402488 1 898 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 98.83 -4.570574 -17.249804 2.7062988 1 899 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 98.83 -3.3142576 -17.21565 1.8472047 1 900 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 98.83 -3.2581522 -16.490816 0.85149384 1 901 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 98.83 -5.8304453 -17.108093 1.8441602 1 902 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 98.83 -6.0784807 -18.318838 0.95610917 1 903 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 98.83 -5.1132765 -19.04501 0.6359074 1 904 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 98.83 -7.247742 -18.546543 0.5604069 1 905 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 98.44 -2.3174386 -17.996853 2.254549 1 906 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 98.83 -1.0125872 -17.981651 1.6197484 1 907 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 98.83 -1.0585907 -18.320107 0.13555211 1 908 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 98.83 -0.4217718 -17.659065 -0.6815815 1 909 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 98.83 -0.069600195 -18.935467 2.3516076 1 910 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 98.44 1.37187 -18.862587 1.9150822 1 911 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 98.44 2.2167645 -19.77794 2.787459 1 912 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 97.66 3.6792016 -19.756504 2.3671799 1 913 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 97.27 4.4877806 -20.643276 3.2259083 1 914 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 98.83 -1.8154935 -19.34164 -0.20639616 1 915 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 98.83 -1.9252727 -19.782745 -1.5882428 1 916 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 98.83 -2.5698953 -18.726925 -2.483233 1 917 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 98.44 -2.2575495 -18.64165 -3.6658263 1 918 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 98.83 -2.714293 -21.092146 -1.6789634 1 919 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 98.44 -2.033813 -22.235687 -0.96100014 1 920 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 98.44 -0.8325373 -22.483511 -1.2214323 1 921 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 98.05 -2.6917286 -22.882942 -0.11905797 1 922 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 98.83 -3.4656327 -17.937706 -1.9151859 1 923 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 98.83 -4.1500697 -16.902233 -2.6635423 1 924 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 98.83 -3.418061 -15.558218 -2.596004 1 925 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 98.83 -3.7531657 -14.620722 -3.3308272 1 926 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 98.44 -5.587739 -16.743153 -2.1656127 1 927 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 98.44 -6.483057 -15.975477 -3.1309247 1 928 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 98.05 -7.961445 -16.22745 -2.8543816 1 929 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 97.66 -8.837085 -15.657316 -3.960553 1 930 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 96.09 -8.425146 -16.17559 -5.2992916 1 931 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 98.83 -2.430031 -15.4534645 -1.7226665 1 932 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 98.83 -1.6716284 -14.219927 -1.5723431 1 933 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 98.83 -2.3682294 -13.17697 -0.7218411 1 934 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 98.83 -2.0672877 -11.986637 -0.829926 1 935 +ATOM N N . THR C0 3 34 . 34 THR C0 N 98.83 -3.2858143 -13.617581 0.11626766 1 936 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 98.83 -4.049123 -12.70363 0.95797354 1 937 +ATOM C C . THR C0 3 34 . 34 THR C0 C 98.83 -3.3570943 -12.526175 2.3035178 1 938 +ATOM O O . THR C0 3 34 . 34 THR C0 O 98.83 -3.0254803 -13.505268 2.9705038 1 939 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 98.83 -5.4830656 -13.215956 1.1810598 1 940 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 98.83 -6.082767 -13.50214 -0.08441955 1 941 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 98.83 -6.3144903 -12.170986 1.91033 1 942 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 98.83 -3.115646 -11.270533 2.6846662 1 943 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 98.83 -2.437754 -10.969342 3.9436183 1 944 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 98.83 -3.174841 -9.889196 4.718135 1 945 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 98.83 -4.020089 -9.183572 4.179201 1 946 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 98.83 -0.98523563 -10.544947 3.6919162 1 947 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 98.83 -0.8450382 -9.313656 2.820886 1 948 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 98.83 -0.9441772 -9.404951 1.4382355 1 949 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 98.83 -0.60652685 -8.067953 3.3878489 1 950 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 98.83 -0.81091833 -8.265135 0.64235735 1 951 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 98.83 -0.4664752 -6.935278 2.5996888 1 952 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 98.83 -0.57219744 -7.0351696 1.2253199 1 953 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 98.83 -2.8585038 -9.789108 6.004825 1 954 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 98.83 -3.5697525 -8.853545 6.8698716 1 955 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 98.83 -2.6521242 -8.192721 7.89261 1 956 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 98.83 -1.7038097 -8.804314 8.385438 1 957 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 98.83 -4.691107 -9.5864725 7.5921764 1 958 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 98.83 -5.573185 -8.709819 8.464775 1 959 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 98.83 -6.7812624 -9.450313 9.011442 1 960 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 98.83 -7.923066 -9.212753 8.615063 1 961 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 98.83 -6.5230427 -10.377679 9.921636 1 962 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 98.83 -2.9212427 -6.9207954 8.187353 1 963 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 98.83 -2.172623 -6.1716313 9.188455 1 964 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 98.83 -2.8546987 -6.2663755 10.5492 1 965 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 98.83 -4.0764933 -6.3813286 10.627031 1 966 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 98.83 -2.0643857 -4.6899815 8.804243 1 967 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 98.83 -1.2631836 -4.427633 7.5606737 1 968 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 98.83 -1.8968358 -4.1240807 6.3640985 1 969 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 98.83 0.12223299 -4.4783163 7.5960016 1 970 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 98.83 -1.1622403 -3.8795145 5.2086234 1 971 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 98.83 0.8664678 -4.231782 6.4471884 1 972 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 98.83 0.22653396 -3.9330761 5.253739 1 973 +ATOM N N . SER C0 3 38 . 38 SER C0 N 98.83 -2.0639486 -6.1978846 11.605816 1 974 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 98.83 -2.5991395 -6.1723795 12.966394 1 975 +ATOM C C . SER C0 3 38 . 38 SER C0 C 98.83 -3.0604386 -4.75272 13.301621 1 976 +ATOM O O . SER C0 3 38 . 38 SER C0 O 98.83 -2.3953798 -3.7816803 12.937841 1 977 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 98.83 -1.5336144 -6.610442 13.963641 1 978 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 98.44 -1.8729596 -6.218767 15.27676 1 979 +ATOM N N . SER C0 3 39 . 39 SER C0 N 98.83 -4.160502 -4.628837 14.003997 1 980 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 98.83 -4.649524 -3.3168626 14.429234 1 981 +ATOM C C . SER C0 3 39 . 39 SER C0 C 98.83 -3.6508996 -2.6434941 15.3668785 1 982 +ATOM O O . SER C0 3 39 . 39 SER C0 O 98.83 -3.3318462 -1.4653498 15.202891 1 983 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 98.83 -5.9992704 -3.45162 15.138136 1 984 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 98.44 -7.0330906 -3.7733312 14.214294 1 985 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 98.83 -3.1386914 -3.4033833 16.331167 1 986 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 98.83 -2.262692 -2.8580785 17.366184 1 987 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 98.83 -0.80763483 -2.680853 16.945934 1 988 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 98.83 -0.110143825 -1.8430443 17.520441 1 989 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 98.83 -2.3283603 -3.7280297 18.624096 1 990 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 98.83 -3.6732326 -3.6774325 19.3364 1 991 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 98.83 -3.6250238 -4.423987 20.656717 1 992 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 98.44 -4.9533625 -4.3026657 21.39368 1 993 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 98.05 -4.9280634 -4.9999313 22.710144 1 994 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 98.83 -0.33640587 -3.4468627 15.984932 1 995 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 98.83 1.0838028 -3.4174898 15.652754 1 996 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 98.83 1.4243255 -2.97445 14.227722 1 997 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 98.83 2.5667067 -3.0883505 13.804443 1 998 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 98.44 1.7011424 -4.797592 15.924067 1 999 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 98.83 1.3795326 -5.326364 17.289349 1 1000 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 98.83 1.9624653 -4.8211336 18.428745 1 1001 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 98.83 0.5268687 -6.288169 17.7108 1 1002 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 98.44 1.4697843 -5.4561777 19.492935 1 1003 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 98.83 0.5899688 -6.359001 19.067575 1 1004 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 98.83 0.44230732 -2.4558752 13.5041275 1 1005 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 98.83 0.6746551 -2.0138512 12.132463 1 1006 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 98.83 1.5919816 -0.80132854 12.039965 1 1007 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 98.83 2.3316436 -0.6538901 11.066738 1 1008 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 98.83 -0.65220666 -1.7202349 11.431839 1 1009 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 98.83 -1.4971173 -0.6561905 12.092302 1 1010 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 98.83 -2.8290439 -0.52856565 11.365099 1 1011 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 98.83 -3.7181387 0.566911 11.9460335 1 1012 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 98.44 -4.2065487 0.22779246 13.280123 1 1013 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 98.83 1.5684199 0.06240464 13.036673 1 1014 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 98.83 2.411884 1.2482166 13.030914 1 1015 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 98.83 3.9008608 0.9110758 13.110399 1 1016 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 98.83 4.7228503 1.6025708 12.501494 1 1017 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 98.83 2.0320306 2.1938696 14.180086 1 1018 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 98.83 0.6135867 2.7661748 14.093981 1 1019 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 98.44 0.39871377 3.6805658 12.892138 1 1020 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 98.44 -0.7730323 4.0224237 12.61358 1 1021 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 98.83 1.397916 4.0449305 12.226548 1 1022 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 98.83 4.2360215 -0.13918656 13.843788 1 1023 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 98.83 5.6291723 -0.5708112 13.951298 1 1024 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 98.83 6.1761913 -0.9610405 12.573317 1 1025 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 98.83 7.290675 -0.59275913 12.201508 1 1026 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 98.83 5.750829 -1.7440338 14.914583 1 1027 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 98.83 5.371565 -1.690949 11.82243 1 1028 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 98.83 5.765583 -2.1003957 10.480212 1 1029 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 98.83 5.894333 -0.8991232 9.550113 1 1030 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 98.83 6.848425 -0.7971147 8.788403 1 1031 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 98.83 4.7522726 -3.1062493 9.91858 1 1032 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 98.44 5.1182685 -3.7822337 8.591923 1 1033 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 98.44 4.4971943 -5.170014 8.524588 1 1034 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 98.44 4.699619 -2.9470096 7.393462 1 1035 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 98.83 4.929875 0.0077997535 9.635863 1 1036 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 98.83 4.9446173 1.201966 8.804508 1 1037 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 98.83 6.1845584 2.0467415 9.095499 1 1038 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 98.83 6.8223243 2.5658941 8.179356 1 1039 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 98.83 3.6804132 2.026332 9.034042 1 1040 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 98.83 6.5214725 2.1652594 10.356341 1 1041 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 98.83 7.6993484 2.9326465 10.75768 1 1042 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 98.83 8.977052 2.3093066 10.191543 1 1043 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 98.83 9.850108 3.020063 9.69815 1 1044 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 98.83 7.777022 3.0232525 12.289055 1 1045 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 98.44 8.819532 3.9939876 12.763537 1 1046 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 98.44 9.302517 3.9934444 14.064531 1 1047 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 98.83 9.47373 4.9915075 12.131832 1 1048 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 98.83 10.1998825 4.955819 14.199562 1 1049 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 98.44 10.335705 5.5739136 13.039049 1 1050 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 98.83 9.072262 0.99192864 10.23208 1 1051 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 98.83 10.2272 0.3112622 9.672424 1 1052 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 98.83 10.333759 0.5899854 8.175748 1 1053 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 98.83 11.425093 0.78204703 7.646618 1 1054 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 98.83 10.14399 -1.1973836 9.913262 1 1055 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 98.83 11.218021 -1.9749212 9.163596 1 1056 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 98.44 11.083451 -3.4566684 9.345247 1 1057 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 98.44 11.865665 -3.9590902 10.459671 1 1058 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 98.83 11.886185 -5.228676 10.840517 1 1059 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 98.05 12.641693 -5.586616 11.866647 1 1060 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 98.44 11.182436 -6.1317167 10.190724 1 1061 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 98.83 9.193495 0.60674095 7.502837 1 1062 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 98.83 9.166231 0.9173491 6.0767775 1 1063 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 98.83 9.762976 2.3093774 5.847666 1 1064 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 98.83 10.569253 2.496664 4.935935 1 1065 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 98.83 7.734666 0.84969676 5.542145 1 1066 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 98.83 7.538355 1.3557715 4.138477 1 1067 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 98.83 6.6395636 2.2976604 3.7243404 1 1068 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 98.83 8.2493305 0.95664 2.9602509 1 1069 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 98.83 6.7372046 2.501584 2.376889 1 1070 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 98.83 7.721792 1.6894524 1.8721836 1 1071 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 98.83 9.282766 0.048734147 2.7105324 1 1072 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 98.83 8.195187 1.5452935 0.5615139 1 1073 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 98.83 9.751939 -0.09948486 1.4041883 1 1074 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 98.83 9.200076 0.65087205 0.35432005 1 1075 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 98.83 9.37491 3.267561 6.667628 1 1076 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 98.83 9.895898 4.6207404 6.5493135 1 1077 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 98.83 11.394517 4.693563 6.775379 1 1078 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 98.83 12.1028385 5.4001455 6.0601883 1 1079 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 98.83 11.882267 3.9763074 7.7754745 1 1080 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 98.83 13.310728 3.9463027 8.081413 1 1081 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 98.83 14.084734 3.4109983 6.8800535 1 1082 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 98.83 15.092022 3.981141 6.472123 1 1083 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 98.83 13.592489 3.0642133 9.317449 1 1084 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 98.83 12.92165 3.6568024 10.556568 1 1085 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 98.44 15.102748 2.9389129 9.532152 1 1086 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 98.44 12.935287 2.7229662 11.76049 1 1087 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 98.83 13.587696 2.3275723 6.317951 1 1088 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 98.83 14.231768 1.7006369 5.1726294 1 1089 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 98.83 14.303864 2.6346135 3.9612613 1 1090 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 98.83 15.326502 2.6986144 3.2830038 1 1091 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 98.83 13.496219 0.41974086 4.794131 1 1092 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 98.83 14.118671 -0.30467474 3.6110575 1 1093 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 98.83 13.748489 -1.7737359 3.5778387 1 1094 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 98.44 13.316212 -2.34532 4.585559 1 1095 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 98.05 13.917183 -2.3982635 2.4248261 1 1096 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 98.83 13.21472 3.3312423 3.6926963 1 1097 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 98.83 13.165546 4.2554407 2.5582795 1 1098 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 98.83 13.958865 5.5520244 2.8143754 1 1099 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 98.44 14.235035 6.301305 1.868156 1 1100 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 98.44 11.722687 4.599556 2.2192469 1 1101 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 98.44 10.938736 3.4731894 1.5407772 1 1102 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 98.44 11.398135 3.2276354 0.101216346 1 1103 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 98.83 11.162828 4.415677 -0.8394114 1 1104 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 98.83 9.831579 4.3446636 -1.443476 1 1105 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 98.83 14.321837 5.799965 4.044739 1 1106 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 98.83 15.048399 7.0197053 4.393441 1 1107 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 98.83 14.199298 8.272156 4.275688 1 1108 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 98.83 14.715304 9.3314 3.9212785 1 1109 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 98.83 12.9126 8.135742 4.5576844 1 1110 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 98.83 11.995806 9.271939 4.4998507 1 1111 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 98.83 12.378974 10.304033 5.5496936 1 1112 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 98.44 12.903501 9.948636 6.604817 1 1113 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 98.83 10.546266 8.815922 4.7375317 1 1114 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 98.83 10.039898 7.889464 3.644286 1 1115 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 98.44 9.084365 7.133053 3.8463874 1 1116 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 98.44 10.662762 7.9436007 2.4669998 1 1117 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 98.83 12.133585 11.585235 5.2347994 1 1118 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 98.83 12.486296 12.633678 6.207984 1 1119 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 98.83 11.5061455 12.669075 7.3722615 1 1120 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 98.83 11.889513 12.938604 8.505894 1 1121 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 98.83 12.616648 13.999316 5.515992 1 1122 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 98.05 11.370245 14.84239 5.474254 1 1123 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 98.05 11.728511 16.271317 4.940649 1 1124 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 97.66 13.023567 16.77599 5.4232764 1 1125 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 98.05 13.19096 17.698713 6.3892665 1 1126 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 96.88 14.3946705 18.066166 6.7798634 1 1127 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 96.88 12.131041 18.235106 6.9749327 1 1128 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 98.83 10.245659 12.392783 7.0901823 1 1129 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 98.83 9.222476 12.33758 8.138685 1 1130 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 98.83 8.915472 10.896961 8.514823 1 1131 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 98.83 9.26409 9.961299 7.7924905 1 1132 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 98.83 7.9426813 13.043017 7.689947 1 1133 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 98.44 8.100266 14.544847 7.4900627 1 1134 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 98.05 6.732744 15.248249 7.4289494 1 1135 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 98.05 6.132515 15.384394 8.810104 1 1136 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 97.66 4.9663544 16.31946 8.831789 1 1137 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 98.83 8.24575 10.711946 9.6289215 1 1138 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 98.83 7.8951383 9.386734 10.115271 1 1139 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 98.83 6.7754536 8.77287 9.280146 1 1140 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 98.83 5.797897 9.458449 8.950343 1 1141 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 98.83 7.4715266 9.450111 11.582796 1 1142 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 98.83 7.2612677 8.087742 12.213491 1 1143 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 98.44 6.7650175 8.221039 13.655775 1 1144 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 98.05 6.418663 6.8614306 14.241854 1 1145 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 97.66 5.8416233 6.9654465 15.608924 1 1146 +ATOM N N . MET C0 3 59 . 59 MET C0 N 98.83 6.9351797 7.494742 8.936494 1 1147 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 98.83 5.922794 6.7815795 8.163832 1 1148 +ATOM C C . MET C0 3 59 . 59 MET C0 C 98.83 4.8551474 6.2378283 9.099445 1 1149 +ATOM O O . MET C0 3 59 . 59 MET C0 O 98.83 5.165365 5.7141724 10.165066 1 1150 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 98.83 6.568201 5.636874 7.3706036 1 1151 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 98.83 5.5784116 4.7813196 6.565651 1 1152 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 98.83 4.6416206 5.686872 5.311476 1 1153 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 98.83 5.9674826 6.2381144 4.2214394 1 1154 +ATOM N N . THR C0 3 60 . 60 THR C0 N 98.83 3.5954237 6.3821087 8.700451 1 1155 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 98.83 2.466912 5.880082 9.471455 1 1156 +ATOM C C . THR C0 3 60 . 60 THR C0 C 98.83 1.7320665 4.836585 8.639719 1 1157 +ATOM O O . THR C0 3 60 . 60 THR C0 O 98.83 1.8984859 4.7687716 7.4216566 1 1158 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 98.83 1.472233 7.000081 9.830919 1 1159 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 98.83 0.92238426 7.526677 8.618142 1 1160 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 98.83 2.163212 8.116285 10.608791 1 1161 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 98.83 0.90449125 4.0284905 9.290609 1 1162 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 98.83 0.1235132 3.0479183 8.55125 1 1163 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 98.83 -0.8000068 3.7373946 7.5469007 1 1164 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 98.83 -0.9911306 3.2668967 6.425559 1 1165 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 98.83 -0.7073218 2.1503634 9.479595 1 1166 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 98.83 -1.6196051 1.2391737 8.68769 1 1167 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 98.83 -2.9752047 1.5365984 8.534236 1 1168 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 98.83 -1.1183717 0.11354786 8.04843 1 1169 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 98.83 -3.8062224 0.72791874 7.764494 1 1170 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 98.83 -1.9409382 -0.7006941 7.27633 1 1171 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 98.83 -3.276217 -0.3849176 7.1397533 1 1172 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 98.83 -4.0902357 -1.1822989 6.3760552 1 1173 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 98.83 -1.3577709 4.873092 7.948642 1 1174 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 98.83 -2.267061 5.6151667 7.090773 1 1175 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 98.83 -1.607931 5.967992 5.754321 1 1176 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 98.83 -2.2059531 5.787984 4.6911364 1 1177 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 98.83 -2.7437632 6.879679 7.787995 1 1178 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 98.44 -3.917439 7.5552945 7.080144 1 1179 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 98.44 -4.483232 8.719467 7.8615556 1 1180 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 98.44 -3.9440055 9.82792 7.8207684 1 1181 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 98.44 -5.561879 8.4746895 8.59813 1 1182 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 98.83 -0.37232974 6.4851418 5.80927 1 1183 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 98.83 0.35262752 6.832698 4.594859 1 1184 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 98.83 0.77281004 5.596511 3.8076115 1 1185 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 98.83 0.7749375 5.6140814 2.5743496 1 1186 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 98.83 1.5650357 7.710759 4.919051 1 1187 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 98.83 1.1952549 9.15168 5.271901 1 1188 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 98.83 2.4272223 10.053284 5.384407 1 1189 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 98.44 3.2784445 9.70067 6.6055984 1 1190 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 98.83 4.432444 10.600365 6.721343 1 1191 +ATOM N N . MET C0 3 64 . 64 MET C0 N 98.83 1.1398942 4.536375 4.501402 1 1192 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 98.83 1.5206269 3.3010826 3.8299994 1 1193 +ATOM C C . MET C0 3 64 . 64 MET C0 C 98.83 0.30928352 2.7240646 3.091384 1 1194 +ATOM O O . MET C0 3 64 . 64 MET C0 O 98.83 0.4284354 2.2536154 1.9631308 1 1195 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 98.83 2.0710995 2.275181 4.8196793 1 1196 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 98.44 2.7390623 1.0859001 4.12277 1 1197 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 98.83 3.5575924 -0.05366651 5.2682586 1 1198 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 98.44 2.139629 -0.76475424 6.090052 1 1199 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 98.83 -0.84808993 2.7972665 3.7359052 1 1200 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 98.83 -2.0883906 2.326932 3.1215887 1 1201 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 98.83 -2.4425864 3.172134 1.9077597 1 1202 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 98.83 -2.9509537 2.6537476 0.911116 1 1203 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 98.83 -3.2283204 2.3546896 4.1319733 1 1204 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 98.83 -2.1851792 4.484146 1.9847302 1 1205 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 98.83 -2.4041324 5.3797555 0.85825264 1 1206 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 98.83 -1.5776056 4.9055705 -0.35219216 1 1207 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 98.83 -2.110512 4.8464503 -1.4767275 1 1208 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 98.83 -2.0402136 6.82574 1.2544045 1 1209 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 98.83 -1.9965448 7.8566957 0.10560757 1 1210 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 98.83 -3.384161 8.370037 -0.29659998 1 1211 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 98.83 -3.8469744 7.628899 -1.4634615 1 1212 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 98.83 -3.9408455 8.115263 -2.6772184 1 1213 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 98.83 -4.3274775 7.3321176 -3.665717 1 1214 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 98.83 -3.6223004 9.394592 -2.9253507 1 1215 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 98.83 -0.33996752 4.5678587 -0.11417006 1 1216 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 98.83 0.5353506 4.0699987 -1.171987 1 1217 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 98.83 0.0650429 2.696862 -1.6545411 1 1218 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 98.83 0.055414885 2.4155326 -2.8580303 1 1219 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 98.83 1.9735979 3.9855182 -0.670161 1 1220 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 98.83 -0.3311212 1.8662722 -0.6935715 1 1221 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 98.83 -0.8198847 0.52300453 -0.98664135 1 1222 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 98.83 -2.0456233 0.56838185 -1.8858546 1 1223 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 98.83 -2.1787095 -0.22358477 -2.8182917 1 1224 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 98.83 -1.1553817 -0.17152709 0.33267972 1 1225 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 98.83 -0.7447873 -1.6155534 0.60314465 1 1226 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 98.44 -0.70363045 -1.8179891 2.1155925 1 1227 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 98.44 0.5692967 -1.9714384 -0.03721621 1 1228 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 98.83 -2.9322252 1.5348045 -1.6133084 1 1229 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 98.83 -4.1507654 1.6816506 -2.412405 1 1230 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 98.83 -3.8505929 1.9471443 -3.8817394 1 1231 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 98.83 -4.5885735 1.5048087 -4.762221 1 1232 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 98.83 -5.0266247 2.8072896 -1.8638132 1 1233 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 98.83 -6.0884037 2.3573353 -0.894096 1 1234 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 98.83 -7.128403 3.448328 -0.62816155 1 1235 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 98.44 -6.5967655 4.7543125 -0.26461697 1 1236 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 98.83 -6.1979675 5.100956 0.95580804 1 1237 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 98.83 -6.244357 4.2375355 1.9517884 1 1238 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 98.83 -5.747835 6.331582 1.1738572 1 1239 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 98.83 -2.7616165 2.66713 -4.142019 1 1240 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 98.83 -2.3851933 2.9767897 -5.518079 1 1241 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 98.83 -2.0243838 1.7203276 -6.315096 1 1242 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 98.83 -2.113725 1.7175306 -7.545326 1 1243 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 98.83 -1.210665 3.9718647 -5.5503974 1 1244 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 98.83 -1.6361996 5.3783283 -5.147071 1 1245 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 98.83 -0.8030245 6.2012334 -4.7520123 1 1246 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 98.83 -2.9249578 5.6613264 -5.2494125 1 1247 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 98.83 -1.6189128 0.6656679 -5.6189566 1 1248 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 98.83 -1.3154473 -0.5978777 -6.2794504 1 1249 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 98.83 -2.5709252 -1.233748 -6.8770237 1 1250 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 98.83 -2.4767604 -2.109989 -7.7373743 1 1251 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 98.83 -0.6556519 -1.5778533 -5.3123217 1 1252 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 98.83 0.7929487 -1.2980764 -5.014059 1 1253 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 98.83 1.2817166 -1.385976 -3.714997 1 1254 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 98.44 1.6982448 -0.9966847 -6.029868 1 1255 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 98.83 2.6198177 -1.1600282 -3.4339657 1 1256 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 98.83 3.0355322 -0.7618539 -5.7569637 1 1257 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 98.83 3.486561 -0.85369027 -4.4591227 1 1258 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 98.83 4.8071938 -0.6375563 -4.1802735 1 1259 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 98.83 -3.725326 -0.7878823 -6.421629 1 1260 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 98.83 -4.982609 -1.2846205 -6.9646096 1 1261 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 98.83 -5.1803102 -0.8336797 -8.399512 1 1262 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 98.44 -5.795562 -1.5365157 -9.204697 1 1263 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 98.83 -4.6333027 0.34663776 -8.715366 1 1264 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 98.83 -4.725163 0.88902533 -10.071788 1 1265 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 98.83 -3.7066739 0.23087488 -11.005339 1 1266 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 98.44 -3.9446254 0.1520671 -12.212549 1 1267 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 98.44 -4.499251 2.4011195 -10.0556345 1 1268 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 98.44 -5.3946004 3.163055 -9.089657 1 1269 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 98.44 -6.7112823 3.5501075 -9.727928 1 1270 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 98.05 -6.536896 4.5364456 -10.867651 1 1271 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 97.66 -7.8218756 5.1213055 -11.3103 1 1272 +ATOM N N . THR C0 3 74 . 74 THR C0 N 98.44 -2.5798197 -0.21021828 -10.451331 1 1273 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 98.83 -1.5003984 -0.8041836 -11.244698 1 1274 +ATOM C C . THR C0 3 74 . 74 THR C0 C 98.83 -1.4232043 -2.3239412 -11.114767 1 1275 +ATOM O O . THR C0 3 74 . 74 THR C0 O 98.44 -0.65064394 -2.9657466 -11.826288 1 1276 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 98.83 -0.13983858 -0.19164397 -10.860321 1 1277 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 98.44 0.06739828 -0.3260626 -9.457129 1 1278 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 98.05 -0.10259091 1.2951528 -11.227429 1 1279 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 98.83 -2.2220092 -2.8968174 -10.219768 1 1280 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 98.83 -2.400494 -4.3328857 -10.149923 1 1281 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 98.83 -1.4501121 -5.1664767 -9.304614 1 1282 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 98.44 -1.567233 -6.3962207 -9.296958 1 1283 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 98.83 -0.5119384 -4.5555468 -8.584686 1 1284 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 98.83 0.42392468 -5.3301415 -7.7664614 1 1285 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 98.83 -0.23900047 -5.858343 -6.499276 1 1286 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 98.83 0.045824468 -6.986861 -6.064081 1 1287 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 98.83 1.6586773 -4.489237 -7.394356 1 1288 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 98.44 2.527203 -4.091083 -8.599329 1 1289 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 98.83 2.1791997 -2.7127862 -9.1165085 1 1290 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 98.83 1.0011709 -2.2809083 -8.972376 1 1291 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 98.83 3.0661712 -2.0402043 -9.662111 1 1292 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 98.83 -1.0814137 -5.0635433 -5.896828 1 1293 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 98.83 -1.811779 -5.4146166 -4.680629 1 1294 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 98.83 -3.2229972 -4.849896 -4.7799816 1 1295 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 98.83 -3.4158967 -3.7487767 -5.291704 1 1296 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 98.83 -1.1306691 -4.8369355 -3.4135523 1 1297 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 98.83 -1.9423243 -5.175686 -2.1649606 1 1298 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 98.44 0.28752184 -5.3759565 -3.2756562 1 1299 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 98.83 -4.1968184 -5.586495 -4.303426 1 1300 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 98.83 -5.5814 -5.1204276 -4.2961435 1 1301 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 98.83 -6.154624 -5.203109 -2.8909292 1 1302 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 98.44 -5.7493386 -6.047168 -2.093199 1 1303 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 98.83 -6.4258633 -5.930792 -5.274888 1 1304 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 98.83 -6.0414963 -5.6955605 -6.721197 1 1305 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 98.05 -6.9672213 -6.4302444 -7.675016 1 1306 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 98.05 -6.550722 -6.163039 -9.1170435 1 1307 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 97.66 -7.440938 -6.891814 -10.073637 1 1308 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 98.83 -7.09196 -4.321189 -2.6062102 1 1309 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 98.83 -7.7572446 -4.305994 -1.3140413 1 1310 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 98.83 -8.797529 -5.4146795 -1.263074 1 1311 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 98.83 -9.502996 -5.66273 -2.2357407 1 1312 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 98.83 -8.42615 -2.9511456 -1.0795935 1 1313 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 98.83 -9.102252 -2.7978535 0.28233975 1 1314 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 98.83 -8.12014 -2.952808 1.4427105 1 1315 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 98.44 -8.795731 -2.636096 2.7800477 1 1316 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 98.44 -8.085336 -3.2651534 3.913076 1 1317 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 98.83 -8.86513 -6.118902 -0.120278075 1 1318 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 98.83 -9.874517 -7.1448746 0.110193625 1 1319 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 98.83 -10.904034 -6.5440483 1.0522202 1 1320 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 98.44 -10.554327 -5.78563 1.9567463 1 1321 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 98.83 -9.254347 -8.407881 0.7404747 1 1322 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 98.83 -10.347204 -9.396642 1.1283355 1 1323 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 98.83 -8.276113 -9.045684 -0.22993632 1 1324 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 98.44 -12.178112 -6.8596754 0.8316969 1 1325 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 98.83 -13.240634 -6.262814 1.6472487 1 1326 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 98.83 -13.2951565 -6.8752103 3.03906 1 1327 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 98.44 -14.307695 -7.429887 3.4640932 1 1328 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 98.44 -14.604734 -6.360197 0.9199767 1 1329 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 98.44 -14.68844 -5.3678827 -0.22086273 1 1330 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 98.05 -15.31019 -5.9991007 -1.4974731 1 1331 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 96.88 -14.629923 -7.3135786 -1.8677919 1 1332 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 97.27 -13.188954 -7.188219 -2.2530777 1 1333 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 98.83 -12.158691 -6.795788 3.7264323 1 1334 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 98.83 -12.018259 -7.258843 5.094261 1 1335 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 98.83 -11.057373 -6.299104 5.7784853 1 1336 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 98.44 -10.115026 -5.804805 5.1602945 1 1337 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 98.83 -11.477638 -8.697544 5.1179895 1 1338 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 98.44 -12.016249 -9.530111 6.2622895 1 1339 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 98.44 -11.956066 -11.037991 5.9187145 1 1340 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 98.05 -10.578857 -11.619206 6.14687 1 1341 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 97.66 -10.142692 -11.480884 7.569332 1 1342 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 98.83 -11.299625 -6.007868 7.041277 1 1343 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 98.83 -10.526472 -5.019005 7.7846346 1 1344 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 98.83 -9.023402 -5.2991896 7.747798 1 1345 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 98.44 -8.578747 -6.387234 8.130863 1 1346 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 98.83 -11.015781 -4.966137 9.227907 1 1347 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 98.83 -10.5019655 -3.795903 10.045873 1 1348 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 98.44 -11.191667 -3.779077 11.406429 1 1349 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 98.44 -10.546772 -2.786317 12.362751 1 1350 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 98.05 -11.153513 -2.8608174 13.705841 1 1351 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 98.83 -8.251989 -4.3276815 7.236509 1 1352 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 98.83 -6.795042 -4.396693 7.1806774 1 1353 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 98.83 -6.2630715 -5.5381665 6.3075647 1 1354 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 98.83 -5.117717 -5.963275 6.4723415 1 1355 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 98.83 -6.211274 -4.5088587 8.5947895 1 1356 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 98.44 -6.48097 -3.2918062 9.497793 1 1357 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 98.83 -6.3288474 -3.6834564 10.961499 1 1358 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 98.83 -5.51037 -2.1669264 9.149664 1 1359 +ATOM N N . THR C0 3 85 . 85 THR C0 N 98.83 -7.0674744 -6.0013275 5.378627 1 1360 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 98.83 -6.7097597 -7.147197 4.554523 1 1361 +ATOM C C . THR C0 3 85 . 85 THR C0 C 98.83 -6.464719 -6.7594824 3.0903585 1 1362 +ATOM O O . THR C0 3 85 . 85 THR C0 O 98.44 -7.279644 -6.0735946 2.4708338 1 1363 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 98.83 -7.795203 -8.236466 4.624716 1 1364 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 98.44 -8.014212 -8.599763 5.987055 1 1365 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 98.83 -7.378827 -9.473106 3.8518806 1 1366 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 98.83 -5.331543 -7.2173543 2.545527 1 1367 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 98.83 -4.9384537 -6.9406204 1.1764349 1 1368 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 98.83 -4.566271 -8.237934 0.47099465 1 1369 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 98.44 -4.511199 -9.294244 1.0933518 1 1370 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 98.83 -3.758281 -5.9648767 1.1383715 1 1371 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 98.83 -4.1144733 -4.5518017 1.5408785 1 1372 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 98.83 -4.2402782 -4.1961894 2.8839831 1 1373 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 98.83 -4.3297405 -3.566829 0.5867351 1 1374 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 98.83 -4.575695 -2.9012713 3.2598464 1 1375 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 98.83 -4.658735 -2.2687948 0.95114976 1 1376 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 98.83 -4.7781134 -1.9420719 2.2839942 1 1377 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 98.83 -5.108612 -0.65913486 2.6532881 1 1378 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 98.83 -4.3039217 -8.156585 -0.83423215 1 1379 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 98.83 -3.9945912 -9.353863 -1.6061 1 1380 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 98.83 -2.9797974 -9.087406 -2.7130609 1 1381 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 98.83 -3.1701503 -8.188768 -3.5322218 1 1382 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 98.83 -5.2774286 -9.932699 -2.1975532 1 1383 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 98.44 -5.0824914 -11.2225895 -2.9617107 1 1384 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 98.83 -6.3888245 -11.770453 -3.5053556 1 1385 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 98.83 -7.382927 -11.046179 -3.621688 1 1386 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 98.44 -6.4157853 -13.058397 -3.824483 1 1387 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 98.83 -1.8984629 -9.877445 -2.7355337 1 1388 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 98.83 -0.88277966 -9.783323 -3.7766442 1 1389 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 98.83 -1.4094188 -10.388856 -5.0776043 1 1390 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 98.83 -2.1906967 -11.34089 -5.046538 1 1391 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 98.83 0.3785618 -10.542638 -3.379066 1 1392 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 98.83 1.2080164 -9.877533 -2.3226848 1 1393 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 98.83 1.3662902 -10.474706 -1.0782535 1 1394 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 98.83 1.837491 -8.671606 -2.5774128 1 1395 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 98.83 2.138886 -9.869776 -0.09909824 1 1396 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 98.83 2.6122785 -8.063699 -1.5976598 1 1397 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 98.83 2.7616057 -8.663218 -0.3630703 1 1398 +ATOM N N . SER C0 3 89 . 89 SER C0 N 98.83 -0.9772981 -9.829939 -6.190092 1 1399 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 98.83 -1.3293037 -10.387966 -7.4925413 1 1400 +ATOM C C . SER C0 3 89 . 89 SER C0 C 98.83 -0.46475828 -11.614992 -7.753166 1 1401 +ATOM O O . SER C0 3 89 . 89 SER C0 O 98.44 0.5599404 -11.815711 -7.1009197 1 1402 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 98.83 -1.101742 -9.361571 -8.599545 1 1403 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 98.44 0.28950194 -9.137636 -8.789892 1 1404 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 98.44 -0.89543307 -12.442175 -8.701487 1 1405 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 98.44 -0.11418858 -13.609745 -9.069059 1 1406 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 98.44 1.2489413 -13.21773 -9.603346 1 1407 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 97.66 2.231725 -13.920441 -9.39699 1 1408 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 98.44 1.3120861 -12.088911 -10.284374 1 1409 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 98.44 2.5649302 -11.57584 -10.830245 1 1410 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 98.83 3.574741 -11.3231125 -9.713781 1 1411 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 98.44 4.738126 -11.716427 -9.816535 1 1412 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 98.05 2.3188567 -10.277615 -11.610256 1 1413 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 97.66 3.5754466 -9.561588 -12.082346 1 1414 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 97.66 3.2793882 -8.255556 -12.790033 1 1415 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 96.88 3.2790031 -8.230804 -14.041336 1 1416 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 96.48 3.0188904 -7.251906 -12.106667 1 1417 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 98.83 3.1251297 -10.646992 -8.667055 1 1418 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 98.83 3.9753683 -10.339611 -7.5229287 1 1419 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 98.83 4.4203124 -11.617516 -6.8126545 1 1420 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 98.05 5.5251956 -11.691173 -6.2838116 1 1421 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 98.44 3.2565136 -9.40107 -6.5325766 1 1422 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 98.05 3.994312 -9.3206215 -5.2004848 1 1423 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 98.44 3.1067 -8.016727 -7.150876 1 1424 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 98.44 3.559895 -12.623617 -6.807608 1 1425 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 98.44 3.8425775 -13.8987665 -6.1539965 1 1426 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 97.27 4.750759 -14.808811 -6.9841175 1 1427 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 92.58 5.169076 -15.8666935 -6.515954 1 1428 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 98.44 2.5382066 -14.639896 -5.8441544 1 1429 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 98.44 1.6585891 -14.034304 -4.756999 1 1430 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 98.05 0.2937742 -14.708792 -4.741816 1 1431 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 98.05 2.3275967 -14.152103 -3.3978906 1 1432 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 96.09 5.048416 -14.399007 -8.187934 1 1433 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 95.7 5.9087243 -15.186182 -9.057219 1 1434 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 95.31 5.2263107 -16.397474 -9.660343 1 1435 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 90.23 5.8588724 -17.4426 -9.827105 1 1436 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 95.31 3.9547226 -16.24418 -9.960953 1 1437 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 94.53 3.181968 -17.350605 -10.537236 1 1438 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 92.97 2.6718338 -17.018806 -11.938196 1 1439 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 87.89 1.5980251 -17.466505 -12.34804 1 1440 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 92.97 2.0143409 -17.69992 -9.631061 1 1441 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 92.97 2.425444 -18.625727 -8.497628 1 1442 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 93.36 1.2392557 -19.132904 -7.71793 1 1443 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 92.97 0.6542785 -18.106354 -6.8693085 1 1444 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 93.36 -0.66722727 -17.912416 -6.756406 1 1445 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 91.02 -1.1093334 -16.965294 -5.9479294 1 1446 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 90.62 -1.5065354 -18.646927 -7.446719 1 1447 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 92.97 3.4556246 -16.242992 -12.669962 1 1448 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 92.58 3.096954 -15.914858 -14.034803 1 1449 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 92.58 3.2214937 -17.154179 -14.911426 1 1450 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 87.5 4.1347256 -17.952038 -14.7579 1 1451 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 92.58 2.2803726 -17.266369 -15.8093195 1 1452 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 92.97 2.3127985 -18.41143 -16.711277 1 1453 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 92.97 1.4527628 -19.577152 -16.25605 1 1454 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 89.06 1.170738 -20.498209 -17.033775 1 1455 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 92.58 1.0453888 -19.542667 -14.98824 1 1456 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 92.97 0.20114501 -20.610033 -14.455486 1 1457 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 93.36 -1.1193769 -20.670273 -15.199361 1 1458 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 91.02 -1.6211934 -21.751781 -15.510733 1 1459 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 91.02 -0.048834763 -20.396183 -12.960836 1 1460 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 90.23 -0.74887323 -21.53809 -12.223011 1 1461 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 89.06 -0.99698323 -21.151226 -10.760677 1 1462 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 87.89 0.077903494 -22.821651 -12.297987 1 1463 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 88.28 -1.6675463 -19.493288 -15.497599 1 1464 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 89.84 -2.9223518 -19.404911 -16.237137 1 1465 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 91.02 -2.7734017 -19.941833 -17.661499 1 1466 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 87.11 -3.7214081 -20.47456 -18.238182 1 1467 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 86.33 -3.4154687 -17.962208 -16.273895 1 1468 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 94.14 -1.5468287 -19.790783 -18.204617 1 1469 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 93.36 -1.2628613 -20.261559 -19.555103 1 1470 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 92.97 -1.2517273 -21.788315 -19.637535 1 1471 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 89.45 -1.5413587 -22.364868 -20.69386 1 1472 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 92.19 0.08775774 -19.719528 -20.03758 1 1473 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 92.19 0.19583051 -18.198057 -20.024296 1 1474 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 91.02 1.6139421 -17.7299 -20.30193 1 1475 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 89.06 2.0090728 -16.67268 -19.802612 1 1476 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 89.06 2.3513389 -18.448477 -21.01593 1 1477 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 89.84 -0.87009895 -22.432526 -18.51622 1 1478 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 90.23 -0.7370628 -23.886328 -18.486607 1 1479 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 91.02 -2.0735407 -24.597195 -18.268848 1 1480 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 87.5 -2.1181293 -25.840645 -18.282387 1 1481 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 87.89 0.24079299 -24.297585 -17.379683 1 1482 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 87.11 1.6767548 -23.799759 -17.607319 1 1483 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 84.77 2.6608777 -24.499659 -16.661463 1 1484 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 82.03 2.448133 -24.128193 -15.26556 1 1485 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 79.69 2.9973311 -23.0617 -14.671555 1 1486 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 76.95 3.7890568 -22.251215 -15.357234 1 1487 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 77.34 2.7599711 -22.807905 -13.378006 1 1488 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 92.97 -3.1625133 -23.84 -18.092543 1 1489 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 92.97 -4.4663196 -24.43694 -17.785404 1 1490 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 92.97 -5.2923536 -24.790726 -19.005451 1 1491 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 89.84 -5.194352 -24.141886 -20.047733 1 1492 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 92.19 -5.27918 -23.505161 -16.866997 1 1493 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 92.19 -4.7738833 -23.482803 -15.444858 1 1494 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 91.8 -5.4802175 -22.416422 -14.623632 1 1495 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 91.02 -4.857358 -22.279613 -13.3139305 1 1496 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 91.02 -4.7048097 -21.118607 -12.689871 1 1497 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 88.67 -4.1372166 -21.06686 -11.500242 1 1498 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 88.67 -5.141953 -20.005854 -13.252796 1 1499 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 94.92 -6.14019 -25.826054 -18.87791 1 1500 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 94.92 -7.0671844 -26.287523 -19.915615 1 1501 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 94.14 -8.448238 -26.337437 -19.320274 1 1502 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 91.02 -8.599207 -26.602362 -18.1067 1 1503 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 94.14 -6.645077 -27.674051 -20.434574 1 1504 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 94.92 -5.361694 -27.671455 -21.220932 1 1505 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 93.75 -5.076843 -26.740417 -22.19751 1 1506 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 93.36 -4.3214726 -28.509394 -21.111746 1 1507 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 92.97 -3.9105315 -26.93893 -22.72429 1 1508 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 92.58 -3.3657112 -28.095749 -22.037838 1 1509 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 94.14 -9.413189 -26.072195 -20.166058 1 1510 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 94.53 -9.408162 -25.951519 -21.632488 1 1511 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 95.31 -8.930618 -24.579521 -22.116302 1 1512 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 93.36 -7.721789 -24.386702 -22.26819 1 1513 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 93.36 -10.870464 -26.157614 -22.043188 1 1514 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 92.97 -11.643397 -26.260204 -20.753418 1 1515 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 94.14 -10.737294 -25.933884 -19.62801 1 1516 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 92.19 -9.794573 -23.611609 -22.462696 1 1517 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 93.75 -9.40294 -22.319227 -23.05935 1 1518 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 94.53 -9.305679 -21.188114 -22.0305 1 1519 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 92.58 -9.15232 -21.455048 -20.842976 1 1520 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 92.19 -10.550844 -22.040903 -24.040688 1 1521 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 91.8 -11.756942 -22.716599 -23.43649 1 1522 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 93.75 -11.279971 -23.684454 -22.405033 1 1523 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 91.8 -9.375787 -19.937698 -22.515491 1 1524 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 92.19 -9.351265 -18.750517 -21.665474 1 1525 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 92.19 -10.267235 -18.905445 -20.462923 1 1526 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 89.06 -11.4771185 -18.99633 -20.579056 1 1527 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 90.23 -9.753753 -17.50201 -22.457687 1 1528 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 90.62 -8.595739 -16.842274 -23.174894 1 1529 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 88.28 -7.4349923 -17.519762 -23.453304 1 1530 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 87.5 -8.450452 -15.588549 -23.671047 1 1531 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 86.33 -6.590532 -16.72429 -24.087904 1 1532 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 87.11 -7.1902275 -15.514755 -24.2308 1 1533 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 87.11 -9.666172 -18.935574 -19.350948 1 1534 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_0_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_0_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..c49253f060e0b9c566118007d1c64268b37b9f05 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_0_postprocessed.cif @@ -0,0 +1,1869 @@ +data_8e3r-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 0 -25.997154 13.663979 15.476629 1 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 0 -26.809748 12.412619 15.270298 1 2 1 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 0 -26.532578 11.296783 14.390614 1 3 1 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 0 -28.12167 13.228876 14.98872 1 4 1 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 0 -27.098625 11.535185 16.649498 1 5 1 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 0 -26.640926 12.000691 17.78624 1 6 1 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 0 -25.407484 11.393726 18.433647 1 7 1 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 0 -25.25971 9.943256 18.186954 1 8 1 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 0 -24.081078 12.014959 18.020027 1 9 1 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 0 -23.284128 12.191711 19.179523 1 10 1 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 0 -23.47741 10.980208 17.075657 1 11 1 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 0 -23.97538 9.670292 17.6348 1 12 1 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 0 -24.111156 8.609823 16.625408 1 13 1 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 0 -24.816856 8.646227 15.458301 1 14 1 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 0 -24.780104 7.5385284 14.764379 1 15 1 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 0 -24.001534 6.692605 15.530827 1 16 1 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 0 -23.580708 5.367059 15.351581 1 17 1 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 0 -23.914585 4.627964 14.28691 1 18 1 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 0 -22.803518 4.8217964 16.323362 1 19 1 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 0 -22.472296 5.5677004 17.396393 1 20 1 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 0 -22.802067 6.8372726 17.674093 1 21 1 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 0 -23.575459 7.3416834 16.685793 1 22 1 +ATOM P P . DA A0 1 2 . 2 DA A0 P 0 -22.026018 13.044022 19.273445 1 23 1 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 0 -21.933804 13.818079 18.024849 1 24 1 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 0 -21.999315 13.722386 20.592634 1 25 1 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 0 -20.88705 11.933121 19.256489 1 26 1 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 0 -20.805614 10.993149 20.307503 1 27 1 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 0 -19.66019 10.041859 20.085835 1 28 1 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 0 -20.04197 9.041396 19.098087 1 29 1 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 0 -18.380816 10.690199 19.576992 1 30 1 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 0 -17.277584 10.185291 20.333982 1 31 1 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 0 -18.322998 10.284814 18.105476 1 32 1 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 0 -19.04786 8.944687 18.103527 1 33 1 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 0 -19.724335 8.592435 16.861504 1 34 1 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 0 -20.50721 9.400051 16.079027 1 35 1 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 0 -21.006998 8.804598 15.0212 1 36 1 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 0 -20.526102 7.5050707 15.115219 1 37 1 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 0 -20.695675 6.370647 14.3011055 1 38 1 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 0 -21.439377 6.3727746 13.18396 1 39 1 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 0 -20.08009 5.226506 14.67164 1 40 1 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 0 -19.344429 5.236413 15.786327 1 41 1 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 0 -19.105534 6.240373 16.634964 1 42 1 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 0 -19.732615 7.3564553 16.238125 1 43 1 +ATOM P P . DT A0 1 3 . 3 DT A0 P 0 -15.793829 10.733847 20.084984 1 44 1 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 0 -15.839573 11.890368 19.164263 1 45 1 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 0 -15.149305 10.858537 21.426968 1 46 1 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 0 -15.125913 9.515003 19.318996 1 47 1 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 0 -15.514341 8.20284 19.655807 1 48 1 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 0 -14.860188 7.2006054 18.730614 1 49 1 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 0 -15.723916 6.920087 17.598824 1 50 1 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 0 -13.529629 7.643907 18.140974 1 51 1 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 0 -12.644763 6.533331 18.167267 1 52 1 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 0 -13.880991 8.043701 16.708515 1 53 1 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 0 -14.980368 7.0467434 16.408669 1 54 1 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 0 -15.928274 7.4045506 15.324487 1 55 1 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 0 -16.352928 6.394577 14.486593 1 56 1 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 0 -15.987416 5.234407 14.589619 1 57 1 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 0 -17.235157 6.7800684 13.518668 1 58 1 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 0 -17.726368 8.053452 13.302489 1 59 1 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 0 -18.525463 8.273865 12.395209 1 60 1 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 0 -17.236609 9.066183 14.216297 1 61 1 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 0 -17.7061 10.485979 14.058458 1 62 1 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 0 -16.37622 8.696001 15.171982 1 63 1 +ATOM P P . DA A0 1 4 . 4 DA A0 P 0 -11.13628 6.68055 17.81313 1 64 1 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 0 -10.9257765 7.939834 17.059467 1 65 1 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 0 -10.362657 6.4148374 19.056267 1 66 1 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 0 -10.90621 5.4689865 16.805593 1 67 1 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 0 -11.866316 4.421386 16.72431 1 68 1 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 0 -11.691368 3.661234 15.434785 1 69 1 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 0 -12.656067 4.1060405 14.444125 1 70 1 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 0 -10.331217 3.8280213 14.791888 1 71 1 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 0 -9.979308 2.5878296 14.197843 1 72 1 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 0 -10.571108 4.9207983 13.742972 1 73 1 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 0 -11.986875 4.595508 13.304904 1 74 1 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 0 -12.78293 5.7037807 12.790485 1 75 1 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 0 -12.822647 6.993311 13.241657 1 76 1 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 0 -13.673496 7.753601 12.59996 1 77 1 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 0 -14.241473 6.900939 11.659166 1 78 1 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 0 -15.217064 7.100541 10.66531 1 79 1 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 0 -15.829836 8.264433 10.452707 1 80 1 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 0 -15.547747 6.0409627 9.897062 1 81 1 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 0 -14.936825 4.871641 10.113524 1 82 1 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 0 -14.001648 4.5637784 11.017155 1 83 1 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 0 -13.695559 5.637025 11.766967 1 84 1 +ATOM P P . DA A0 1 5 . 5 DA A0 P 0 -8.603389 2.3983867 13.544219 1 85 1 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 0 -7.867147 3.684494 13.417711 1 86 1 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 0 -7.9725294 1.2368302 14.227812 1 87 1 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 0 -9.043347 1.9472709 12.08855 1 88 1 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 0 -10.2245655 1.174959 11.9251175 1 89 1 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 0 -10.619547 1.1033468 10.47282 1 90 1 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 0 -11.364115 2.290182 10.097207 1 91 1 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 0 -9.457959 0.9962375 9.495192 1 92 1 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 0 -9.822552 0.03513886 8.511186 1 93 1 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 0 -9.336828 2.411778 8.9256525 1 94 1 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 0 -10.780159 2.892435 8.964813 1 95 1 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 0 -10.999926 4.3255596 9.10511 1 96 1 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 0 -10.378297 5.193266 9.955988 1 97 1 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 0 -10.829578 6.4221306 9.887291 1 98 1 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 0 -11.825041 6.3565044 8.917234 1 99 1 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 0 -12.685653 7.324536 8.380064 1 100 1 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 0 -12.689761 8.604076 8.762616 1 101 1 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 0 -13.553031 6.931361 7.423671 1 102 1 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 0 -13.549917 5.6488504 7.0428276 1 103 1 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 0 -12.788928 4.6403475 7.4764414 1 104 1 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 0 -11.936689 5.0702915 8.425091 1 105 1 +ATOM P P . DA A0 1 6 . 6 DA A0 P 0 -8.840443 -0.37530333 7.3635216 1 106 1 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 0 -7.472062 0.13397264 7.634656 1 107 1 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 0 -9.06045 -1.8267682 7.1173854 1 108 1 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 0 -9.440956 0.43010086 6.1384363 1 109 1 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 0 -10.825891 0.3250707 5.864071 1 110 1 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 0 -11.227503 1.2379825 4.7387114 1 111 1 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 0 -11.375309 2.590711 5.2359247 1 112 1 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 0 -10.240235 1.3098443 3.578964 1 113 1 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 0 -10.952203 1.0975747 2.3701396 1 114 1 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 0 -9.666559 2.7239892 3.6683745 1 115 1 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 0 -10.802466 3.4918852 4.3225055 1 116 1 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 0 -10.432049 4.688483 5.0672984 1 117 1 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 0 -9.475254 4.810295 6.0392094 1 118 1 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 0 -9.377665 6.0161233 6.543746 1 119 1 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 0 -10.346394 6.7453938 5.855602 1 120 1 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 0 -10.744547 8.086789 5.928767 1 121 1 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 0 -10.199941 8.9756 6.7591324 1 122 1 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 0 -11.731125 8.491997 5.1061344 1 123 1 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 0 -12.27647 7.600295 4.2738514 1 124 1 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 0 -11.986269 6.30544 4.1155643 1 125 1 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 0 -10.998766 5.9381876 4.944043 1 126 1 +ATOM P P . DA A0 1 7 . 7 DA A0 P 0 -10.149575 0.95535856 0.9930451 1 127 1 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 0 -8.684666 0.92794377 1.2394301 1 128 1 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 0 -10.803886 -0.14021069 0.23355561 1 129 1 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 0 -10.49901 2.3287888 0.27490142 1 130 1 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 0 -11.849888 2.7432563 0.20700791 1 131 1 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 0 -11.949718 4.1794834 -0.23337081 1 132 1 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 0 -11.530176 5.060818 0.835504 1 133 1 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 0 -11.100026 4.5429564 -1.4508679 1 134 1 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 0 -11.949587 5.0993857 -2.4436069 1 135 1 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 0 -10.097872 5.568598 -0.9240371 1 136 1 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 0 -10.817043 6.144074 0.28253084 1 137 1 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 0 -9.966506 6.698038 1.328352 1 138 1 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 0 -8.996319 6.0567255 2.0520084 1 139 1 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 0 -8.405622 6.818157 2.9390788 1 140 1 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 0 -9.034351 8.054231 2.7949862 1 141 1 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 0 -8.86335 9.283897 3.4460876 1 142 1 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 0 -7.976209 9.489268 4.416577 1 143 1 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 0 -9.647842 10.3122635 3.0572734 1 144 1 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 0 -10.539545 10.108927 2.0837994 1 145 1 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 0 -10.793824 8.991217 1.3979005 1 146 1 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 0 -9.994616 7.9916587 1.805321 1 147 1 +ATOM P P . DG A0 1 8 . 8 DG A0 P 0 -11.449144 5.198628 -3.9483871 1 148 1 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 0 -10.151435 4.5071015 -4.110359 1 149 1 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 0 -12.613227 4.8202357 -4.811881 1 150 1 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 0 -11.202295 6.764318 -4.088684 1 151 1 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 0 -11.990033 7.6124306 -3.3106494 1 152 1 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 0 -11.595869 9.068178 -3.4309428 1 153 1 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 0 -10.885704 9.463187 -2.22373 1 154 1 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 0 -10.690336 9.439489 -4.600867 1 155 1 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 0 -11.177181 10.636077 -5.1839466 1 156 1 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 0 -9.326825 9.659115 -3.9476032 1 157 1 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 0 -9.712412 10.150291 -2.5706344 1 158 1 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 0 -8.739065 9.877073 -1.5190531 1 159 1 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 0 -8.100546 8.686375 -1.249321 1 160 1 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 0 -7.291089 8.759308 -0.2366609 1 161 1 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 0 -7.398015 10.075927 0.19778901 1 162 1 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 0 -6.7520704 10.745806 1.2562735 1 163 1 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 0 -5.923758 10.284398 2.0605145 1 164 1 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 0 -7.145855 12.078733 1.3480234 1 165 1 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 0 -8.052362 12.6824665 0.5126786 1 166 1 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 0 -8.307079 13.977197 0.7587748 1 167 1 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 0 -8.668425 12.071704 -0.48279104 1 168 1 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 0 -8.290415 10.777565 -0.5837507 1 169 1 +ATOM P P . DG A0 1 9 . 9 DG A0 P 0 -10.66074 11.107945 -6.610104 1 170 1 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 0 -9.588416 10.229077 -7.1275463 1 171 1 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 0 -11.887799 11.362353 -7.413254 1 172 1 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 0 -10.016672 12.509847 -6.2486954 1 173 1 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 0 -10.755381 13.398854 -5.450827 1 174 1 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 0 -9.912203 14.605339 -5.0965576 1 175 1 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 0 -9.058094 14.301258 -3.9710865 1 176 1 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 0 -8.988693 15.075372 -6.2056684 1 177 1 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 0 -8.942937 16.490902 -6.155893 1 178 1 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 0 -7.636221 14.458807 -5.825356 1 179 1 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 0 -7.7063093 14.538971 -4.31495 1 180 1 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 0 -6.8995476 13.586325 -3.555171 1 181 1 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 0 -6.7834306 12.2324915 -3.7549453 1 182 1 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 0 -6.01161 11.648678 -2.8828557 1 183 1 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 0 -5.593343 12.679138 -2.0501127 1 184 1 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 0 -4.735836 12.656507 -0.92012906 1 185 1 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 0 -4.1673465 11.695208 -0.39889562 1 186 1 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 0 -4.5717096 13.934069 -0.3737442 1 187 1 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 0 -5.1669655 15.083918 -0.85896784 1 188 1 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 0 -4.884753 16.215977 -0.19974744 1 189 1 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 0 -5.9713225 15.106499 -1.9142089 1 190 1 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 0 -6.1364155 13.876511 -2.4571552 1 191 1 +ATOM P P . DA A0 1 10 . 10 DA A0 P 0 -8.486055 17.361982 -7.417968 1 192 1 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 0 -8.256641 16.494442 -8.598374 1 193 1 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 0 -9.458757 18.489185 -7.485115 1 194 1 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 0 -7.0937977 17.945713 -6.9412327 1 195 1 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 0 -7.048592 18.619137 -5.7050295 1 196 1 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 0 -5.625188 18.750355 -5.2325783 1 197 1 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 0 -5.2070894 17.544674 -4.5450506 1 198 1 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 0 -4.5959234 18.988813 -6.3438725 1 199 1 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 0 -3.7750072 20.07528 -5.9733777 1 200 1 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 0 -3.7965682 17.685501 -6.3742785 1 201 1 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 0 -3.8791866 17.28154 -4.9167433 1 202 1 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 0 -3.5646327 15.893237 -4.5957985 1 203 1 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 0 -3.93193 14.750756 -5.271162 1 204 1 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 0 -3.4703856 13.643976 -4.7362165 1 205 1 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 0 -2.7525039 14.08802 -3.626039 1 206 1 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 0 -2.0188003 13.411243 -2.6406655 1 207 1 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 0 -1.874295 12.080032 -2.5955944 1 208 1 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 0 -1.4291067 14.145083 -1.6742918 1 209 1 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 0 -1.5760092 15.479813 -1.7130152 1 210 1 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 0 -2.239736 16.23204 -2.5958781 1 211 1 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 0 -2.812862 15.465387 -3.5389452 1 212 1 +ATOM P P . DA A0 1 11 . 11 DA A0 P 0 -3.0493958 20.99086 -7.0498834 1 213 1 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 0 -2.870398 20.22516 -8.307612 1 214 1 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 0 -3.7618108 22.304024 -7.050193 1 215 1 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 0 -1.6287506 21.210331 -6.379733 1 216 1 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 0 -1.578083 21.414757 -4.976493 1 217 1 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 0 -0.34181073 20.772783 -4.398116 1 218 1 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 0 -0.50630486 19.342735 -4.2808986 1 219 1 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 0 0.9283298 20.991383 -5.2225637 1 220 1 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 0 1.9271483 21.517687 -4.3690014 1 221 1 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 0 1.2815123 19.593182 -5.723386 1 222 1 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 0 0.7073581 18.729486 -4.613741 1 223 1 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 0 0.47024375 17.333424 -4.9487467 1 224 1 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 0 -0.21585393 16.817108 -6.0210257 1 225 1 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 0 -0.23348558 15.505276 -6.057646 1 226 1 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 0 0.4905442 15.136097 -4.92548 1 227 1 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 0 0.83758026 13.880203 -4.3957796 1 228 1 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 0 0.49072754 12.712439 -4.948022 1 229 1 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 0 1.5642085 13.85947 -3.2544618 1 230 1 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 0 1.9129149 15.026743 -2.6966336 1 231 1 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 0 1.6446242 16.265556 -3.108457 1 232 1 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 0 0.92062736 16.250973 -4.2398605 1 233 1 +ATOM P P . DG A0 1 12 . 12 DG A0 P 0 3.3819795 21.876518 -4.896333 1 234 1 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 0 3.461183 21.548239 -6.340449 1 235 1 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 0 3.695354 23.240326 -4.416021 1 236 1 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 0 4.282402 20.846 -4.0961437 1 237 1 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 0 4.0224495 20.583796 -2.7211165 1 238 1 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 0 5.029763 19.590408 -2.186799 1 239 1 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 0 4.608451 18.232452 -2.5082073 1 240 1 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 0 6.418598 19.75922 -2.7776113 1 241 1 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 0 7.390482 19.604149 -1.7536352 1 242 1 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 0 6.504592 18.654716 -3.8218277 1 243 1 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 0 5.6326103 17.570814 -3.2127056 1 244 1 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 0 5.002781 16.66843 -4.1713057 1 245 1 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 0 4.2057295 17.000284 -5.2386885 1 246 1 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 0 3.7783103 15.967335 -5.9119787 1 247 1 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 0 4.318981 14.880073 -5.2421093 1 248 1 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 0 4.2116356 13.491795 -5.503132 1 249 1 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 0 3.5791879 12.925428 -6.4069524 1 250 1 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 0 4.9307127 12.725235 -4.581231 1 251 1 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 0 5.6590776 13.242122 -3.536705 1 252 1 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 0 6.2834926 12.349031 -2.75435 1 253 1 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 0 5.7696104 14.5409 -3.279675 1 254 1 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 0 5.073843 15.295959 -4.168889 1 255 1 +ATOM P P . DT A0 1 13 . 13 DT A0 P 0 8.923534 19.815836 -2.1166263 1 256 1 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 0 9.041163 20.364958 -3.4893208 1 257 1 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 0 9.547403 20.53052 -0.97168076 1 258 1 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 0 9.462213 18.331917 -2.1475797 1 259 1 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 0 8.979099 17.401653 -1.2048318 1 260 1 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 0 9.814824 16.138483 -1.2642086 1 261 1 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 0 9.195122 15.185806 -2.162029 1 262 1 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 0 11.22522 16.359304 -1.7860303 1 263 1 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 0 12.124574 15.62466 -0.97179604 1 264 1 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 0 11.176603 15.858002 -3.2297149 1 265 1 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 0 10.106602 14.78129 -3.1589932 1 266 1 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 0 9.309975 14.550236 -4.398518 1 267 1 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 0 9.087828 13.25285 -4.8059883 1 268 1 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 0 9.543826 12.282663 -4.2258897 1 269 1 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 0 8.3070545 13.118887 -5.918049 1 270 1 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 0 7.7355943 14.1395 -6.65362 1 271 1 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 0 7.0408926 13.90196 -7.6369286 1 272 1 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 0 8.013309 15.476527 -6.1771426 1 273 1 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 0 7.44965 16.654417 -6.91174 1 274 1 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 0 8.773295 15.615366 -5.0821347 1 275 1 +ATOM P P . DG A0 1 14 . 14 DG A0 P 0 13.691654 15.79123 -1.098694 1 276 1 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 0 13.952829 17.006783 -1.9055929 1 277 1 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 0 14.293524 15.630674 0.2524264 1 278 1 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 0 14.076577 14.529228 -1.9587858 1 279 1 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 0 13.721668 13.24721 -1.4805293 1 280 1 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 0 14.228802 12.195244 -2.4386904 1 281 1 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 0 13.343863 12.0877285 -3.5791273 1 282 1 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 0 15.603706 12.511093 -3.005501 1 283 1 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 0 16.327333 11.304179 -3.0677218 1 284 1 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 0 15.292892 13.081375 -4.388596 1 285 1 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 0 14.068922 12.281446 -4.766606 1 286 1 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 0 13.157254 12.886957 -5.7283173 1 287 1 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 0 12.912571 14.219067 -5.959431 1 288 1 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 0 12.014019 14.4346695 -6.878576 1 289 1 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 0 11.63039 13.161737 -7.28243 1 290 1 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 0 10.688462 12.750908 -8.256126 1 291 1 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 0 9.963993 13.452394 -8.974886 1 292 1 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 0 10.612736 11.36108 -8.349169 1 293 1 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 0 11.352971 10.4810505 -7.599258 1 294 1 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 0 11.143532 9.183769 -7.8302584 1 295 1 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 0 12.242662 10.858047 -6.6881866 1 296 1 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 0 12.328069 12.2033825 -6.58323 1 297 1 +ATOM P P . DG A0 1 15 . 15 DG A0 P 0 17.820705 11.248102 -3.4459777 1 298 1 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 0 18.227936 12.527572 -4.081622 1 299 1 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 0 18.568626 10.729702 -2.2655263 1 300 1 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 0 17.818548 10.11669 -4.555139 1 301 1 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 0 17.04535 8.940655 -4.3560686 1 302 1 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 0 16.897589 8.2208395 -5.6801558 1 303 1 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 0 15.8653555 8.867055 -6.468813 1 304 1 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 0 18.172733 8.253842 -6.5135927 1 305 1 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 0 18.391994 6.991688 -7.119732 1 306 1 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 0 17.88078 9.340853 -7.5455637 1 307 1 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 0 16.384737 9.202673 -7.7315826 1 308 1 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 0 15.714119 10.417595 -8.18509 1 309 1 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 0 15.928003 11.704424 -7.7577763 1 310 1 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 0 15.187685 12.589045 -8.365528 1 311 1 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 0 14.424747 11.836782 -9.248855 1 312 1 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 0 13.441116 12.239307 -10.184088 1 313 1 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 0 13.029785 13.381992 -10.418446 1 314 1 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 0 12.912281 11.1575365 -10.880731 1 315 1 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 0 13.293659 9.848219 -10.701761 1 316 1 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 0 12.6713 8.94208 -11.465944 1 317 1 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 0 14.218718 9.457138 -9.837584 1 318 1 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 0 14.734517 10.497613 -9.1451645 1 319 1 +ATOM P P . DG A0 1 16 . 16 DG A0 P 0 19.557198 6.7963057 -8.1465645 1 320 1 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 0 20.31815 8.073772 -8.233893 1 321 1 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 0 20.260195 5.5314245 -7.8513737 1 322 1 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 0 18.7414 6.6354494 -9.500061 1 323 1 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 0 17.659431 5.706668 -9.58991 1 324 1 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 0 17.13733 5.673575 -11.012136 1 325 1 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 0 16.43498 6.916861 -11.290014 1 326 1 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 0 18.23309 5.5666146 -12.061412 1 327 1 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 0 17.747849 4.850114 -13.181431 1 328 1 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 0 18.476913 7.0204277 -12.449064 1 329 1 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 0 17.065311 7.5808144 -12.375391 1 330 1 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 0 16.970459 9.014999 -12.129141 1 331 1 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 0 17.69542 9.76352 -11.241657 1 332 1 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 0 17.375305 11.030077 -11.247426 1 333 1 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 0 16.364014 11.122143 -12.200445 1 334 1 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 0 15.624837 12.242285 -12.655845 1 335 1 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 0 15.706551 13.416985 -12.283835 1 336 1 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 0 14.703936 11.893558 -13.639273 1 337 1 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 0 14.519457 10.618677 -14.120855 1 338 1 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 0 13.583276 10.477995 -15.078066 1 339 1 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 0 15.207079 9.557419 -13.712685 1 340 1 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 0 16.107267 9.885599 -12.750149 1 341 1 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 0 11.990083 22.345104 -14.792055 1 342 1 +ATOM P P . DT B0 2 1 . 1 DT B0 P 0 13.455994 22.772034 -15.448828 1 343 1 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 0 13.947577 22.736874 -14.090612 1 344 1 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 0 12.832842 23.662548 -16.283539 1 345 1 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 0 13.980513 21.476583 -16.423082 1 346 1 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 0 13.869176 21.690449 -17.797104 1 347 1 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 0 13.29896 20.440483 -18.493383 1 348 1 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 0 14.312862 19.40915 -18.434341 1 349 1 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 0 12.073716 19.899542 -17.780556 1 350 1 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 0 11.011972 19.61056 -18.680794 1 351 1 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 0 12.547321 18.623653 -17.085958 1 352 1 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 0 13.78637 18.221828 -17.858698 1 353 1 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 0 14.785893 17.648893 -16.916702 1 354 1 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 0 15.171549 16.339306 -17.045012 1 355 1 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 0 14.786968 15.600613 -17.936455 1 356 1 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 0 16.047417 15.902014 -16.092451 1 357 1 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 0 16.554695 16.639605 -15.041899 1 358 1 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 0 17.326939 16.14619 -14.229516 1 359 1 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 0 16.113907 17.996284 -14.960297 1 360 1 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 0 16.60553 18.88898 -13.8486395 1 361 1 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 0 15.261943 18.436481 -15.895449 1 362 1 +ATOM P P . DC B0 2 2 . 2 DC B0 P 0 9.561153 19.285824 -17.942833 1 363 1 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 0 9.6708 19.50414 -16.480015 1 364 1 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 0 8.517068 19.98587 -18.724451 1 365 1 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 0 9.43832 17.717793 -18.206768 1 366 1 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 0 9.897482 17.147568 -19.420712 1 367 1 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 0 9.913232 15.635977 -19.303585 1 368 1 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 0 11.091176 15.209206 -18.549149 1 369 1 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 0 8.707674 15.059813 -18.570969 1 370 1 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 0 8.252883 13.871918 -19.214182 1 371 1 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 0 9.246494 14.745832 -17.181974 1 372 1 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 0 10.699457 14.3965645 -17.461994 1 373 1 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 0 11.604407 14.674263 -16.32139 1 374 1 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 0 12.404823 13.646347 -15.80896 1 375 1 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 0 12.341351 12.519485 -16.336338 1 376 1 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 0 13.226416 13.8997555 -14.763369 1 377 1 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 0 13.256168 15.121404 -14.242596 1 378 1 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 0 14.076048 15.331184 -13.208897 1 379 1 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 0 12.457096 16.187878 -14.732103 1 380 1 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 0 11.656126 15.921935 -15.772818 1 381 1 +ATOM P P . DC B0 2 3 . 3 DC B0 P 0 6.840439 13.256363 -18.760727 1 382 1 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 0 6.263877 14.094433 -17.679615 1 383 1 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 0 6.088854 13.070978 -20.034595 1 384 1 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 0 7.1557665 11.8243885 -18.135616 1 385 1 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 0 8.349275 11.132816 -18.443668 1 386 1 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 0 8.475141 9.921207 -17.526855 1 387 1 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 0 9.453546 10.20869 -16.483448 1 388 1 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 0 7.191087 9.5515 -16.799965 1 389 1 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 0 7.087388 8.135731 -16.694666 1 390 1 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 0 7.3518353 10.194743 -15.426043 1 391 1 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 0 8.852951 10.112578 -15.207115 1 392 1 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 0 9.3859415 11.205289 -14.366835 1 393 1 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 0 10.380526 10.923082 -13.422276 1 394 1 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 0 10.798324 9.759277 -13.324877 1 395 1 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 0 10.858618 11.9268875 -12.658279 1 396 1 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 0 10.384577 13.165838 -12.808283 1 397 1 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 0 10.880537 14.125504 -12.032091 1 398 1 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 0 9.369727 13.476564 -13.755142 1 399 1 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 0 8.909185 12.474511 -14.510071 1 400 1 +ATOM P P . DC B0 2 4 . 4 DC B0 P 0 5.767125 7.4808617 -16.051056 1 401 1 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 0 4.938124 8.511827 -15.386637 1 402 1 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 0 5.1844006 6.6478004 -17.131569 1 403 1 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 0 6.344958 6.5215836 -14.924507 1 404 1 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 0 7.693985 6.112429 -14.964039 1 405 1 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 0 8.168636 5.6950274 -13.58374 1 406 1 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 0 8.691347 6.84035 -12.862351 1 407 1 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 0 7.0933437 5.1044464 -12.691967 1 408 1 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 0 7.694242 4.091807 -11.906124 1 409 1 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 0 6.663286 6.2901926 -11.821444 1 410 1 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 0 7.990876 7.002417 -11.639849 1 411 1 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 0 7.9291134 8.457614 -11.3733635 1 412 1 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 0 8.838381 9.006182 -10.473035 1 413 1 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 0 9.652998 8.264766 -9.902927 1 414 1 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 0 8.811067 10.33584 -10.251271 1 415 1 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 0 7.929759 11.110762 -10.887873 1 416 1 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 0 7.9391823 12.414787 -10.641936 1 417 1 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 0 6.9872894 10.563438 -11.808968 1 418 1 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 0 7.0269995 9.248458 -12.020502 1 419 1 +ATOM P P . DA B0 2 5 . 5 DA B0 P 0 6.8803196 2.7813578 -11.511183 1 420 1 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 0 5.453751 2.9705505 -11.877756 1 421 1 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 0 7.6431065 1.6118089 -11.999528 1 422 1 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 0 6.990288 2.8103828 -9.93475 1 423 1 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 0 8.266315 2.8757248 -9.326462 1 424 1 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 0 8.163369 3.5230417 -7.9647055 1 425 1 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 0 8.007313 4.9586253 -8.115092 1 426 1 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 0 6.976138 3.0549946 -7.1157227 1 427 1 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 0 7.443544 2.8535533 -5.791704 1 428 1 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 0 6.0023646 4.2365065 -7.1985683 1 429 1 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 0 6.9902263 5.391119 -7.2498894 1 430 1 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 0 6.4922466 6.6725044 -7.709791 1 431 1 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 0 5.476556 6.9299684 -8.597373 1 432 1 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 0 5.2533236 8.202824 -8.802092 1 433 1 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 0 6.193806 8.831637 -7.9953184 1 434 1 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 0 6.479035 10.186473 -7.759137 1 435 1 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 0 5.8203716 11.192375 -8.331251 1 436 1 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 0 7.480953 10.47658 -6.900626 1 437 1 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 0 8.14315 9.465822 -6.3254333 1 438 1 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 0 7.95768 8.152859 -6.4712014 1 439 1 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 0 6.959646 7.90479 -7.325863 1 440 1 +ATOM P P . DC B0 2 6 . 6 DC B0 P 0 6.585229 1.925952 -4.8051343 1 441 1 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 0 6.05896 0.78449476 -5.585701 1 442 1 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 0 7.4242153 1.6688621 -3.5900729 1 443 1 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 0 5.370171 2.8857765 -4.43779 1 444 1 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 0 5.2614307 3.4515128 -3.150621 1 445 1 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 0 6.1881075 4.6095243 -2.9451292 1 446 1 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 0 6.0026503 5.6067095 -3.9879127 1 447 1 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 0 5.963803 5.344143 -1.6309209 1 448 1 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 0 7.190255 5.623864 -0.98309785 1 449 1 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 0 5.293559 6.6477623 -2.061156 1 450 1 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 0 5.8891683 6.878282 -3.4113255 1 451 1 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 0 5.0651875 7.7702627 -4.2696476 1 452 1 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 0 5.321644 9.141936 -4.261092 1 453 1 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 0 6.236717 9.590489 -3.573854 1 454 1 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 0 4.557685 9.950726 -5.0278926 1 455 1 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 0 3.5764241 9.439632 -5.777716 1 456 1 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 0 2.8577006 10.276466 -6.514979 1 457 1 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 0 3.3171 8.034135 -5.7947893 1 458 1 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 0 4.074874 7.2431345 -5.034469 1 459 1 +ATOM P P . DT B0 2 7 . 7 DT B0 P 0 7.1639514 5.89285 0.5978708 1 460 1 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 0 6.0319858 5.16663 1.2345959 1 461 1 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 0 8.550263 5.6839886 1.0884373 1 462 1 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 0 6.8298454 7.446844 0.67979985 1 463 1 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 0 7.7754636 8.389809 0.24748352 1 464 1 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 0 7.327392 9.797706 0.5928818 1 465 1 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 0 6.3242664 10.24082 -0.3540269 1 466 1 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 0 6.6968393 9.977472 1.9775221 1 467 1 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 0 7.2320633 11.183366 2.5144053 1 468 1 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 0 5.1982718 10.103073 1.6897397 1 469 1 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 0 5.2240305 10.795811 0.3399719 1 470 1 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 0 4.064611 10.635216 -0.5807023 1 471 1 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 0 3.5973742 11.7743025 -1.1947749 1 472 1 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 0 4.034072 12.8859625 -0.9554524 1 473 1 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 0 2.5987446 11.569872 -2.1110883 1 474 1 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 0 2.032888 10.363607 -2.4571261 1 475 1 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 0 1.1491151 10.305109 -3.3084278 1 476 1 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 0 2.5599241 9.208491 -1.7688477 1 477 1 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 0 1.999023 7.852257 -2.0696938 1 478 1 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 0 3.5376081 9.400704 -0.8753245 1 479 1 +ATOM P P . DT B0 2 8 . 8 DT B0 P 0 7.106163 11.541441 4.054185 1 480 1 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 0 6.519247 10.402406 4.7967567 1 481 1 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 0 8.428831 12.091711 4.46027 1 482 1 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 0 6.051736 12.72842 4.0458794 1 483 1 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 0 6.3237906 13.876844 3.2694685 1 484 1 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 0 5.1233945 14.798981 3.214315 1 485 1 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 0 4.182023 14.342813 2.2062368 1 486 1 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 0 4.318646 14.934824 4.5107803 1 487 1 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 0 4.2218466 16.32566 4.8029256 1 488 1 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 0 2.9588897 14.320425 4.1826553 1 489 1 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 0 2.8758192 14.535619 2.6816192 1 490 1 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 0 2.0017307 13.604812 1.9088172 1 491 1 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 0 1.2021793 14.136387 0.9075109 1 492 1 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 0 1.1550729 15.326118 0.6505625 1 493 1 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 0 0.46141523 13.218666 0.2088562 1 494 1 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 0 0.44426936 11.85477 0.42148528 1 495 1 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 0 -0.257344 11.117794 -0.27198312 1 496 1 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 0 1.2975893 11.360751 1.4812464 1 497 1 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 0 1.3366238 9.893576 1.7903235 1 498 1 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 0 2.0266178 12.253361 2.1668432 1 499 1 +ATOM P P . DC B0 2 9 . 9 DC B0 P 0 3.4950292 16.827034 6.1771336 1 500 1 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 0 3.3981616 15.710475 7.144492 1 501 1 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 0 4.1796036 18.090645 6.5672545 1 502 1 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 0 2.03054 17.192242 5.6760054 1 503 1 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 0 1.880632 18.002535 4.5340824 1 504 1 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 0 0.41839203 18.241863 4.239312 1 505 1 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 0 -0.073841006 17.199406 3.3476446 1 506 1 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 0 -0.5057994 18.238384 5.4610624 1 507 1 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 0 -1.2946095 19.415953 5.4430866 1 508 1 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 0 -1.356044 16.988384 5.277508 1 509 1 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 0 -1.3512638 16.81852 3.7717247 1 510 1 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 0 -1.612755 15.445583 3.2855573 1 511 1 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 0 -2.472755 15.255295 2.1939914 1 512 1 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 0 -2.9744265 16.250498 1.6416631 1 513 1 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 0 -2.72956 14.003669 1.7601861 1 514 1 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 0 -2.169589 12.962721 2.3810947 1 515 1 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 0 -2.4562886 11.736242 1.923813 1 516 1 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 0 -1.2930143 13.125937 3.4957569 1 517 1 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 0 -1.04245 14.375616 3.9099727 1 518 1 +ATOM P P . DC B0 2 10 . 10 DC B0 P 0 -2.2129292 19.79175 6.744026 1 519 1 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 0 -1.9987271 18.804733 7.828235 1 520 1 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 0 -1.9869304 21.242296 6.992687 1 521 1 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 0 -3.6889944 19.607376 6.1794972 1 522 1 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 0 -4.009526 20.12399 4.902757 1 523 1 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 0 -5.261361 19.478642 4.3818407 1 524 1 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 0 -4.968808 18.132418 3.8942337 1 525 1 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 0 -6.3908863 19.316006 5.4093695 1 526 1 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 0 -7.5949745 19.80304 4.8543158 1 527 1 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 0 -6.4697323 17.813316 5.6148586 1 528 1 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 0 -6.042099 17.318977 4.245282 1 529 1 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 0 -5.663534 15.889209 4.2079277 1 530 1 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 0 -6.1988215 15.09257 3.196433 1 531 1 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 0 -6.9184175 15.612133 2.33681 1 532 1 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 0 -5.9148827 13.769963 3.182 1 533 1 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 0 -5.1317167 13.244856 4.1259184 1 534 1 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 0 -4.887455 11.938498 4.0743876 1 535 1 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 0 -4.5664907 14.04337 5.169551 1 536 1 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 0 -4.856419 15.350637 5.1687202 1 537 1 +ATOM P P . DT B0 2 11 . 11 DT B0 P 0 -8.924223 19.913122 5.784198 1 538 1 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 0 -8.801692 19.06559 6.9912605 1 539 1 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 0 -9.207092 21.36008 5.903286 1 540 1 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 0 -10.024855 19.25819 4.8341455 1 541 1 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 0 -10.023763 19.55465 3.447309 1 542 1 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 0 -10.879029 18.555162 2.6982064 1 543 1 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 0 -10.236448 17.254005 2.7098825 1 544 1 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 0 -12.268965 18.347794 3.2945752 1 545 1 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 0 -13.213108 18.317562 2.2367377 1 546 1 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 0 -12.162149 17.007334 4.019889 1 547 1 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 0 -11.141544 16.272402 3.1689787 1 548 1 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 0 -10.351133 15.214415 3.8686619 1 549 1 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 0 -10.381834 13.933293 3.368886 1 550 1 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 0 -11.030708 13.604045 2.3850875 1 551 1 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 0 -9.618536 13.028472 4.056301 1 552 1 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 0 -8.846439 13.273404 5.1751738 1 553 1 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 0 -8.194359 12.376758 5.705061 1 554 1 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 0 -8.864668 14.637878 5.6493773 1 555 1 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 0 -8.056686 15.007622 6.860446 1 556 1 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 0 -9.604275 15.531001 4.982379 1 557 1 +ATOM P P . DT B0 2 12 . 12 DT B0 P 0 -14.7861595 18.406898 2.549157 1 558 1 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 0 -15.003768 18.389938 4.0218906 1 559 1 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 0 -15.315512 19.516249 1.7251087 1 560 1 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 0 -15.32822 17.03778 1.9569954 1 561 1 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 0 -14.505238 15.908639 2.0478601 1 562 1 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 0 -15.082247 14.742231 1.3038864 1 563 1 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 0 -14.2693405 13.607849 1.6441205 1 564 1 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 0 -16.50357 14.344517 1.696173 1 565 1 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 0 -17.121035 13.700459 0.58785117 1 566 1 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 0 -16.267412 13.416758 2.883131 1 567 1 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 0 -14.952938 12.740708 2.5259683 1 568 1 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 0 -14.049908 12.462563 3.6800961 1 569 1 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 0 -13.43272 11.238653 3.7404935 1 570 1 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 0 -13.591915 10.371918 2.8968072 1 571 1 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 0 -12.60466 11.054455 4.8240595 1 572 1 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 0 -12.348236 11.963039 5.8280544 1 573 1 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 0 -11.585856 11.685786 6.7452507 1 574 1 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 0 -13.0309515 13.232475 5.7050276 1 575 1 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 0 -12.819293 14.284697 6.746707 1 576 1 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 0 -13.838625 13.418721 4.647513 1 577 1 +ATOM P P . DT B0 2 13 . 13 DT B0 P 0 -18.538948 12.961189 0.8073386 1 578 1 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 0 -19.22081 13.5032 2.006838 1 579 1 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 0 -19.194202 13.038511 -0.52453923 1 580 1 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 0 -18.1627 11.443768 1.0840294 1 581 1 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 0 -17.29644 10.768532 0.18588175 1 582 1 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 0 -17.140059 9.30954 0.56923306 1 583 1 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 0 -16.303633 9.181715 1.7465518 1 584 1 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 0 -18.43674 8.571302 0.8921593 1 585 1 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 0 -18.34709 7.2827845 0.27869016 1 586 1 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 0 -18.435076 8.479145 2.4178119 1 587 1 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 0 -16.948841 8.371426 2.71273 1 588 1 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 0 -16.465107 8.844555 4.0417767 1 589 1 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 0 -15.596846 8.033995 4.7358475 1 590 1 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 0 -15.250475 6.924592 4.344969 1 591 1 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 0 -15.126049 8.557857 5.9048347 1 592 1 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 0 -15.432191 9.788072 6.450211 1 593 1 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 0 -14.933599 10.148083 7.511317 1 594 1 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 0 -16.362587 10.582901 5.683081 1 595 1 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 0 -16.770077 11.933755 6.1928635 1 596 1 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 0 -16.822718 10.082554 4.5283947 1 597 1 +ATOM P P . DT B0 2 14 . 14 DT B0 P 0 -19.572048 6.209264 0.3839007 1 598 1 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 0 -20.766739 6.899961 0.91934055 1 599 1 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 0 -19.62367 5.522188 -0.9320023 1 600 1 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 0 -19.063725 5.1628942 1.4636853 1 601 1 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 0 -17.835968 4.4939775 1.2363393 1 602 1 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 0 -17.482962 3.5970924 2.4133053 1 603 1 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 0 -17.085938 4.3925867 3.5556393 1 604 1 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 0 -18.607721 2.692141 2.9055252 1 605 1 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 0 -18.057892 1.382257 3.0332808 1 606 1 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 0 -19.006903 3.2784228 4.256135 1 607 1 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 0 -17.6921 3.8736289 4.7227755 1 608 1 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 0 -17.746378 4.9799294 5.712612 1 609 1 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 0 -16.902378 4.9325433 6.7967324 1 610 1 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 0 -16.131058 4.0077486 7.013582 1 611 1 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 0 -16.966948 6.0084953 7.627983 1 612 1 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 0 -17.78651 7.10747 7.48933 1 613 1 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 0 -17.760502 8.027563 8.303903 1 614 1 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 0 -18.655067 7.0912294 6.3392878 1 615 1 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 0 -19.586788 8.239042 6.094009 1 616 1 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 0 -18.592781 6.042713 5.514374 1 617 1 +ATOM P P . DA B0 2 15 . 15 DA B0 P 0 -18.945595 0.1326708 3.4987383 1 618 1 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 0 -20.381174 0.5058331 3.5612326 1 619 1 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 0 -18.495026 -1.0078255 2.654594 1 620 1 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 0 -18.438717 -0.11626215 4.988089 1 621 1 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 0 -17.060135 -0.11167464 5.2616744 1 622 1 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 0 -16.806332 -0.38493508 6.7308507 1 623 1 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 0 -16.91929 0.8484616 7.48789 1 624 1 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 0 -17.76168 -1.3779668 7.379492 1 625 1 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 0 -16.980564 -2.3017788 8.128741 1 626 1 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 0 -18.662825 -0.49623036 8.254671 1 627 1 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 0 -17.743183 0.6582672 8.61643 1 628 1 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 0 -18.381037 1.9421483 8.884254 1 629 1 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 0 -19.356236 2.5553613 8.145264 1 630 1 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 0 -19.70569 3.7320347 8.605334 1 631 1 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 0 -18.903574 3.906694 9.730337 1 632 1 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 0 -18.793566 4.958625 10.655008 1 633 1 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 0 -19.515987 6.0724983 10.602452 1 634 1 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 0 -17.899555 4.8122096 11.658246 1 635 1 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 0 -17.172123 3.6906016 11.71451 1 636 1 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 0 -17.187634 2.6383903 10.895597 1 637 1 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 0 -18.08485 2.8099756 9.909437 1 638 1 +ATOM P P . DT B0 2 16 . 16 DT B0 P 0 -17.63461 -3.4349034 9.039683 1 639 1 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 0 -19.07927 -3.5805902 8.726925 1 640 1 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 0 -16.73401 -4.616993 8.979422 1 641 1 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 0 -17.515451 -2.7855802 10.482971 1 642 1 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 0 -16.281939 -2.212452 10.8912525 1 643 1 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 0 -16.379501 -1.755394 12.323803 1 644 1 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 0 -16.992085 -0.42842954 12.3732395 1 645 1 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 0 -17.233215 -2.6532903 13.211737 1 646 1 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 0 -16.61684 -2.7687383 14.486465 1 647 1 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 0 -18.549986 -1.8857489 13.321908 1 648 1 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 0 -18.042192 -0.4489655 13.321857 1 649 1 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 0 -19.014513 0.60374093 12.955013 1 650 1 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 0 -18.954916 1.7988399 13.643296 1 651 1 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 0 -18.14669 2.021422 14.52977 1 652 1 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 0 -19.872211 2.73639 13.256607 1 653 1 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 0 -20.820805 2.602294 12.256321 1 654 1 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 0 -21.589966 3.5229878 11.997847 1 655 1 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 0 -20.832726 1.319835 11.576139 1 656 1 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 0 -21.837051 1.0622334 10.4794655 1 657 1 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 0 -19.936749 0.39498785 11.953544 1 658 1 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 0 25.08152 8.196528 -8.033491 1 659 1 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 0 23.794422 8.597871 -7.4605637 1 660 1 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 0 22.637106 7.675864 -7.778508 1 661 1 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 0 21.471165 8.085882 -7.669883 1 662 1 +ATOM N N . SER C0 3 2 . 2 SER C0 N 0 22.938278 6.4586716 -8.132741 1 663 1 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 0 21.893581 5.505416 -8.482706 1 664 1 +ATOM C C . SER C0 3 2 . 2 SER C0 C 0 21.577518 4.576748 -7.3168616 1 665 1 +ATOM O O . SER C0 3 2 . 2 SER C0 O 0 22.478434 4.133573 -6.6133585 1 666 1 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 0 22.300896 4.6872034 -9.705797 1 667 1 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 0 23.23213 3.6712904 -9.370284 1 668 1 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 0 20.293686 4.3030996 -7.139426 1 669 1 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 0 19.840946 3.3867881 -6.1002846 1 670 1 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 0 18.6848 2.5354462 -6.6016874 1 671 1 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 0 17.713142 3.0427904 -7.1581497 1 672 1 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 0 19.433662 4.1503077 -4.8366737 1 673 1 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 0 20.570227 4.4478693 -3.8726983 1 674 1 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 0 20.101656 4.3758874 -2.4096806 1 675 1 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 0 21.271381 4.200757 -1.4647712 1 676 1 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 0 20.83775 3.8038478 -0.10264888 1 677 1 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 0 18.821724 1.2353328 -6.4060965 1 678 1 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 0 17.772097 0.2951151 -6.752404 1 679 1 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 0 16.81356 0.23289427 -5.5720205 1 680 1 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 0 16.764812 -0.7599608 -4.8276687 1 681 1 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 0 18.406662 -1.0752945 -7.027715 1 682 1 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 0 17.418924 -2.1807241 -7.3033805 1 683 1 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 0 18.045975 -3.5568311 -7.0345206 1 684 1 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 0 18.928696 -4.0255785 -8.173747 1 685 1 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 0 19.433075 -5.398986 -7.9358225 1 686 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 16.06827 1.3096366 -5.372302 1 687 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 15.2248335 1.4614463 -4.191706 1 688 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 14.07766 0.4658814 -4.1650105 1 689 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 13.279037 0.39649695 -5.1045628 1 690 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 14.69157 2.9040418 -4.10867 1 691 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 14.258682 3.3278563 -2.7250803 1 692 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 13.211953 4.4723167 -2.7917118 1 693 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 13.767305 5.808891 -3.2345405 1 694 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 14.368855 6.577979 -2.1154184 1 695 1 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 0 13.980053 -0.27976218 -3.0834002 1 696 1 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 0 12.964567 -1.3056376 -2.9042952 1 697 1 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 0 11.550886 -0.7261271 -2.9581792 1 698 1 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 0 11.300111 0.38330132 -2.484761 1 699 1 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 0 13.178074 -2.0854053 -1.5814936 1 700 1 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 0 12.292473 -3.32752 -1.5281514 1 701 1 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 0 12.922367 -1.1765268 -0.38489896 1 702 1 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 0 12.573419 -4.2410226 -0.33858895 1 703 1 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 0 10.638599 -1.4876863 -3.5392666 1 704 1 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 0 9.246544 -1.0614765 -3.616153 1 705 1 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 0 8.473169 -1.5913067 -2.4201927 1 706 1 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 0 8.850226 -2.6254792 -1.8395145 1 707 1 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 0 8.621175 -1.5595655 -4.92798 1 708 1 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 0 9.519678 -1.3311533 -6.1112337 1 709 1 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 0 8.901268 -1.2298799 -7.4954805 1 710 1 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 0 7.482193 -0.952428 -7.5567584 1 711 1 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 0 6.8065367 -0.8502078 -8.693798 1 712 1 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 0 7.4189277 -0.9939455 -9.848484 1 713 1 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 0 5.5087867 -0.5972641 -8.654682 1 714 1 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 0 7.395925 -0.90940034 -2.055944 1 715 1 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 0 6.6056204 -1.2765846 -0.89057875 1 716 1 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 0 6.1081047 -2.7240615 -0.94644976 1 717 1 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 0 6.224742 -3.4622414 0.037050366 1 718 1 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 0 5.4176707 -0.31902725 -0.7160827 1 719 1 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 0 4.455599 -0.63958037 0.43789557 1 720 1 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 0 3.28842 0.3455872 0.42839086 1 721 1 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 0 5.1757503 -0.60416406 1.7758436 1 722 1 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 0 5.5604753 -3.133851 -2.0925312 1 723 1 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 0 5.0199413 -4.490569 -2.1841893 1 724 1 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 0 6.093332 -5.5522666 -1.9670352 1 725 1 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 0 5.81968 -6.610721 -1.3887062 1 726 1 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 0 4.269456 -4.7087784 -3.5099676 1 727 1 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 0 5.1207166 -4.7978873 -4.752898 1 728 1 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 0 5.2094917 -3.7394304 -5.64256 1 729 1 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 0 5.8156977 -5.971321 -5.053349 1 730 1 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 0 5.9749312 -3.8278394 -6.7995815 1 731 1 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 0 6.582503 -6.065649 -6.202341 1 732 1 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 0 6.6611137 -4.991238 -7.061311 1 733 1 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 0 7.4224105 -5.084201 -8.211782 1 734 1 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 0 7.324768 -5.2657933 -2.4109564 1 735 1 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 0 8.429635 -6.203178 -2.2079358 1 736 1 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 0 8.823002 -6.2743874 -0.74380684 1 737 1 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 0 9.105513 -7.3523903 -0.21711668 1 738 1 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 0 9.6403885 -5.8109584 -3.0422509 1 739 1 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 0 9.770142 -6.593125 -4.339389 1 740 1 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 0 9.81608 -8.098024 -4.103187 1 741 1 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 0 10.357854 -8.605127 -3.1153705 1 742 1 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 0 9.221387 -8.852343 -5.0120664 1 743 1 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 0 8.846371 -5.120356 -0.09023696 1 744 1 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 0 9.152324 -5.0339537 1.3366251 1 745 1 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 0 8.181986 -5.898532 2.1392117 1 746 1 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 0 8.586918 -6.6788073 3.002244 1 747 1 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 0 9.072439 -3.5802886 1.801249 1 748 1 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 0 9.175644 -3.3972075 3.289129 1 749 1 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 0 8.051914 -3.115547 4.045288 1 750 1 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 0 10.399019 -3.4817982 3.933508 1 751 1 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 0 8.140805 -2.9342637 5.416832 1 752 1 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 0 10.498567 -3.299189 5.3006144 1 753 1 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 0 9.366625 -3.0265641 6.0521264 1 754 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 6.895422 -5.7847066 1.8272359 1 755 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 5.8611736 -6.53411 2.5275936 1 756 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 5.9422865 -8.029493 2.2327616 1 757 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 5.863583 -8.851882 3.1469154 1 758 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 4.472567 -6.001318 2.1569164 1 759 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 4.204901 -4.537361 2.529836 1 760 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 2.8338172 -4.1136575 2.0052466 1 761 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 4.2901406 -4.3545485 4.037007 1 762 1 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 0 6.1086226 -8.371706 0.9572093 1 763 1 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 0 6.214411 -9.775123 0.56799984 1 764 1 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 0 7.42785 -10.4212885 1.2279966 1 765 1 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 0 7.3463516 -11.549633 1.7233723 1 766 1 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 0 6.3124256 -9.90011 -0.95597535 1 767 1 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 0 6.3914204 -11.321122 -1.5118921 1 768 1 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 0 6.475511 -11.280586 -3.036537 1 769 1 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 0 5.1935034 -12.152788 -1.0654988 1 770 1 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 0 8.548967 -9.702125 1.2504854 1 771 1 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 0 9.760628 -10.20025 1.8936636 1 772 1 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 0 9.51575 -10.490496 3.3673563 1 773 1 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 0 9.963638 -11.515362 3.8812659 1 774 1 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 0 10.905463 -9.188293 1.7473613 1 775 1 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 0 11.437151 -9.090071 0.32362026 1 776 1 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 0 11.009722 -9.894138 -0.53716016 1 777 1 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 0 12.280023 -8.207822 0.052104194 1 778 1 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 0 8.813778 -9.595507 4.0415497 1 779 1 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 0 8.4890375 -9.785724 5.4512997 1 780 1 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 0 7.66856 -11.053062 5.662159 1 781 1 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 0 7.956985 -11.85338 6.5583534 1 782 1 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 0 7.7068214 -8.591307 6.0039134 1 783 1 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 0 8.467175 -7.3411665 6.427698 1 784 1 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 0 7.5693064 -6.5067205 7.3307467 1 785 1 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 0 9.745252 -7.7043715 7.1627545 1 786 1 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 0 6.639442 -11.207663 4.8382463 1 787 1 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 0 5.7527447 -12.355697 4.96088 1 788 1 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 0 6.483864 -13.67601 4.7200336 1 789 1 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 0 6.214252 -14.669686 5.391813 1 790 1 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 0 4.5742207 -12.217605 3.995685 1 791 1 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 0 3.4817555 -11.24233 4.452175 1 792 1 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 0 2.619077 -10.812471 3.2840552 1 793 1 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 0 2.6394706 -11.865234 5.551722 1 794 1 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 0 7.416012 -13.670315 3.7757633 1 795 1 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 0 8.160776 -14.877601 3.4567804 1 796 1 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 0 9.305837 -15.13362 4.438181 1 797 1 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 0 9.71782 -16.277988 4.620735 1 798 1 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 0 8.686766 -14.81253 2.011197 1 799 1 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 0 7.569873 -14.954241 0.9895895 1 800 1 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 0 8.073786 -14.901005 -0.4477315 1 801 1 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 0 6.9796224 -15.179458 -1.3768587 1 802 1 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 0 7.0762157 -15.15756 -2.7092087 1 803 1 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 0 8.2454815 -14.857479 -3.2697868 1 804 1 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 0 6.024628 -15.42338 -3.4652958 1 805 1 +ATOM N N . SER C0 3 18 . 18 SER C0 N 0 9.808958 -14.082042 5.0445724 1 806 1 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 0 10.863779 -14.205877 6.0541143 1 807 1 +ATOM C C . SER C0 3 18 . 18 SER C0 C 0 10.285395 -14.707685 7.3682175 1 808 1 +ATOM O O . SER C0 3 18 . 18 SER C0 O 0 10.845389 -15.6011715 8.007099 1 809 1 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 0 11.547428 -12.861919 6.2900906 1 810 1 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 0 11.898634 -12.24731 5.0845575 1 811 1 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 0 9.190981 -14.122484 7.76359 1 812 1 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 0 8.520231 -14.507563 8.994659 1 813 1 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 0 8.64747 -13.50011 10.121596 1 814 1 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 0 8.054203 -13.68538 11.188654 1 815 1 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 0 9.417118 -12.432587 9.938358 1 816 1 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 0 9.544598 -11.411944 10.974719 1 817 1 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 0 8.310893 -10.519251 10.985649 1 818 1 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 0 7.576069 -10.46644 9.99229 1 819 1 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 0 10.801754 -10.578596 10.75369 1 820 1 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 0 11.256909 -9.864876 12.008769 1 821 1 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 0 10.736288 -10.175274 13.110589 1 822 1 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 0 12.144524 -8.993372 11.918322 1 823 1 +ATOM N N . MET C0 3 21 . 21 MET C0 N 0 8.088846 -9.846397 12.083328 1 824 1 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 0 6.9442034 -8.955957 12.272894 1 825 1 +ATOM C C . MET C0 3 21 . 21 MET C0 C 0 5.6113825 -9.688155 12.146486 1 826 1 +ATOM O O . MET C0 3 21 . 21 MET C0 O 0 4.646434 -9.143913 11.608307 1 827 1 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 0 6.997357 -7.782363 11.284321 1 828 1 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 0 8.324963 -7.0493255 11.271023 1 829 1 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 0 8.178101 -5.322008 10.757856 1 830 1 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 0 7.512661 -4.588127 12.25057 1 831 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 5.5509267 -10.922344 12.666607 1 832 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 4.3025017 -11.690716 12.647779 1 833 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 3.2552423 -11.038424 13.544524 1 834 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 2.0687075 -11.32254 13.422098 1 835 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 4.550207 -13.1357975 13.100817 1 836 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 5.3745413 -13.95351 12.129746 1 837 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 5.3904333 -15.421165 12.560302 1 838 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 6.469261 -16.217566 11.843899 1 839 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 6.146371 -16.434258 10.392115 1 840 1 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 0 3.7254186 -10.176491 14.448685 1 841 1 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 0 2.8129637 -9.416063 15.293394 1 842 1 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 0 2.1029944 -8.3391905 14.482628 1 843 1 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 0 1.0313971 -7.879058 14.858061 1 844 1 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 0 3.5725093 -8.751336 16.449116 1 845 1 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 0 4.105654 -9.747533 17.457283 1 846 1 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 0 3.3038263 -10.56485 17.964352 1 847 1 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 0 5.316253 -9.71756 17.74355 1 848 1 +ATOM N N . SER C0 3 24 . 24 SER C0 N 0 2.7364292 -7.947898 13.379032 1 849 1 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 0 2.2458773 -6.8399324 12.5617 1 850 1 +ATOM C C . SER C0 3 24 . 24 SER C0 C 0 1.5390087 -7.26105 11.273839 1 851 1 +ATOM O O . SER C0 3 24 . 24 SER C0 O 0 0.5790789 -6.607306 10.85774 1 852 1 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 0 3.4037871 -5.9039774 12.196266 1 853 1 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 0 4.122562 -5.496339 13.355888 1 854 1 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 0 2.0102766 -8.336386 10.6465435 1 855 1 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 0 1.4709768 -8.773804 9.36565 1 856 1 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 0 1.5827515 -10.2902155 9.215862 1 857 1 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 0 2.5591667 -10.895456 9.672384 1 858 1 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 0 2.182309 -8.056698 8.193471 1 859 1 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 0 1.5014889 -8.35644 6.8583746 1 860 1 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 0 3.660644 -8.439434 8.142567 1 861 1 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 0 2.0522072 -7.5288925 5.689956 1 862 1 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 0 0.60255265 -10.905594 8.586861 1 863 1 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 0 0.58247674 -12.367031 8.413697 1 864 1 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 0 -0.24929065 -12.760817 7.2023554 1 865 1 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 0 -1.0624806 -11.978869 6.696848 1 866 1 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 0 -0.012739049 -13.048958 9.649094 1 867 1 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 0 -1.3426766 -12.474098 10.055815 1 868 1 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 0 -2.5646896 -12.762111 9.544587 1 869 1 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 0 -1.570591 -11.461938 11.043411 1 870 1 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 0 -3.5387268 -12.007374 10.155615 1 871 1 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 0 -2.9450111 -11.194355 11.08141 1 872 1 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 0 -0.728572 -10.760841 11.91008 1 873 1 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 0 -3.515574 -10.273596 11.936455 1 874 1 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 0 -1.2872155 -9.840075 12.765845 1 875 1 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 0 -2.6675167 -9.593977 12.780439 1 876 1 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 0 -0.038193632 -14.004999 6.7369623 1 877 1 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 0 -0.8393036 -14.54016 5.6506166 1 878 1 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 0 -2.222353 -14.919901 6.1728487 1 879 1 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 0 -2.3351278 -15.582146 7.2118106 1 880 1 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 0 -0.18522209 -15.788544 5.053251 1 881 1 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 0 1.0805211 -15.573052 4.2818103 1 882 1 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 0 2.322991 -16.028397 4.606825 1 883 1 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 0 1.2277824 -14.877743 3.032481 1 884 1 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 0 3.2363398 -15.65444 3.6508446 1 885 1 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 0 2.5945375 -14.947046 2.6715593 1 886 1 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 0 0.33316588 -14.197051 2.1849742 1 887 1 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 0 3.0872881 -14.369562 1.4975461 1 888 1 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 0 0.83398485 -13.626091 1.0207412 1 889 1 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 0 2.1952784 -13.705296 0.69299155 1 890 1 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 0 -3.2519102 -14.53489 5.4271812 1 891 1 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 0 -4.6158695 -14.949413 5.737967 1 892 1 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 0 -4.9230328 -16.180565 4.891102 1 893 1 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 0 -5.518658 -17.142185 5.3602877 1 894 1 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 0 -5.634272 -13.828313 5.4315114 1 895 1 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 0 -7.05836 -14.374619 5.5042195 1 896 1 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 0 -5.454899 -12.681263 6.4219036 1 897 1 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 0 -4.463238 -16.132257 3.6402488 1 898 1 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 0 -4.570574 -17.249804 2.7062988 1 899 1 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 0 -3.3142576 -17.21565 1.8472047 1 900 1 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 0 -3.2581522 -16.490816 0.85149384 1 901 1 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 0 -5.8304453 -17.108093 1.8441602 1 902 1 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 0 -6.0784807 -18.318838 0.95610917 1 903 1 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 0 -5.1132765 -19.04501 0.6359074 1 904 1 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 0 -7.247742 -18.546543 0.5604069 1 905 1 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 0 -2.3174386 -17.996853 2.254549 1 906 1 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 0 -1.0125872 -17.981651 1.6197484 1 907 1 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 0 -1.0585907 -18.320107 0.13555211 1 908 1 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 0 -0.4217718 -17.659065 -0.6815815 1 909 1 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 0 -0.069600195 -18.935467 2.3516076 1 910 1 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 0 1.37187 -18.862587 1.9150822 1 911 1 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 0 2.2167645 -19.77794 2.787459 1 912 1 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 0 3.6792016 -19.756504 2.3671799 1 913 1 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 0 4.4877806 -20.643276 3.2259083 1 914 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 -1.8154935 -19.34164 -0.20639616 1 915 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 -1.9252727 -19.782745 -1.5882428 1 916 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 -2.5698953 -18.726925 -2.483233 1 917 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 -2.2575495 -18.64165 -3.6658263 1 918 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 -2.714293 -21.092146 -1.6789634 1 919 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 -2.033813 -22.235687 -0.96100014 1 920 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 -0.8325373 -22.483511 -1.2214323 1 921 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 -2.6917286 -22.882942 -0.11905797 1 922 1 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 0 -3.4656327 -17.937706 -1.9151859 1 923 1 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 0 -4.1500697 -16.902233 -2.6635423 1 924 1 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 0 -3.418061 -15.558218 -2.596004 1 925 1 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 0 -3.7531657 -14.620722 -3.3308272 1 926 1 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 0 -5.587739 -16.743153 -2.1656127 1 927 1 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 0 -6.483057 -15.975477 -3.1309247 1 928 1 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 0 -7.961445 -16.22745 -2.8543816 1 929 1 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 0 -8.837085 -15.657316 -3.960553 1 930 1 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 0 -8.425146 -16.17559 -5.2992916 1 931 1 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 0 -2.430031 -15.4534645 -1.7226665 1 932 1 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 0 -1.6716284 -14.219927 -1.5723431 1 933 1 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 0 -2.3682294 -13.17697 -0.7218411 1 934 1 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 0 -2.0672877 -11.986637 -0.829926 1 935 1 +ATOM N N . THR C0 3 34 . 34 THR C0 N 0 -3.2858143 -13.617581 0.11626766 1 936 1 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 0 -4.049123 -12.70363 0.95797354 1 937 1 +ATOM C C . THR C0 3 34 . 34 THR C0 C 0 -3.3570943 -12.526175 2.3035178 1 938 1 +ATOM O O . THR C0 3 34 . 34 THR C0 O 0 -3.0254803 -13.505268 2.9705038 1 939 1 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 0 -5.4830656 -13.215956 1.1810598 1 940 1 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 0 -6.082767 -13.50214 -0.08441955 1 941 1 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 0 -6.3144903 -12.170986 1.91033 1 942 1 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 0 -3.115646 -11.270533 2.6846662 1 943 1 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 0 -2.437754 -10.969342 3.9436183 1 944 1 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 0 -3.174841 -9.889196 4.718135 1 945 1 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 0 -4.020089 -9.183572 4.179201 1 946 1 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 0 -0.98523563 -10.544947 3.6919162 1 947 1 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 0 -0.8450382 -9.313656 2.820886 1 948 1 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 0 -0.9441772 -9.404951 1.4382355 1 949 1 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 0 -0.60652685 -8.067953 3.3878489 1 950 1 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 0 -0.81091833 -8.265135 0.64235735 1 951 1 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 0 -0.4664752 -6.935278 2.5996888 1 952 1 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 0 -0.57219744 -7.0351696 1.2253199 1 953 1 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 0 -2.8585038 -9.789108 6.004825 1 954 1 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 0 -3.5697525 -8.853545 6.8698716 1 955 1 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 0 -2.6521242 -8.192721 7.89261 1 956 1 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 0 -1.7038097 -8.804314 8.385438 1 957 1 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 0 -4.691107 -9.5864725 7.5921764 1 958 1 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 0 -5.573185 -8.709819 8.464775 1 959 1 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 0 -6.7812624 -9.450313 9.011442 1 960 1 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 0 -7.923066 -9.212753 8.615063 1 961 1 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 0 -6.5230427 -10.377679 9.921636 1 962 1 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 0 -2.9212427 -6.9207954 8.187353 1 963 1 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 0 -2.172623 -6.1716313 9.188455 1 964 1 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 0 -2.8546987 -6.2663755 10.5492 1 965 1 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 0 -4.0764933 -6.3813286 10.627031 1 966 1 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 0 -2.0643857 -4.6899815 8.804243 1 967 1 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 0 -1.2631836 -4.427633 7.5606737 1 968 1 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 0 -1.8968358 -4.1240807 6.3640985 1 969 1 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 0 0.12223299 -4.4783163 7.5960016 1 970 1 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 0 -1.1622403 -3.8795145 5.2086234 1 971 1 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 0 0.8664678 -4.231782 6.4471884 1 972 1 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 0 0.22653396 -3.9330761 5.253739 1 973 1 +ATOM N N . SER C0 3 38 . 38 SER C0 N 0 -2.0639486 -6.1978846 11.605816 1 974 1 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 0 -2.5991395 -6.1723795 12.966394 1 975 1 +ATOM C C . SER C0 3 38 . 38 SER C0 C 0 -3.0604386 -4.75272 13.301621 1 976 1 +ATOM O O . SER C0 3 38 . 38 SER C0 O 0 -2.3953798 -3.7816803 12.937841 1 977 1 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 0 -1.5336144 -6.610442 13.963641 1 978 1 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 0 -1.8729596 -6.218767 15.27676 1 979 1 +ATOM N N . SER C0 3 39 . 39 SER C0 N 0 -4.160502 -4.628837 14.003997 1 980 1 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 0 -4.649524 -3.3168626 14.429234 1 981 1 +ATOM C C . SER C0 3 39 . 39 SER C0 C 0 -3.6508996 -2.6434941 15.3668785 1 982 1 +ATOM O O . SER C0 3 39 . 39 SER C0 O 0 -3.3318462 -1.4653498 15.202891 1 983 1 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 0 -5.9992704 -3.45162 15.138136 1 984 1 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 0 -7.0330906 -3.7733312 14.214294 1 985 1 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 0 -3.1386914 -3.4033833 16.331167 1 986 1 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 0 -2.262692 -2.8580785 17.366184 1 987 1 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 0 -0.80763483 -2.680853 16.945934 1 988 1 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 0 -0.110143825 -1.8430443 17.520441 1 989 1 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 0 -2.3283603 -3.7280297 18.624096 1 990 1 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 0 -3.6732326 -3.6774325 19.3364 1 991 1 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 0 -3.6250238 -4.423987 20.656717 1 992 1 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 0 -4.9533625 -4.3026657 21.39368 1 993 1 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 0 -4.9280634 -4.9999313 22.710144 1 994 1 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 0 -0.33640587 -3.4468627 15.984932 1 995 1 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 0 1.0838028 -3.4174898 15.652754 1 996 1 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 0 1.4243255 -2.97445 14.227722 1 997 1 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 0 2.5667067 -3.0883505 13.804443 1 998 1 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 0 1.7011424 -4.797592 15.924067 1 999 1 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 0 1.3795326 -5.326364 17.289349 1 1000 1 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 0 1.9624653 -4.8211336 18.428745 1 1001 1 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 0 0.5268687 -6.288169 17.7108 1 1002 1 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 0 1.4697843 -5.4561777 19.492935 1 1003 1 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 0 0.5899688 -6.359001 19.067575 1 1004 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 0.44230732 -2.4558752 13.5041275 1 1005 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 0.6746551 -2.0138512 12.132463 1 1006 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 1.5919816 -0.80132854 12.039965 1 1007 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 2.3316436 -0.6538901 11.066738 1 1008 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 -0.65220666 -1.7202349 11.431839 1 1009 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 -1.4971173 -0.6561905 12.092302 1 1010 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 -2.8290439 -0.52856565 11.365099 1 1011 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 -3.7181387 0.566911 11.9460335 1 1012 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 -4.2065487 0.22779246 13.280123 1 1013 1 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 0 1.5684199 0.06240464 13.036673 1 1014 1 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 0 2.411884 1.2482166 13.030914 1 1015 1 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 0 3.9008608 0.9110758 13.110399 1 1016 1 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 0 4.7228503 1.6025708 12.501494 1 1017 1 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 0 2.0320306 2.1938696 14.180086 1 1018 1 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 0 0.6135867 2.7661748 14.093981 1 1019 1 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 0 0.39871377 3.6805658 12.892138 1 1020 1 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 0 -0.7730323 4.0224237 12.61358 1 1021 1 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 0 1.397916 4.0449305 12.226548 1 1022 1 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 0 4.2360215 -0.13918656 13.843788 1 1023 1 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 0 5.6291723 -0.5708112 13.951298 1 1024 1 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 0 6.1761913 -0.9610405 12.573317 1 1025 1 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 0 7.290675 -0.59275913 12.201508 1 1026 1 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 0 5.750829 -1.7440338 14.914583 1 1027 1 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 0 5.371565 -1.690949 11.82243 1 1028 1 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 0 5.765583 -2.1003957 10.480212 1 1029 1 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 0 5.894333 -0.8991232 9.550113 1 1030 1 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 0 6.848425 -0.7971147 8.788403 1 1031 1 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 0 4.7522726 -3.1062493 9.91858 1 1032 1 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 0 5.1182685 -3.7822337 8.591923 1 1033 1 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 0 4.4971943 -5.170014 8.524588 1 1034 1 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 0 4.699619 -2.9470096 7.393462 1 1035 1 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 0 4.929875 0.0077997535 9.635863 1 1036 1 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 0 4.9446173 1.201966 8.804508 1 1037 1 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 0 6.1845584 2.0467415 9.095499 1 1038 1 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 0 6.8223243 2.5658941 8.179356 1 1039 1 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 0 3.6804132 2.026332 9.034042 1 1040 1 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 0 6.5214725 2.1652594 10.356341 1 1041 1 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 0 7.6993484 2.9326465 10.75768 1 1042 1 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 0 8.977052 2.3093066 10.191543 1 1043 1 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 0 9.850108 3.020063 9.69815 1 1044 1 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 0 7.777022 3.0232525 12.289055 1 1045 1 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 0 8.819532 3.9939876 12.763537 1 1046 1 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 0 9.302517 3.9934444 14.064531 1 1047 1 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 0 9.47373 4.9915075 12.131832 1 1048 1 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 0 10.1998825 4.955819 14.199562 1 1049 1 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 0 10.335705 5.5739136 13.039049 1 1050 1 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 0 9.072262 0.99192864 10.23208 1 1051 1 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 0 10.2272 0.3112622 9.672424 1 1052 1 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 0 10.333759 0.5899854 8.175748 1 1053 1 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 0 11.425093 0.78204703 7.646618 1 1054 1 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 0 10.14399 -1.1973836 9.913262 1 1055 1 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 0 11.218021 -1.9749212 9.163596 1 1056 1 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 0 11.083451 -3.4566684 9.345247 1 1057 1 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 0 11.865665 -3.9590902 10.459671 1 1058 1 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 0 11.886185 -5.228676 10.840517 1 1059 1 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 0 12.641693 -5.586616 11.866647 1 1060 1 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 0 11.182436 -6.1317167 10.190724 1 1061 1 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 0 9.193495 0.60674095 7.502837 1 1062 1 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 0 9.166231 0.9173491 6.0767775 1 1063 1 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 0 9.762976 2.3093774 5.847666 1 1064 1 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 0 10.569253 2.496664 4.935935 1 1065 1 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 0 7.734666 0.84969676 5.542145 1 1066 1 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 0 7.538355 1.3557715 4.138477 1 1067 1 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 0 6.6395636 2.2976604 3.7243404 1 1068 1 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 0 8.2493305 0.95664 2.9602509 1 1069 1 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 0 6.7372046 2.501584 2.376889 1 1070 1 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 0 7.721792 1.6894524 1.8721836 1 1071 1 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 0 9.282766 0.048734147 2.7105324 1 1072 1 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 0 8.195187 1.5452935 0.5615139 1 1073 1 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 0 9.751939 -0.09948486 1.4041883 1 1074 1 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 0 9.200076 0.65087205 0.35432005 1 1075 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 9.37491 3.267561 6.667628 1 1076 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 9.895898 4.6207404 6.5493135 1 1077 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 11.394517 4.693563 6.775379 1 1078 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 12.1028385 5.4001455 6.0601883 1 1079 1 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 0 11.882267 3.9763074 7.7754745 1 1080 1 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 0 13.310728 3.9463027 8.081413 1 1081 1 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 0 14.084734 3.4109983 6.8800535 1 1082 1 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 0 15.092022 3.981141 6.472123 1 1083 1 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 0 13.592489 3.0642133 9.317449 1 1084 1 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 0 12.92165 3.6568024 10.556568 1 1085 1 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 0 15.102748 2.9389129 9.532152 1 1086 1 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 0 12.935287 2.7229662 11.76049 1 1087 1 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 0 13.587696 2.3275723 6.317951 1 1088 1 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 0 14.231768 1.7006369 5.1726294 1 1089 1 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 0 14.303864 2.6346135 3.9612613 1 1090 1 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 0 15.326502 2.6986144 3.2830038 1 1091 1 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 0 13.496219 0.41974086 4.794131 1 1092 1 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 0 14.118671 -0.30467474 3.6110575 1 1093 1 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 0 13.748489 -1.7737359 3.5778387 1 1094 1 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 0 13.316212 -2.34532 4.585559 1 1095 1 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 0 13.917183 -2.3982635 2.4248261 1 1096 1 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 0 13.21472 3.3312423 3.6926963 1 1097 1 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 0 13.165546 4.2554407 2.5582795 1 1098 1 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 0 13.958865 5.5520244 2.8143754 1 1099 1 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 0 14.235035 6.301305 1.868156 1 1100 1 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 0 11.722687 4.599556 2.2192469 1 1101 1 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 0 10.938736 3.4731894 1.5407772 1 1102 1 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 0 11.398135 3.2276354 0.101216346 1 1103 1 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 0 11.162828 4.415677 -0.8394114 1 1104 1 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 0 9.831579 4.3446636 -1.443476 1 1105 1 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 0 14.321837 5.799965 4.044739 1 1106 1 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 0 15.048399 7.0197053 4.393441 1 1107 1 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 0 14.199298 8.272156 4.275688 1 1108 1 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 0 14.715304 9.3314 3.9212785 1 1109 1 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 0 12.9126 8.135742 4.5576844 1 1110 1 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 0 11.995806 9.271939 4.4998507 1 1111 1 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 0 12.378974 10.304033 5.5496936 1 1112 1 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 0 12.903501 9.948636 6.604817 1 1113 1 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 0 10.546266 8.815922 4.7375317 1 1114 1 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 0 10.039898 7.889464 3.644286 1 1115 1 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 0 9.084365 7.133053 3.8463874 1 1116 1 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 0 10.662762 7.9436007 2.4669998 1 1117 1 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 0 12.133585 11.585235 5.2347994 1 1118 1 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 0 12.486296 12.633678 6.207984 1 1119 1 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 0 11.5061455 12.669075 7.3722615 1 1120 1 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 0 11.889513 12.938604 8.505894 1 1121 1 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 0 12.616648 13.999316 5.515992 1 1122 1 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 0 11.370245 14.84239 5.474254 1 1123 1 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 0 11.728511 16.271317 4.940649 1 1124 1 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 0 13.023567 16.77599 5.4232764 1 1125 1 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 0 13.19096 17.698713 6.3892665 1 1126 1 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 0 14.3946705 18.066166 6.7798634 1 1127 1 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 0 12.131041 18.235106 6.9749327 1 1128 1 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 0 10.245659 12.392783 7.0901823 1 1129 1 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 0 9.222476 12.33758 8.138685 1 1130 1 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 0 8.915472 10.896961 8.514823 1 1131 1 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 0 9.26409 9.961299 7.7924905 1 1132 1 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 0 7.9426813 13.043017 7.689947 1 1133 1 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 0 8.100266 14.544847 7.4900627 1 1134 1 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 0 6.732744 15.248249 7.4289494 1 1135 1 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 0 6.132515 15.384394 8.810104 1 1136 1 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 0 4.9663544 16.31946 8.831789 1 1137 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 8.24575 10.711946 9.6289215 1 1138 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 7.8951383 9.386734 10.115271 1 1139 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 6.7754536 8.77287 9.280146 1 1140 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 5.797897 9.458449 8.950343 1 1141 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 7.4715266 9.450111 11.582796 1 1142 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 7.2612677 8.087742 12.213491 1 1143 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 6.7650175 8.221039 13.655775 1 1144 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 6.418663 6.8614306 14.241854 1 1145 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 5.8416233 6.9654465 15.608924 1 1146 1 +ATOM N N . MET C0 3 59 . 59 MET C0 N 0 6.9351797 7.494742 8.936494 1 1147 1 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 0 5.922794 6.7815795 8.163832 1 1148 1 +ATOM C C . MET C0 3 59 . 59 MET C0 C 0 4.8551474 6.2378283 9.099445 1 1149 1 +ATOM O O . MET C0 3 59 . 59 MET C0 O 0 5.165365 5.7141724 10.165066 1 1150 1 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 0 6.568201 5.636874 7.3706036 1 1151 1 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 0 5.5784116 4.7813196 6.565651 1 1152 1 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 0 4.6416206 5.686872 5.311476 1 1153 1 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 0 5.9674826 6.2381144 4.2214394 1 1154 1 +ATOM N N . THR C0 3 60 . 60 THR C0 N 0 3.5954237 6.3821087 8.700451 1 1155 1 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 0 2.466912 5.880082 9.471455 1 1156 1 +ATOM C C . THR C0 3 60 . 60 THR C0 C 0 1.7320665 4.836585 8.639719 1 1157 1 +ATOM O O . THR C0 3 60 . 60 THR C0 O 0 1.8984859 4.7687716 7.4216566 1 1158 1 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 0 1.472233 7.000081 9.830919 1 1159 1 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 0 0.92238426 7.526677 8.618142 1 1160 1 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 0 2.163212 8.116285 10.608791 1 1161 1 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 0 0.90449125 4.0284905 9.290609 1 1162 1 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 0 0.1235132 3.0479183 8.55125 1 1163 1 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 0 -0.8000068 3.7373946 7.5469007 1 1164 1 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 0 -0.9911306 3.2668967 6.425559 1 1165 1 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 0 -0.7073218 2.1503634 9.479595 1 1166 1 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 0 -1.6196051 1.2391737 8.68769 1 1167 1 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 0 -2.9752047 1.5365984 8.534236 1 1168 1 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 0 -1.1183717 0.11354786 8.04843 1 1169 1 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 0 -3.8062224 0.72791874 7.764494 1 1170 1 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 0 -1.9409382 -0.7006941 7.27633 1 1171 1 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 0 -3.276217 -0.3849176 7.1397533 1 1172 1 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 0 -4.0902357 -1.1822989 6.3760552 1 1173 1 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 0 -1.3577709 4.873092 7.948642 1 1174 1 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 0 -2.267061 5.6151667 7.090773 1 1175 1 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 0 -1.607931 5.967992 5.754321 1 1176 1 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 0 -2.2059531 5.787984 4.6911364 1 1177 1 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 0 -2.7437632 6.879679 7.787995 1 1178 1 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 0 -3.917439 7.5552945 7.080144 1 1179 1 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 0 -4.483232 8.719467 7.8615556 1 1180 1 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 0 -3.9440055 9.82792 7.8207684 1 1181 1 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 0 -5.561879 8.4746895 8.59813 1 1182 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 -0.37232974 6.4851418 5.80927 1 1183 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 0.35262752 6.832698 4.594859 1 1184 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 0.77281004 5.596511 3.8076115 1 1185 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 0.7749375 5.6140814 2.5743496 1 1186 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 1.5650357 7.710759 4.919051 1 1187 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 1.1952549 9.15168 5.271901 1 1188 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 2.4272223 10.053284 5.384407 1 1189 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 3.2784445 9.70067 6.6055984 1 1190 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 4.432444 10.600365 6.721343 1 1191 1 +ATOM N N . MET C0 3 64 . 64 MET C0 N 0 1.1398942 4.536375 4.501402 1 1192 1 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 0 1.5206269 3.3010826 3.8299994 1 1193 1 +ATOM C C . MET C0 3 64 . 64 MET C0 C 0 0.30928352 2.7240646 3.091384 1 1194 1 +ATOM O O . MET C0 3 64 . 64 MET C0 O 0 0.4284354 2.2536154 1.9631308 1 1195 1 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 0 2.0710995 2.275181 4.8196793 1 1196 1 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 0 2.7390623 1.0859001 4.12277 1 1197 1 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 0 3.5575924 -0.05366651 5.2682586 1 1198 1 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 0 2.139629 -0.76475424 6.090052 1 1199 1 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 0 -0.84808993 2.7972665 3.7359052 1 1200 1 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 0 -2.0883906 2.326932 3.1215887 1 1201 1 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 0 -2.4425864 3.172134 1.9077597 1 1202 1 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 0 -2.9509537 2.6537476 0.911116 1 1203 1 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 0 -3.2283204 2.3546896 4.1319733 1 1204 1 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 0 -2.1851792 4.484146 1.9847302 1 1205 1 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 0 -2.4041324 5.3797555 0.85825264 1 1206 1 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 0 -1.5776056 4.9055705 -0.35219216 1 1207 1 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 0 -2.110512 4.8464503 -1.4767275 1 1208 1 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 0 -2.0402136 6.82574 1.2544045 1 1209 1 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 0 -1.9965448 7.8566957 0.10560757 1 1210 1 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 0 -3.384161 8.370037 -0.29659998 1 1211 1 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 0 -3.8469744 7.628899 -1.4634615 1 1212 1 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 0 -3.9408455 8.115263 -2.6772184 1 1213 1 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 0 -4.3274775 7.3321176 -3.665717 1 1214 1 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 0 -3.6223004 9.394592 -2.9253507 1 1215 1 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 0 -0.33996752 4.5678587 -0.11417006 1 1216 1 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 0 0.5353506 4.0699987 -1.171987 1 1217 1 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 0 0.0650429 2.696862 -1.6545411 1 1218 1 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 0 0.055414885 2.4155326 -2.8580303 1 1219 1 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 0 1.9735979 3.9855182 -0.670161 1 1220 1 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 0 -0.3311212 1.8662722 -0.6935715 1 1221 1 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 0 -0.8198847 0.52300453 -0.98664135 1 1222 1 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 0 -2.0456233 0.56838185 -1.8858546 1 1223 1 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 0 -2.1787095 -0.22358477 -2.8182917 1 1224 1 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 0 -1.1553817 -0.17152709 0.33267972 1 1225 1 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 0 -0.7447873 -1.6155534 0.60314465 1 1226 1 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 0 -0.70363045 -1.8179891 2.1155925 1 1227 1 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 0 0.5692967 -1.9714384 -0.03721621 1 1228 1 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 0 -2.9322252 1.5348045 -1.6133084 1 1229 1 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 0 -4.1507654 1.6816506 -2.412405 1 1230 1 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 0 -3.8505929 1.9471443 -3.8817394 1 1231 1 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 0 -4.5885735 1.5048087 -4.762221 1 1232 1 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 0 -5.0266247 2.8072896 -1.8638132 1 1233 1 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 0 -6.0884037 2.3573353 -0.894096 1 1234 1 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 0 -7.128403 3.448328 -0.62816155 1 1235 1 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 0 -6.5967655 4.7543125 -0.26461697 1 1236 1 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 0 -6.1979675 5.100956 0.95580804 1 1237 1 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 0 -6.244357 4.2375355 1.9517884 1 1238 1 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 0 -5.747835 6.331582 1.1738572 1 1239 1 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 0 -2.7616165 2.66713 -4.142019 1 1240 1 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 0 -2.3851933 2.9767897 -5.518079 1 1241 1 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 0 -2.0243838 1.7203276 -6.315096 1 1242 1 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 0 -2.113725 1.7175306 -7.545326 1 1243 1 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 0 -1.210665 3.9718647 -5.5503974 1 1244 1 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 0 -1.6361996 5.3783283 -5.147071 1 1245 1 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 0 -0.8030245 6.2012334 -4.7520123 1 1246 1 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 0 -2.9249578 5.6613264 -5.2494125 1 1247 1 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 0 -1.6189128 0.6656679 -5.6189566 1 1248 1 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 0 -1.3154473 -0.5978777 -6.2794504 1 1249 1 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 0 -2.5709252 -1.233748 -6.8770237 1 1250 1 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 0 -2.4767604 -2.109989 -7.7373743 1 1251 1 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 0 -0.6556519 -1.5778533 -5.3123217 1 1252 1 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 0 0.7929487 -1.2980764 -5.014059 1 1253 1 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 0 1.2817166 -1.385976 -3.714997 1 1254 1 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 0 1.6982448 -0.9966847 -6.029868 1 1255 1 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 0 2.6198177 -1.1600282 -3.4339657 1 1256 1 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 0 3.0355322 -0.7618539 -5.7569637 1 1257 1 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 0 3.486561 -0.85369027 -4.4591227 1 1258 1 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 0 4.8071938 -0.6375563 -4.1802735 1 1259 1 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 0 -3.725326 -0.7878823 -6.421629 1 1260 1 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 0 -4.982609 -1.2846205 -6.9646096 1 1261 1 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 0 -5.1803102 -0.8336797 -8.399512 1 1262 1 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 0 -5.795562 -1.5365157 -9.204697 1 1263 1 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 0 -4.6333027 0.34663776 -8.715366 1 1264 1 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 0 -4.725163 0.88902533 -10.071788 1 1265 1 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 0 -3.7066739 0.23087488 -11.005339 1 1266 1 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 0 -3.9446254 0.1520671 -12.212549 1 1267 1 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 0 -4.499251 2.4011195 -10.0556345 1 1268 1 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 0 -5.3946004 3.163055 -9.089657 1 1269 1 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 0 -6.7112823 3.5501075 -9.727928 1 1270 1 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 0 -6.536896 4.5364456 -10.867651 1 1271 1 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 0 -7.8218756 5.1213055 -11.3103 1 1272 1 +ATOM N N . THR C0 3 74 . 74 THR C0 N 0 -2.5798197 -0.21021828 -10.451331 1 1273 1 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 0 -1.5003984 -0.8041836 -11.244698 1 1274 1 +ATOM C C . THR C0 3 74 . 74 THR C0 C 0 -1.4232043 -2.3239412 -11.114767 1 1275 1 +ATOM O O . THR C0 3 74 . 74 THR C0 O 0 -0.65064394 -2.9657466 -11.826288 1 1276 1 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 0 -0.13983858 -0.19164397 -10.860321 1 1277 1 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 0 0.06739828 -0.3260626 -9.457129 1 1278 1 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 0 -0.10259091 1.2951528 -11.227429 1 1279 1 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 0 -2.2220092 -2.8968174 -10.219768 1 1280 1 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 0 -2.400494 -4.3328857 -10.149923 1 1281 1 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 0 -1.4501121 -5.1664767 -9.304614 1 1282 1 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 0 -1.567233 -6.3962207 -9.296958 1 1283 1 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 0 -0.5119384 -4.5555468 -8.584686 1 1284 1 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 0 0.42392468 -5.3301415 -7.7664614 1 1285 1 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 0 -0.23900047 -5.858343 -6.499276 1 1286 1 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 0 0.045824468 -6.986861 -6.064081 1 1287 1 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 0 1.6586773 -4.489237 -7.394356 1 1288 1 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 0 2.527203 -4.091083 -8.599329 1 1289 1 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 0 2.1791997 -2.7127862 -9.1165085 1 1290 1 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 0 1.0011709 -2.2809083 -8.972376 1 1291 1 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 0 3.0661712 -2.0402043 -9.662111 1 1292 1 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 0 -1.0814137 -5.0635433 -5.896828 1 1293 1 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 0 -1.811779 -5.4146166 -4.680629 1 1294 1 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 0 -3.2229972 -4.849896 -4.7799816 1 1295 1 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 0 -3.4158967 -3.7487767 -5.291704 1 1296 1 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 0 -1.1306691 -4.8369355 -3.4135523 1 1297 1 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 0 -1.9423243 -5.175686 -2.1649606 1 1298 1 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 0 0.28752184 -5.3759565 -3.2756562 1 1299 1 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 0 -4.1968184 -5.586495 -4.303426 1 1300 1 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 0 -5.5814 -5.1204276 -4.2961435 1 1301 1 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 0 -6.154624 -5.203109 -2.8909292 1 1302 1 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 0 -5.7493386 -6.047168 -2.093199 1 1303 1 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 0 -6.4258633 -5.930792 -5.274888 1 1304 1 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 0 -6.0414963 -5.6955605 -6.721197 1 1305 1 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 0 -6.9672213 -6.4302444 -7.675016 1 1306 1 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 0 -6.550722 -6.163039 -9.1170435 1 1307 1 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 0 -7.440938 -6.891814 -10.073637 1 1308 1 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 0 -7.09196 -4.321189 -2.6062102 1 1309 1 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 0 -7.7572446 -4.305994 -1.3140413 1 1310 1 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 0 -8.797529 -5.4146795 -1.263074 1 1311 1 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 0 -9.502996 -5.66273 -2.2357407 1 1312 1 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 0 -8.42615 -2.9511456 -1.0795935 1 1313 1 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 0 -9.102252 -2.7978535 0.28233975 1 1314 1 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 0 -8.12014 -2.952808 1.4427105 1 1315 1 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 0 -8.795731 -2.636096 2.7800477 1 1316 1 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 0 -8.085336 -3.2651534 3.913076 1 1317 1 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 0 -8.86513 -6.118902 -0.120278075 1 1318 1 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 0 -9.874517 -7.1448746 0.110193625 1 1319 1 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 0 -10.904034 -6.5440483 1.0522202 1 1320 1 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 0 -10.554327 -5.78563 1.9567463 1 1321 1 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 0 -9.254347 -8.407881 0.7404747 1 1322 1 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 0 -10.347204 -9.396642 1.1283355 1 1323 1 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 0 -8.276113 -9.045684 -0.22993632 1 1324 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 -12.178112 -6.8596754 0.8316969 1 1325 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 -13.240634 -6.262814 1.6472487 1 1326 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 -13.2951565 -6.8752103 3.03906 1 1327 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 -14.307695 -7.429887 3.4640932 1 1328 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 -14.604734 -6.360197 0.9199767 1 1329 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 -14.68844 -5.3678827 -0.22086273 1 1330 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 -15.31019 -5.9991007 -1.4974731 1 1331 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 -14.629923 -7.3135786 -1.8677919 1 1332 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 -13.188954 -7.188219 -2.2530777 1 1333 1 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 0 -12.158691 -6.795788 3.7264323 1 1334 1 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 0 -12.018259 -7.258843 5.094261 1 1335 1 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 0 -11.057373 -6.299104 5.7784853 1 1336 1 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 0 -10.115026 -5.804805 5.1602945 1 1337 1 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 0 -11.477638 -8.697544 5.1179895 1 1338 1 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 0 -12.016249 -9.530111 6.2622895 1 1339 1 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 0 -11.956066 -11.037991 5.9187145 1 1340 1 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 0 -10.578857 -11.619206 6.14687 1 1341 1 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 0 -10.142692 -11.480884 7.569332 1 1342 1 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 0 -11.299625 -6.007868 7.041277 1 1343 1 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 0 -10.526472 -5.019005 7.7846346 1 1344 1 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 0 -9.023402 -5.2991896 7.747798 1 1345 1 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 0 -8.578747 -6.387234 8.130863 1 1346 1 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 0 -11.015781 -4.966137 9.227907 1 1347 1 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 0 -10.5019655 -3.795903 10.045873 1 1348 1 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 0 -11.191667 -3.779077 11.406429 1 1349 1 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 0 -10.546772 -2.786317 12.362751 1 1350 1 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 0 -11.153513 -2.8608174 13.705841 1 1351 1 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 0 -8.251989 -4.3276815 7.236509 1 1352 1 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 0 -6.795042 -4.396693 7.1806774 1 1353 1 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 0 -6.2630715 -5.5381665 6.3075647 1 1354 1 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 0 -5.117717 -5.963275 6.4723415 1 1355 1 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 0 -6.211274 -4.5088587 8.5947895 1 1356 1 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 0 -6.48097 -3.2918062 9.497793 1 1357 1 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 0 -6.3288474 -3.6834564 10.961499 1 1358 1 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 0 -5.51037 -2.1669264 9.149664 1 1359 1 +ATOM N N . THR C0 3 85 . 85 THR C0 N 0 -7.0674744 -6.0013275 5.378627 1 1360 1 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 0 -6.7097597 -7.147197 4.554523 1 1361 1 +ATOM C C . THR C0 3 85 . 85 THR C0 C 0 -6.464719 -6.7594824 3.0903585 1 1362 1 +ATOM O O . THR C0 3 85 . 85 THR C0 O 0 -7.279644 -6.0735946 2.4708338 1 1363 1 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 0 -7.795203 -8.236466 4.624716 1 1364 1 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 0 -8.014212 -8.599763 5.987055 1 1365 1 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 0 -7.378827 -9.473106 3.8518806 1 1366 1 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 0 -5.331543 -7.2173543 2.545527 1 1367 1 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 0 -4.9384537 -6.9406204 1.1764349 1 1368 1 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 0 -4.566271 -8.237934 0.47099465 1 1369 1 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 0 -4.511199 -9.294244 1.0933518 1 1370 1 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 0 -3.758281 -5.9648767 1.1383715 1 1371 1 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 0 -4.1144733 -4.5518017 1.5408785 1 1372 1 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 0 -4.2402782 -4.1961894 2.8839831 1 1373 1 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 0 -4.3297405 -3.566829 0.5867351 1 1374 1 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 0 -4.575695 -2.9012713 3.2598464 1 1375 1 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 0 -4.658735 -2.2687948 0.95114976 1 1376 1 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 0 -4.7781134 -1.9420719 2.2839942 1 1377 1 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 0 -5.108612 -0.65913486 2.6532881 1 1378 1 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 0 -4.3039217 -8.156585 -0.83423215 1 1379 1 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 0 -3.9945912 -9.353863 -1.6061 1 1380 1 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 0 -2.9797974 -9.087406 -2.7130609 1 1381 1 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 0 -3.1701503 -8.188768 -3.5322218 1 1382 1 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 0 -5.2774286 -9.932699 -2.1975532 1 1383 1 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 0 -5.0824914 -11.2225895 -2.9617107 1 1384 1 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 0 -6.3888245 -11.770453 -3.5053556 1 1385 1 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 0 -7.382927 -11.046179 -3.621688 1 1386 1 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 0 -6.4157853 -13.058397 -3.824483 1 1387 1 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 0 -1.8984629 -9.877445 -2.7355337 1 1388 1 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 0 -0.88277966 -9.783323 -3.7766442 1 1389 1 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 0 -1.4094188 -10.388856 -5.0776043 1 1390 1 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 0 -2.1906967 -11.34089 -5.046538 1 1391 1 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 0 0.3785618 -10.542638 -3.379066 1 1392 1 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 0 1.2080164 -9.877533 -2.3226848 1 1393 1 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 0 1.3662902 -10.474706 -1.0782535 1 1394 1 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 0 1.837491 -8.671606 -2.5774128 1 1395 1 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 0 2.138886 -9.869776 -0.09909824 1 1396 1 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 0 2.6122785 -8.063699 -1.5976598 1 1397 1 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 0 2.7616057 -8.663218 -0.3630703 1 1398 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 -0.9772981 -9.829939 -6.190092 1 1399 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 -1.3293037 -10.387966 -7.4925413 1 1400 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 -0.46475828 -11.614992 -7.753166 1 1401 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 0.5599404 -11.815711 -7.1009197 1 1402 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 -1.101742 -9.361571 -8.599545 1 1403 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 0.28950194 -9.137636 -8.789892 1 1404 1 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 0 -0.89543307 -12.442175 -8.701487 1 1405 1 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 0 -0.11418858 -13.609745 -9.069059 1 1406 1 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 0 1.2489413 -13.21773 -9.603346 1 1407 1 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 0 2.231725 -13.920441 -9.39699 1 1408 1 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 0 1.3120861 -12.088911 -10.284374 1 1409 1 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 0 2.5649302 -11.57584 -10.830245 1 1410 1 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 0 3.574741 -11.3231125 -9.713781 1 1411 1 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 0 4.738126 -11.716427 -9.816535 1 1412 1 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 0 2.3188567 -10.277615 -11.610256 1 1413 1 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 0 3.5754466 -9.561588 -12.082346 1 1414 1 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 0 3.2793882 -8.255556 -12.790033 1 1415 1 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 0 3.2790031 -8.230804 -14.041336 1 1416 1 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 0 3.0188904 -7.251906 -12.106667 1 1417 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 3.1251297 -10.646992 -8.667055 1 1418 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 3.9753683 -10.339611 -7.5229287 1 1419 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 4.4203124 -11.617516 -6.8126545 1 1420 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 5.5251956 -11.691173 -6.2838116 1 1421 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 3.2565136 -9.40107 -6.5325766 1 1422 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 3.994312 -9.3206215 -5.2004848 1 1423 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 3.1067 -8.016727 -7.150876 1 1424 1 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 0 3.559895 -12.623617 -6.807608 1 1425 1 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 0 3.8425775 -13.8987665 -6.1539965 1 1426 1 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 0 4.750759 -14.808811 -6.9841175 1 1427 1 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 0 5.169076 -15.8666935 -6.515954 1 1428 1 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 0 2.5382066 -14.639896 -5.8441544 1 1429 1 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 0 1.6585891 -14.034304 -4.756999 1 1430 1 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 0 0.2937742 -14.708792 -4.741816 1 1431 1 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 0 2.3275967 -14.152103 -3.3978906 1 1432 1 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 0 5.048416 -14.399007 -8.187934 1 1433 1 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 0 5.9087243 -15.186182 -9.057219 1 1434 1 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 0 5.2263107 -16.397474 -9.660343 1 1435 1 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 0 5.8588724 -17.4426 -9.827105 1 1436 1 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 0 3.9547226 -16.24418 -9.960953 1 1437 1 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 0 3.181968 -17.350605 -10.537236 1 1438 1 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 0 2.6718338 -17.018806 -11.938196 1 1439 1 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 0 1.5980251 -17.466505 -12.34804 1 1440 1 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 0 2.0143409 -17.69992 -9.631061 1 1441 1 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 0 2.425444 -18.625727 -8.497628 1 1442 1 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 0 1.2392557 -19.132904 -7.71793 1 1443 1 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 0 0.6542785 -18.106354 -6.8693085 1 1444 1 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 0 -0.66722727 -17.912416 -6.756406 1 1445 1 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 0 -1.1093334 -16.965294 -5.9479294 1 1446 1 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 0 -1.5065354 -18.646927 -7.446719 1 1447 1 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 0 3.4556246 -16.242992 -12.669962 1 1448 1 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 0 3.096954 -15.914858 -14.034803 1 1449 1 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 0 3.2214937 -17.154179 -14.911426 1 1450 1 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 0 4.1347256 -17.952038 -14.7579 1 1451 1 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 0 2.2803726 -17.266369 -15.8093195 1 1452 1 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 0 2.3127985 -18.41143 -16.711277 1 1453 1 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 0 1.4527628 -19.577152 -16.25605 1 1454 1 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 0 1.170738 -20.498209 -17.033775 1 1455 1 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 0 1.0453888 -19.542667 -14.98824 1 1456 1 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 0 0.20114501 -20.610033 -14.455486 1 1457 1 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 0 -1.1193769 -20.670273 -15.199361 1 1458 1 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 0 -1.6211934 -21.751781 -15.510733 1 1459 1 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 0 -0.048834763 -20.396183 -12.960836 1 1460 1 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 0 -0.74887323 -21.53809 -12.223011 1 1461 1 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 0 -0.99698323 -21.151226 -10.760677 1 1462 1 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 0 0.077903494 -22.821651 -12.297987 1 1463 1 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 0 -1.6675463 -19.493288 -15.497599 1 1464 1 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 0 -2.9223518 -19.404911 -16.237137 1 1465 1 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 0 -2.7734017 -19.941833 -17.661499 1 1466 1 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 0 -3.7214081 -20.47456 -18.238182 1 1467 1 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 0 -3.4154687 -17.962208 -16.273895 1 1468 1 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 0 -1.5468287 -19.790783 -18.204617 1 1469 1 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 0 -1.2628613 -20.261559 -19.555103 1 1470 1 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 0 -1.2517273 -21.788315 -19.637535 1 1471 1 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 0 -1.5413587 -22.364868 -20.69386 1 1472 1 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 0 0.08775774 -19.719528 -20.03758 1 1473 1 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 0 0.19583051 -18.198057 -20.024296 1 1474 1 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 0 1.6139421 -17.7299 -20.30193 1 1475 1 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 0 2.0090728 -16.67268 -19.802612 1 1476 1 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 0 2.3513389 -18.448477 -21.01593 1 1477 1 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 0 -0.87009895 -22.432526 -18.51622 1 1478 1 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 0 -0.7370628 -23.886328 -18.486607 1 1479 1 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 0 -2.0735407 -24.597195 -18.268848 1 1480 1 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 0 -2.1181293 -25.840645 -18.282387 1 1481 1 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 0 0.24079299 -24.297585 -17.379683 1 1482 1 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 0 1.6767548 -23.799759 -17.607319 1 1483 1 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 0 2.6608777 -24.499659 -16.661463 1 1484 1 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 0 2.448133 -24.128193 -15.26556 1 1485 1 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 0 2.9973311 -23.0617 -14.671555 1 1486 1 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 0 3.7890568 -22.251215 -15.357234 1 1487 1 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 0 2.7599711 -22.807905 -13.378006 1 1488 1 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 0 -3.1625133 -23.84 -18.092543 1 1489 1 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 0 -4.4663196 -24.43694 -17.785404 1 1490 1 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 0 -5.2923536 -24.790726 -19.005451 1 1491 1 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 0 -5.194352 -24.141886 -20.047733 1 1492 1 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 0 -5.27918 -23.505161 -16.866997 1 1493 1 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 0 -4.7738833 -23.482803 -15.444858 1 1494 1 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 0 -5.4802175 -22.416422 -14.623632 1 1495 1 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 0 -4.857358 -22.279613 -13.3139305 1 1496 1 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 0 -4.7048097 -21.118607 -12.689871 1 1497 1 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 0 -4.1372166 -21.06686 -11.500242 1 1498 1 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 0 -5.141953 -20.005854 -13.252796 1 1499 1 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 0 -6.14019 -25.826054 -18.87791 1 1500 1 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 0 -7.0671844 -26.287523 -19.915615 1 1501 1 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 0 -8.448238 -26.337437 -19.320274 1 1502 1 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 0 -8.599207 -26.602362 -18.1067 1 1503 1 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 0 -6.645077 -27.674051 -20.434574 1 1504 1 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 0 -5.361694 -27.671455 -21.220932 1 1505 1 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 0 -5.076843 -26.740417 -22.19751 1 1506 1 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 0 -4.3214726 -28.509394 -21.111746 1 1507 1 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 0 -3.9105315 -26.93893 -22.72429 1 1508 1 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 0 -3.3657112 -28.095749 -22.037838 1 1509 1 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 0 -9.413189 -26.072195 -20.166058 1 1510 1 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 0 -9.408162 -25.951519 -21.632488 1 1511 1 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 0 -8.930618 -24.579521 -22.116302 1 1512 1 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 0 -7.721789 -24.386702 -22.26819 1 1513 1 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 0 -10.870464 -26.157614 -22.043188 1 1514 1 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 0 -11.643397 -26.260204 -20.753418 1 1515 1 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 0 -10.737294 -25.933884 -19.62801 1 1516 1 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 0 -9.794573 -23.611609 -22.462696 1 1517 1 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 0 -9.40294 -22.319227 -23.05935 1 1518 1 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 0 -9.305679 -21.188114 -22.0305 1 1519 1 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 0 -9.15232 -21.455048 -20.842976 1 1520 1 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 0 -10.550844 -22.040903 -24.040688 1 1521 1 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 0 -11.756942 -22.716599 -23.43649 1 1522 1 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 0 -11.279971 -23.684454 -22.405033 1 1523 1 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 0 -9.375787 -19.937698 -22.515491 1 1524 1 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 0 -9.351265 -18.750517 -21.665474 1 1525 1 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 0 -10.267235 -18.905445 -20.462923 1 1526 1 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 0 -11.4771185 -18.99633 -20.579056 1 1527 1 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 0 -9.753753 -17.50201 -22.457687 1 1528 1 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 0 -8.595739 -16.842274 -23.174894 1 1529 1 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 0 -7.4349923 -17.519762 -23.453304 1 1530 1 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 0 -8.450452 -15.588549 -23.671047 1 1531 1 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 0 -6.590532 -16.72429 -24.087904 1 1532 1 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 0 -7.1902275 -15.514755 -24.2308 1 1533 1 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 0 -9.666172 -18.935574 -19.350948 1 1534 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_1.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_1.cif new file mode 100644 index 0000000000000000000000000000000000000000..db1226da192b5e16bd910f03bd7518015d6fe023 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_1.cif @@ -0,0 +1,1861 @@ +data_8e3r-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 95.31 30.552902 -11.614878 -7.9580507 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 97.27 31.43371 -10.484356 -7.551306 1 2 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 96.48 31.085087 -9.143669 -7.2586718 1 3 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 96.48 32.317383 -10.517686 -8.92432 1 4 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 95.31 32.40732 -11.185912 -6.38585 1 5 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 96.88 32.701538 -10.372335 -5.391535 1 6 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 98.44 32.056015 -10.654589 -4.035221 1 7 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 98.44 31.854467 -9.333368 -3.4472742 1 8 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 98.83 30.690645 -11.355643 -3.9468632 1 9 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 98.44 30.613235 -12.112568 -2.7380211 1 10 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 98.83 29.707867 -10.186747 -3.9226246 1 11 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 98.83 30.473925 -9.117467 -3.1718698 1 12 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 98.44 30.13068 -7.750925 -3.5857081 1 13 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 98.44 30.117817 -7.2271395 -4.8505344 1 14 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 98.83 29.80099 -5.957123 -4.906621 1 15 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 98.83 29.596375 -5.6089296 -3.584597 1 16 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 98.44 29.240953 -4.399912 -2.9685795 1 17 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 98.44 29.021763 -3.2644558 -3.6440578 1 18 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 98.83 29.124846 -4.405437 -1.6193122 1 19 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 98.44 29.349115 -5.5458636 -0.93960345 1 20 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 98.83 29.691465 -6.752187 -1.4134362 1 21 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 98.83 29.796299 -6.70804 -2.755387 1 22 +ATOM P P . DA A0 1 2 . 2 DA A0 P 97.66 29.557041 -13.160658 -2.36975 1 23 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 95.7 28.756432 -13.4015045 -3.5913286 1 24 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 91.8 30.202381 -14.287495 -1.6517614 1 25 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 97.66 28.648129 -12.360353 -1.3308878 1 26 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 98.44 29.206837 -11.920448 -0.11061676 1 27 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 98.44 28.18304 -11.17445 0.7061701 1 28 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 98.83 28.033566 -9.82136 0.1884665 1 29 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 98.83 26.792439 -11.794255 0.7147987 1 30 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 98.83 26.312984 -11.817693 2.0577774 1 31 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 98.83 25.973059 -10.868728 -0.18947652 1 32 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 98.83 26.665379 -9.5277815 -0.0026292761 1 33 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 98.44 26.58951 -8.602898 -1.1304579 1 34 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 98.83 26.793573 -8.887931 -2.4580922 1 35 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 98.83 26.686235 -7.846796 -3.253867 1 36 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 98.83 26.394464 -6.7964463 -2.3872678 1 37 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 98.44 26.169075 -5.4243555 -2.6034148 1 38 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 98.44 26.206085 -4.855627 -3.8165717 1 39 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 98.44 25.908321 -4.650807 -1.5302689 1 40 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 98.44 25.877548 -5.2258353 -0.32626557 1 41 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 98.44 26.075474 -6.5087395 0.008369077 1 42 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 98.83 26.33073 -7.2461424 -1.0790113 1 43 +ATOM P P . DT A0 1 3 . 3 DT A0 P 98.44 24.880653 -12.503809 2.4161527 1 44 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 98.44 24.341385 -13.196449 1.2206368 1 45 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 98.44 25.06554 -13.246916 3.6989915 1 46 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 98.44 23.97781 -11.2306595 2.7050161 1 47 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 98.83 24.563826 -10.0892105 3.287419 1 48 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 98.83 23.55896 -8.961762 3.3547492 1 49 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 98.83 23.69339 -8.100632 2.1820345 1 50 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 98.44 22.098854 -9.396507 3.394776 1 51 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 98.83 21.426666 -8.578085 4.337574 1 52 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 98.83 21.602829 -9.129261 1.971199 1 53 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 98.83 22.420185 -7.904358 1.6121663 1 54 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 98.83 22.622974 -7.633135 0.16485758 1 55 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 98.83 22.584316 -6.31349 -0.24777523 1 56 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 98.83 22.388985 -5.3778133 0.5072394 1 57 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 98.83 22.789816 -6.1222444 -1.5876997 1 58 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 98.83 23.022154 -7.094699 -2.5402946 1 59 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 98.83 23.19615 -6.794299 -3.7192144 1 60 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 98.83 23.048964 -8.455691 -2.0374866 1 61 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 98.83 23.28857 -9.589137 -2.9964156 1 62 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 98.83 22.851433 -8.654776 -0.727687 1 63 +ATOM P P . DA A0 1 4 . 4 DA A0 P 98.83 19.94334 -8.866014 4.7770867 1 64 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 98.44 19.289398 -9.766718 3.7896967 1 65 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 98.83 19.974567 -9.229088 6.2178216 1 66 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 98.83 19.274075 -7.4278746 4.643492 1 67 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 98.83 20.082401 -6.2742825 4.534835 1 68 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 98.44 19.276745 -5.128627 3.9770312 1 69 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 98.44 19.543503 -4.9644766 2.5532904 1 70 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 98.83 17.77562 -5.3016047 4.1012363 1 71 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 98.83 17.219707 -4.0232897 4.350604 1 72 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 98.83 17.37254 -5.8442965 2.7245085 1 73 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 98.83 18.34467 -5.1010356 1.8237708 1 74 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 98.83 18.692066 -5.7445316 0.5577529 1 75 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 98.83 18.904398 -7.074675 0.3200742 1 76 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 98.83 19.24452 -7.3425446 -0.9170177 1 77 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 98.83 19.261856 -6.1010647 -1.5383921 1 78 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 98.83 19.55106 -5.7050714 -2.8588438 1 79 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 98.83 19.898426 -6.5512333 -3.8260155 1 80 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 98.83 19.476562 -4.3830986 -3.1430259 1 81 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 98.83 19.132484 -3.5356836 -2.167741 1 82 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 98.83 18.83722 -3.7922187 -0.8869183 1 83 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 98.83 18.92255 -5.11193 -0.6373675 1 84 +ATOM P P . DA A0 1 5 . 5 DA A0 P 98.83 15.690509 -3.876175 4.6351576 1 85 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 98.44 14.945351 -5.1281037 4.333845 1 86 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 98.83 15.567102 -3.233295 5.9756184 1 87 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 98.83 15.312035 -2.8021832 3.5280223 1 88 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 98.83 16.253746 -1.8097364 3.1637478 1 89 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 98.83 15.823122 -1.0991614 1.9055188 1 90 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 98.44 16.203148 -1.8717607 0.7336899 1 91 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 98.83 14.324675 -0.848471 1.7860827 1 92 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 98.44 14.160376 0.47306338 1.2942989 1 93 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 98.83 13.857822 -1.9222594 0.79969466 1 94 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 98.83 15.081077 -2.086595 -0.08987777 1 95 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 98.83 15.280228 -3.3929205 -0.7221396 1 96 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 98.83 15.169272 -4.627842 -0.15110186 1 97 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 98.83 15.460223 -5.618428 -0.9617712 1 98 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 98.83 15.787364 -4.988197 -2.1533594 1 99 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 98.83 16.192379 -5.4849443 -3.4054518 1 100 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 98.83 16.344042 -6.7805243 -3.6752474 1 101 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 98.83 16.442677 -4.58322 -4.3821335 1 102 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 98.83 16.296165 -3.2812715 -4.1096444 1 103 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 98.83 15.924955 -2.6945026 -2.9686441 1 104 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 98.83 15.682207 -3.6176944 -2.020813 1 105 +ATOM P P . DA A0 1 6 . 6 DA A0 P 98.83 12.723019 1.0986094 1.076493 1 106 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 98.83 11.68413 0.27542007 1.7333096 1 107 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 98.83 12.844025 2.5491958 1.4056447 1 108 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 98.44 12.557927 0.9605479 -0.49391964 1 109 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 98.83 13.583042 1.4506536 -1.3404855 1 110 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 98.83 13.296626 1.1272674 -2.781765 1 111 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 98.44 13.622423 -0.2617888 -3.0484395 1 112 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 98.83 11.847176 1.3210404 -3.215776 1 113 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 98.83 11.830047 2.1276395 -4.3831663 1 114 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 98.83 11.349379 -0.10175654 -3.4850922 1 115 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 98.83 12.626866 -0.8249675 -3.863669 1 116 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 98.83 12.644932 -2.2708313 -3.6423006 1 117 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 98.83 12.334336 -2.9475634 -2.492447 1 118 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 98.83 12.462162 -4.250496 -2.589488 1 119 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 98.83 12.886057 -4.449912 -3.8992853 1 120 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 98.83 13.204687 -5.6120167 -4.625523 1 121 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 98.83 13.137651 -6.8392267 -4.1204762 1 122 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 98.83 13.600737 -5.460154 -5.905652 1 123 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 98.83 13.668985 -4.2256556 -6.412372 1 124 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 98.83 13.399275 -3.0551877 -5.8258305 1 125 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 98.83 13.00716 -3.2389524 -4.5563984 1 126 +ATOM P P . DA A0 1 7 . 7 DA A0 P 98.83 10.431744 2.6264403 -4.9994316 1 127 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 98.83 9.313719 2.2989573 -4.0877304 1 128 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 98.44 10.6546755 4.025381 -5.4532204 1 129 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 98.44 10.304256 1.7069901 -6.2866993 1 130 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 98.83 11.388179 1.638509 -7.1940503 1 131 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 98.83 11.178343 0.53125215 -8.191486 1 132 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 98.44 11.336788 -0.75868416 -7.5526953 1 133 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 98.83 9.801546 0.5150726 -8.859674 1 134 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 98.83 9.984159 0.56685925 -10.27002 1 135 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 98.83 9.181868 -0.80976224 -8.4123 1 136 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 98.83 10.397734 -1.6581917 -8.096568 1 137 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 98.83 10.198524 -2.7337978 -7.1285515 1 138 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 98.83 9.779341 -2.6297686 -5.8283854 1 139 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 98.83 9.7128315 -3.7797468 -5.1990147 1 140 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 98.83 10.1128235 -4.7091894 -6.1510034 1 141 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 98.83 10.25988 -6.106473 -6.1104527 1 142 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 98.83 10.007008 -6.842308 -5.0297127 1 143 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 98.83 10.682848 -6.72835 -7.2334056 1 144 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 98.83 10.937719 -5.9901485 -8.315945 1 145 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 98.83 10.84198 -4.665345 -8.475868 1 146 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 98.83 10.418044 -4.077282 -7.342037 1 147 +ATOM P P . DG A0 1 8 . 8 DG A0 P 98.83 8.769111 0.92896867 -11.230941 1 148 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 98.83 7.6127176 1.3602462 -10.424835 1 149 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 98.44 9.3106365 1.8148766 -12.296305 1 150 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 98.83 8.438648 -0.4914772 -11.861069 1 151 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 98.83 9.5056095 -1.3606359 -12.103643 1 152 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 98.83 9.053629 -2.712612 -12.608738 1 153 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 98.44 9.056746 -3.6623173 -11.505907 1 154 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 98.83 7.653 -2.773203 -13.223 1 155 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 98.83 7.7294645 -3.514143 -14.429536 1 156 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 98.83 6.8268447 -3.5018249 -12.163788 1 157 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 98.83 7.856307 -4.392213 -11.511049 1 158 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 98.83 7.574248 -4.7433963 -10.124716 1 159 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 98.83 7.219462 -3.8974907 -9.097784 1 160 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 98.83 7.045747 -4.516571 -7.9663444 1 161 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 98.83 7.2955728 -5.8521852 -8.254721 1 162 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 98.83 7.2619343 -6.994204 -7.4266357 1 163 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 98.83 6.993986 -7.0481195 -6.2145367 1 164 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 98.83 7.585311 -8.15823 -8.12225 1 165 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 98.83 7.8999653 -8.204134 -9.45449 1 166 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 98.83 8.185044 -9.41968 -9.95293 1 167 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 98.83 7.9411426 -7.1437674 -10.249628 1 168 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 98.83 7.6281004 -6.007333 -9.581973 1 169 +ATOM P P . DG A0 1 9 . 9 DG A0 P 98.83 6.4988213 -3.4971647 -15.465773 1 170 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 98.83 5.3662744 -2.686883 -14.967857 1 171 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 98.83 7.1058283 -3.2138638 -16.788542 1 172 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 98.83 6.064231 -5.0198536 -15.431164 1 173 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 98.44 7.054402 -6.0011253 -15.605228 1 174 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 98.83 6.460227 -7.3846254 -15.433361 1 175 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 98.83 6.3305626 -7.7023835 -14.028164 1 176 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 98.83 5.0611105 -7.5404463 -16.02635 1 177 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 98.83 4.9766703 -8.849312 -16.563713 1 178 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 98.83 4.149412 -7.3700924 -14.806791 1 179 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 98.83 4.988006 -8.0316105 -13.7349205 1 180 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 98.83 4.743736 -7.618946 -12.3575 1 181 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 98.83 4.598555 -6.348314 -11.862867 1 182 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 98.83 4.425866 -6.31643 -10.572817 1 183 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 98.83 4.4590945 -7.6471453 -10.184325 1 184 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 98.83 4.3250284 -8.233071 -8.898732 1 185 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 98.83 4.152935 -7.6817284 -7.81038 1 186 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 98.83 4.4155846 -9.62479 -8.9544735 1 187 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 98.83 4.617481 -10.355212 -10.109257 1 188 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 98.83 4.681746 -11.682424 -9.963888 1 189 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 98.83 4.746202 -9.807435 -11.313233 1 190 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 98.83 4.6572886 -8.456652 -11.273737 1 191 +ATOM P P . DA A0 1 10 . 10 DA A0 P 98.44 3.8723938 -9.232204 -17.68451 1 192 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 98.83 3.0944881 -8.03378 -18.092997 1 193 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 98.83 4.611595 -10.032712 -18.696175 1 194 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 98.83 2.9113946 -10.205763 -16.891544 1 195 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 98.44 3.4961886 -11.307632 -16.237183 1 196 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 98.83 2.5391774 -11.884729 -15.22434 1 197 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 98.44 2.601194 -11.137547 -13.983059 1 198 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 98.83 1.0620052 -11.866573 -15.662085 1 199 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 98.83 0.5207454 -13.15329 -15.446575 1 200 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 98.83 0.4299038 -10.834781 -14.723661 1 201 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 98.83 1.2955025 -11.018872 -13.489404 1 202 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 98.83 1.2568028 -9.952104 -12.503407 1 203 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 98.83 1.2643417 -8.591403 -12.696336 1 204 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 98.83 1.2010835 -7.893592 -11.587679 1 205 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 98.83 1.1510113 -8.861955 -10.59239 1 206 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 98.83 1.0711725 -8.778929 -9.190643 1 207 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 98.83 1.0219893 -7.6308584 -8.510029 1 208 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 98.83 1.0374414 -9.928621 -8.485745 1 209 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 98.83 1.084736 -11.089157 -9.162559 1 210 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 98.83 1.1591849 -11.2927685 -10.484019 1 211 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 98.83 1.1894892 -10.123662 -11.148323 1 212 +ATOM P P . DA A0 1 11 . 11 DA A0 P 98.83 -0.71417 -13.701121 -16.289621 1 213 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 98.83 -1.5000873 -12.55999 -16.832666 1 214 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 98.83 -0.17719534 -14.75518 -17.195583 1 215 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 98.83 -1.5709189 -14.416706 -15.162263 1 216 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 98.44 -0.8791331 -15.146289 -14.1662655 1 217 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 98.83 -1.5948526 -15.042039 -12.843071 1 218 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 98.83 -1.3341479 -13.761444 -12.223041 1 219 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 98.83 -3.1193414 -15.170311 -12.934578 1 220 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 98.83 -3.5326118 -16.164516 -12.023043 1 221 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 98.83 -3.6217914 -13.777866 -12.540948 1 222 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 98.83 -2.5133348 -13.315987 -11.611062 1 223 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 98.83 -2.429508 -11.884078 -11.388735 1 224 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 98.83 -2.3894463 -10.876256 -12.31679 1 225 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 98.83 -2.3335426 -9.677036 -11.789892 1 226 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 98.83 -2.3358457 -9.915951 -10.418053 1 227 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 98.83 -2.29241 -9.053188 -9.3083105 1 228 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 98.83 -2.2400782 -7.725353 -9.39817 1 229 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 98.83 -2.3125167 -9.611452 -8.078883 1 230 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 98.83 -2.3679366 -10.947998 -7.983613 1 231 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 98.83 -2.4115534 -11.856534 -8.959463 1 232 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 98.83 -2.3904545 -11.266469 -10.165546 1 233 +ATOM P P . DG A0 1 12 . 12 DG A0 P 98.83 -5.051914 -16.574907 -11.84983 1 234 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 98.83 -5.8826113 -15.753834 -12.773971 1 235 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 98.83 -5.122372 -18.049252 -11.891285 1 236 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 98.83 -5.3488846 -16.103725 -10.363478 1 237 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 98.83 -4.398445 -16.344254 -9.339186 1 238 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 98.83 -4.9282107 -15.843881 -8.015306 1 239 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 98.83 -4.683652 -14.4127445 -7.895265 1 240 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 98.83 -6.425543 -16.039204 -7.843649 1 241 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 98.44 -6.6951323 -16.46238 -6.5226097 1 242 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 98.83 -7.004605 -14.652729 -8.125914 1 243 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 98.83 -5.8978786 -13.740516 -7.632435 1 244 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 98.83 -5.830989 -12.435156 -8.280213 1 245 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 98.83 -5.734912 -12.176075 -9.628236 1 246 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 98.83 -5.67826 -10.906136 -9.9069 1 247 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 98.83 -5.734972 -10.282597 -8.662101 1 248 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 98.83 -5.7098174 -8.906809 -8.3235855 1 249 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 98.83 -5.6235538 -7.926918 -9.079697 1 250 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 98.83 -5.7999125 -8.709208 -6.945298 1 251 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 98.83 -5.8886957 -9.71771 -6.0153112 1 252 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 98.83 -5.966011 -9.32902 -4.7306237 1 253 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 98.83 -5.908922 -11.007845 -6.318058 1 254 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 98.83 -5.8281107 -11.213947 -7.6525145 1 255 +ATOM P P . DT A0 1 13 . 13 DT A0 P 98.83 -8.186355 -16.831043 -6.1166596 1 256 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 98.83 -9.051182 -16.830978 -7.326134 1 257 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 98.44 -8.128379 -18.02865 -5.2426486 1 258 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 98.83 -8.597977 -15.580099 -5.23995 1 259 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 98.44 -7.6571493 -15.008599 -4.3664517 1 260 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 98.83 -8.340204 -13.993889 -3.468686 1 261 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 98.83 -8.244348 -12.674988 -4.0690403 1 262 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 98.83 -9.821948 -14.258972 -3.2510877 1 263 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 98.83 -10.105951 -14.059362 -1.8820144 1 264 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 98.83 -10.523123 -13.240322 -4.161152 1 265 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 98.83 -9.529928 -12.095081 -4.182315 1 266 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 98.83 -9.50202 -11.259798 -5.4125395 1 267 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 98.83 -9.475046 -9.886274 -5.27279 1 268 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 98.83 -9.510101 -9.322687 -4.1956577 1 269 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 98.83 -9.39296 -9.188499 -6.445005 1 270 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 98.83 -9.342855 -9.715733 -7.7206435 1 271 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 98.83 -9.262054 -8.987694 -8.706543 1 272 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 98.83 -9.383282 -11.16362 -7.795987 1 273 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 98.83 -9.345726 -11.834038 -9.136656 1 274 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 98.83 -9.458561 -11.85465 -6.652878 1 275 +ATOM P P . DG A0 1 14 . 14 DG A0 P 98.83 -11.509866 -14.478451 -1.2643988 1 276 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 98.83 -12.220804 -15.308634 -2.266314 1 277 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 98.83 -11.287857 -14.979706 0.11903 1 278 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 98.83 -12.233126 -13.080545 -1.1645968 1 279 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 98.83 -11.611906 -12.044384 -0.4374027 1 280 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 98.83 -12.498286 -10.820378 -0.4557727 1 281 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 98.83 -12.347473 -10.118652 -1.7152925 1 282 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 98.83 -13.982153 -11.141959 -0.32718152 1 283 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 98.83 -14.555119 -10.148407 0.49092558 1 284 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 98.83 -14.481151 -11.067292 -1.7718511 1 285 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 98.83 -13.609737 -9.965488 -2.3263779 1 286 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 98.83 -13.383483 -9.96511 -3.7660608 1 287 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 98.83 -13.36071 -11.027464 -4.634995 1 288 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 98.83 -13.101991 -10.691746 -5.864152 1 289 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 98.83 -12.938662 -9.313928 -5.8125496 1 290 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 98.83 -12.640902 -8.384363 -6.836597 1 291 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 98.83 -12.445432 -8.599581 -8.04035 1 292 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 98.83 -12.558611 -7.086296 -6.3491116 1 293 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 98.83 -12.741655 -6.726194 -5.0361996 1 294 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 98.83 -12.630293 -5.4266376 -4.7528305 1 295 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 98.83 -13.025175 -7.58931 -4.0667906 1 296 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 98.83 -13.108933 -8.859704 -4.5252867 1 297 +ATOM P P . DG A0 1 15 . 15 DG A0 P 98.83 -16.015825 -10.235572 1.0113077 1 298 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 98.83 -16.78374 -11.186171 0.16244486 1 299 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 98.83 -15.979604 -10.41369 2.4860725 1 300 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 98.83 -16.53347 -8.768386 0.7156837 1 301 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 98.83 -15.697609 -7.6614723 0.99754626 1 302 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 98.83 -16.229864 -6.4541187 0.26459318 1 303 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 98.83 -15.826133 -6.5132127 -1.1296813 1 304 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 98.44 -17.755077 -6.3807135 0.27363423 1 305 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 98.83 -18.165257 -5.0393248 0.48901445 1 306 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 98.83 -18.133945 -6.887784 -1.1182233 1 307 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 98.44 -16.964924 -6.422576 -1.9579332 1 308 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 98.83 -16.71592 -7.2154865 -3.1570702 1 309 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 98.83 -16.736755 -8.582722 -3.2784925 1 310 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 98.83 -16.49052 -9.0053005 -4.4850607 1 311 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 98.83 -16.284363 -7.8396244 -5.2098494 1 312 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 98.83 -15.976934 -7.6539226 -6.5772114 1 313 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 98.83 -15.81794 -8.515791 -7.4520197 1 314 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 98.83 -15.843902 -6.3087006 -6.9081364 1 315 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 98.83 -15.99609 -5.270433 -6.0199537 1 316 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 98.83 -15.83481 -4.0389643 -6.52118 1 317 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 98.83 -16.288776 -5.4266768 -4.738344 1 318 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 98.83 -16.413708 -6.730818 -4.4022408 1 319 +ATOM P P . DG A0 1 16 . 16 DG A0 P 98.83 -19.700928 -4.668215 0.41874337 1 320 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 98.83 -20.474808 -5.923354 0.24146172 1 321 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 98.44 -20.029314 -3.735764 1.5186908 1 322 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 98.83 -19.758476 -3.874609 -0.96259046 1 323 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 98.44 -18.861822 -2.800062 -1.2160938 1 324 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 98.83 -19.215893 -2.1539507 -2.5400171 1 325 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 98.44 -18.840939 -3.039999 -3.6275244 1 326 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 98.83 -20.706095 -1.8908856 -2.7103522 1 327 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 98.83 -20.887892 -0.7291398 -3.5048106 1 328 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 98.83 -21.180202 -3.1211834 -3.4755735 1 329 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 98.83 -19.991306 -3.3676631 -4.3882217 1 330 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 98.44 -19.84016 -4.7401457 -4.867417 1 331 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 98.83 -20.013042 -5.8991766 -4.165539 1 332 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 98.83 -19.802097 -6.9745393 -4.873128 1 333 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 98.83 -19.46373 -6.4907084 -6.1273584 1 334 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 98.83 -19.128305 -7.1826725 -7.3186493 1 335 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 98.83 -19.053642 -8.396399 -7.5097084 1 336 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 98.83 -18.85421 -6.309433 -8.367576 1 337 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 98.83 -18.89743 -4.9379344 -8.273767 1 338 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 98.83 -18.602695 -4.256637 -9.403046 1 339 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 98.83 -19.213203 -4.2749033 -7.1701922 1 340 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 98.83 -19.478035 -5.1144605 -6.1364985 1 341 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 94.92 -17.8676 -14.829021 -15.191444 1 342 +ATOM P P . DT B0 2 1 . 1 DT B0 P 97.66 -19.349617 -15.208206 -15.164637 1 343 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 96.88 -19.11515 -15.83695 -13.8993635 1 344 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 96.48 -19.262486 -15.602392 -16.477962 1 345 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 95.31 -20.236702 -13.779959 -15.094727 1 346 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 96.88 -20.868134 -13.399595 -16.27125 1 347 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 98.44 -20.690416 -11.884521 -16.501305 1 348 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 98.83 -21.470509 -11.190093 -15.495454 1 349 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 98.83 -19.254505 -11.42812 -16.344624 1 350 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 98.44 -18.831234 -10.604899 -17.424068 1 351 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 98.44 -19.222397 -10.635036 -15.03071 1 352 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 98.83 -20.673227 -10.242964 -14.8118305 1 353 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 98.83 -20.974607 -10.289109 -13.353727 1 354 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 98.83 -21.312977 -9.137408 -12.678011 1 355 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 98.83 -21.44466 -8.049246 -13.20759 1 356 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 98.83 -21.510845 -9.303003 -11.337118 1 357 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 98.44 -21.394482 -10.481918 -10.621183 1 358 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 98.44 -21.5851 -10.517629 -9.408447 1 359 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 98.83 -21.038841 -11.642973 -11.381933 1 360 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 98.44 -20.885235 -12.981665 -10.69578 1 361 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 98.83 -20.852135 -11.495736 -12.701166 1 362 +ATOM P P . DC B0 2 2 . 2 DC B0 P 98.44 -17.189716 -10.328501 -17.461609 1 363 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 96.88 -16.496014 -11.108179 -16.407364 1 364 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 94.53 -16.75078 -10.440695 -18.870289 1 365 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 98.05 -17.145493 -8.783522 -17.034187 1 366 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 98.44 -18.156876 -7.8926425 -17.46199 1 367 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 98.44 -18.03418 -6.585598 -16.703964 1 368 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 98.44 -18.609158 -6.729018 -15.3659315 1 369 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 98.83 -16.598314 -6.1188335 -16.50515 1 370 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 98.44 -16.487082 -4.712081 -16.715157 1 371 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 98.83 -16.299816 -6.4756575 -15.054143 1 372 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 98.44 -17.666588 -6.342394 -14.391203 1 373 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 98.83 -17.83123 -7.205994 -13.199405 1 374 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 98.44 -18.192596 -6.6326885 -11.970219 1 375 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 98.83 -18.375431 -5.402093 -11.910574 1 376 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 98.83 -18.329475 -7.429554 -10.880585 1 377 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 98.83 -18.123402 -8.739117 -11.001442 1 378 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 98.83 -18.270645 -9.488718 -9.900543 1 379 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 98.83 -17.7571 -9.357265 -12.2328 1 380 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 98.83 -17.630219 -8.55591 -13.301095 1 381 +ATOM P P . DC B0 2 3 . 3 DC B0 P 98.44 -15.037729 -4.0599227 -16.830952 1 382 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 98.83 -14.002561 -5.117255 -16.687023 1 383 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 98.44 -15.076832 -3.2327223 -18.06863 1 384 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 98.83 -14.900562 -3.0926015 -15.563136 1 385 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 98.83 -16.04147 -2.530175 -14.950133 1 386 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 98.83 -15.610047 -1.8051248 -13.685468 1 387 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 98.44 -15.893231 -2.6488967 -12.526176 1 388 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 98.83 -14.1214905 -1.4882954 -13.618166 1 389 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 98.83 -13.913949 -0.22463876 -13.005322 1 390 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 98.83 -13.546282 -2.6131701 -12.759338 1 391 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 98.83 -14.704581 -2.9218214 -11.819628 1 392 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 98.83 -14.75036 -4.336714 -11.381524 1 393 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 98.83 -15.070108 -4.6372027 -10.050035 1 394 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 98.83 -15.31961 -3.7049985 -9.2675085 1 395 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 98.83 -15.105137 -5.9330325 -9.662453 1 396 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 98.83 -14.836213 -6.8996367 -10.544943 1 397 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 98.83 -14.876637 -8.163595 -10.122686 1 398 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 98.83 -14.50584 -6.623857 -11.901521 1 399 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 98.83 -14.478836 -5.3371077 -12.271961 1 400 +ATOM P P . DC B0 2 4 . 4 DC B0 P 98.44 -12.421993 0.3875125 -12.892811 1 401 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 98.83 -11.416853 -0.629851 -13.275839 1 402 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 98.83 -12.478537 1.682487 -13.6213875 1 403 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 98.83 -12.248839 0.68372893 -11.340759 1 404 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 98.44 -13.388163 0.78889775 -10.515427 1 405 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 98.83 -13.017801 0.5388972 -9.069496 1 406 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 98.83 -13.112021 -0.88293386 -8.757558 1 407 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 98.83 -11.607822 0.9434699 -8.688034 1 408 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 98.44 -11.647294 1.4400344 -7.3664446 1 409 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 98.83 -10.823622 -0.37184387 -8.758627 1 410 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 98.83 -11.873665 -1.3542249 -8.268127 1 411 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 98.83 -11.744842 -2.7575867 -8.730972 1 412 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 98.83 -12.058981 -3.7823734 -7.8341665 1 413 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 98.83 -12.406153 -3.4987268 -6.6798306 1 414 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 98.83 -11.983168 -5.064914 -8.261175 1 415 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 98.83 -11.616142 -5.3399363 -9.514732 1 416 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 98.83 -11.555129 -6.6162033 -9.89233 1 417 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 98.83 -11.287693 -4.310114 -10.439762 1 418 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 98.83 -11.3680935 -3.0472856 -10.008178 1 419 +ATOM P P . DA B0 2 5 . 5 DA B0 P 98.83 -10.663367 2.6243472 -6.9049234 1 420 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 98.44 -9.657609 2.8824558 -7.9671354 1 421 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 98.83 -11.505367 3.7313719 -6.384735 1 422 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 98.83 -9.928274 1.9508363 -5.682974 1 423 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 98.83 -10.694967 1.4037935 -4.6250134 1 424 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 98.83 -9.9140835 0.30504605 -3.9434214 1 425 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 98.83 -9.934599 -0.8945999 -4.760539 1 426 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 98.83 -8.437584 0.619876 -3.6962028 1 427 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 98.83 -8.123802 0.20555887 -2.3786156 1 428 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 98.83 -7.7151303 -0.22308871 -4.7479362 1 429 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 98.83 -8.636032 -1.428659 -4.7969036 1 430 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 98.83 -8.519651 -2.3128834 -5.944855 1 431 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 98.83 -8.143126 -2.0149007 -7.230289 1 432 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 98.83 -8.119973 -3.04394 -8.036799 1 433 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 98.83 -8.520422 -4.1000767 -7.2236595 1 434 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 98.83 -8.697715 -5.4726973 -7.4786158 1 435 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 98.83 -8.490899 -6.0397406 -8.6674185 1 436 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 98.44 -9.105381 -6.254619 -6.456553 1 437 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 98.83 -9.310919 -5.684382 -5.258891 1 438 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 98.83 -9.171859 -4.408863 -4.9059563 1 439 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 98.83 -8.770585 -3.6634831 -5.9452267 1 440 +ATOM P P . DC B0 2 6 . 6 DC B0 P 98.83 -6.8181458 0.8315201 -1.6387745 1 441 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 98.83 -6.724643 2.268668 -1.9868317 1 442 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 98.44 -6.903266 0.42433295 -0.20684263 1 443 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 98.83 -5.6403213 0.06479868 -2.36856 1 444 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 98.44 -4.91356 -0.94041514 -1.7122853 1 445 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 98.44 -5.6564946 -2.242056 -1.5990653 1 446 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 98.83 -6.0927715 -2.6934295 -2.9120002 1 447 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 98.83 -4.803102 -3.369247 -1.029133 1 448 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 98.83 -5.5083857 -4.0865545 -0.039195344 1 449 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 98.83 -4.537939 -4.2500114 -2.2501786 1 450 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 98.83 -5.768125 -4.0473547 -3.0772161 1 451 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 98.83 -5.56753 -4.368845 -4.5147038 1 452 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 98.83 -5.8429213 -5.661313 -4.971586 1 453 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 98.83 -6.280507 -6.4993033 -4.186671 1 454 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 98.83 -5.628885 -5.954973 -6.275606 1 455 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 98.83 -5.1612797 -5.0249505 -7.103958 1 456 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 98.83 -4.9707375 -5.365059 -8.373451 1 457 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 98.83 -4.875932 -3.6995199 -6.6460876 1 458 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 98.83 -5.0937815 -3.4147434 -5.3564262 1 459 +ATOM P P . DT B0 2 7 . 7 DT B0 P 98.83 -4.637809 -4.935503 1.0375526 1 460 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 98.83 -3.3100448 -4.312745 1.2588167 1 461 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 98.83 -5.5497184 -5.189465 2.180169 1 462 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 98.83 -4.3842573 -6.30441 0.27224755 1 463 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 98.83 -5.4656916 -7.172046 0.029431708 1 464 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 98.83 -4.9705696 -8.492835 -0.5375666 1 465 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 98.83 -4.653741 -8.338396 -1.9412928 1 466 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 98.83 -3.7128537 -9.071844 0.11999265 1 467 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 98.83 -3.9489017 -10.469923 0.27776474 1 468 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 98.44 -2.604711 -8.806529 -0.902584 1 469 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 98.83 -3.3832388 -8.909013 -2.2100925 1 470 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 98.83 -2.8856878 -8.189705 -3.4107096 1 471 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 98.83 -2.8734226 -8.896099 -4.5949345 1 472 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 98.83 -3.1633503 -10.081837 -4.6673527 1 473 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 98.83 -2.5121975 -8.169922 -5.6989613 1 474 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 98.83 -2.1683555 -6.836715 -5.728965 1 475 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 98.83 -1.8782284 -6.287956 -6.7904806 1 476 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 98.83 -2.1902103 -6.1601696 -4.45737 1 477 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 98.83 -1.8188574 -4.705782 -4.3900366 1 478 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 98.83 -2.5447187 -6.8642073 -3.3726044 1 479 +ATOM P P . DT B0 2 8 . 8 DT B0 P 98.83 -3.0507607 -11.373543 1.2376862 1 480 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 98.44 -2.1035 -10.519394 1.9907569 1 481 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 98.83 -3.988563 -12.272585 1.9606247 1 482 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 98.83 -2.2112064 -12.241615 0.20548883 1 483 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 98.44 -2.9074655 -13.025455 -0.7383172 1 484 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 98.83 -1.9563825 -13.608582 -1.7688823 1 485 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 98.83 -1.6719068 -12.624737 -2.7979348 1 486 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 98.83 -0.59673506 -14.082846 -1.2401764 1 487 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 98.83 -0.43027264 -15.436417 -1.6570778 1 488 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 98.83 0.41511196 -13.153661 -1.9099753 1 489 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 98.83 -0.3205964 -12.745502 -3.1771626 1 490 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 98.83 0.051210985 -11.442029 -3.796324 1 491 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 98.83 0.16952723 -11.384218 -5.179737 1 492 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 98.83 0.023492202 -12.354612 -5.902467 1 493 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 98.83 0.46515197 -10.143121 -5.6845984 1 494 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 98.83 0.6506275 -8.991387 -4.9523973 1 495 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 98.83 0.9037373 -7.923771 -5.5117903 1 496 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 98.83 0.5176446 -9.118223 -3.517755 1 497 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 98.83 0.70820594 -7.9147263 -2.638586 1 498 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 98.83 0.22601216 -10.326105 -3.0170555 1 499 +ATOM P P . DC B0 2 9 . 9 DC B0 P 98.83 0.8910711 -16.28463 -1.1825378 1 500 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 98.44 1.5493783 -15.623991 -0.025408374 1 501 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 98.83 0.4454584 -17.697931 -1.0852926 1 502 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 98.83 1.8570102 -16.154099 -2.4442823 1 503 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 98.83 1.3287781 -16.418255 -3.7235286 1 504 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 98.83 2.395678 -16.261074 -4.7823825 1 505 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 98.83 2.3892283 -14.880362 -5.2633505 1 506 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 98.83 3.8260376 -16.554527 -4.324089 1 507 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 98.44 4.4272404 -17.47038 -5.2269335 1 508 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 98.83 4.5165977 -15.193652 -4.368063 1 509 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 98.83 3.7182956 -14.467201 -5.428663 1 510 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 98.83 3.747326 -12.988161 -5.3399534 1 511 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 98.83 3.9117968 -12.233345 -6.5102577 1 512 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 98.83 4.005454 -12.824661 -7.5976114 1 513 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 98.83 3.9582343 -10.885429 -6.4334836 1 514 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 98.83 3.852582 -10.290614 -5.2420187 1 515 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 98.83 3.9093485 -8.955341 -5.2087183 1 516 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 98.83 3.6860824 -11.033155 -4.0348716 1 517 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 98.83 3.6352313 -12.369469 -4.133319 1 518 +ATOM P P . DC B0 2 10 . 10 DC B0 P 98.83 5.8566103 -18.149216 -4.869726 1 519 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 98.83 6.307996 -17.72443 -3.5174184 1 520 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 98.44 5.7085757 -19.59211 -5.199426 1 521 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 98.83 6.837407 -17.487764 -5.9435472 1 522 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 98.44 6.4157286 -17.404419 -7.289688 1 523 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 98.83 7.238473 -16.387419 -8.0252285 1 524 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 98.83 6.7921762 -15.039789 -7.6780195 1 525 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 98.83 8.74188 -16.424477 -7.730174 1 526 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 98.44 9.464394 -16.430544 -8.945747 1 527 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 98.83 8.984889 -15.13199 -6.9692345 1 528 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 98.83 7.926405 -14.237607 -7.5904145 1 529 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 98.83 7.6474876 -13.009665 -6.822553 1 530 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 98.83 7.6109447 -11.802349 -7.518113 1 531 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 98.83 7.7487903 -11.807955 -8.745583 1 532 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 98.83 7.4289055 -10.652447 -6.827772 1 533 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 98.83 7.281364 -10.686746 -5.4988294 1 534 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 98.83 7.113885 -9.5295315 -4.8646355 1 535 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 98.83 7.305753 -11.917162 -4.768448 1 536 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 98.83 7.4858565 -13.043395 -5.469163 1 537 +ATOM P P . DT B0 2 11 . 11 DT B0 P 98.83 11.068796 -16.620401 -8.957594 1 538 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 98.83 11.652994 -16.351807 -7.6180058 1 539 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 98.83 11.315853 -17.910694 -9.640457 1 540 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 98.83 11.530109 -15.434494 -9.924662 1 541 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 98.83 10.781223 -15.16609 -11.098852 1 542 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 98.83 11.158916 -13.809092 -11.659596 1 543 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 98.83 10.680164 -12.763461 -10.773291 1 544 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 98.83 12.659952 -13.591737 -11.807812 1 545 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 98.83 12.906143 -12.967193 -13.06761 1 546 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 98.44 13.019575 -12.676813 -10.631352 1 547 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 98.83 11.732967 -11.879787 -10.44974 1 548 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 98.83 11.487673 -11.351135 -9.082618 1 549 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 98.83 11.302067 -9.991079 -8.924122 1 550 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 98.83 11.350939 -9.193132 -9.844044 1 551 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 98.83 11.059139 -9.58773 -7.6405478 1 552 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 98.83 10.980712 -10.392051 -6.518087 1 553 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 98.83 10.7475 -9.913733 -5.4115114 1 554 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 98.83 11.185962 -11.807287 -6.7552857 1 555 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 98.83 11.124396 -12.767191 -5.5983424 1 556 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 98.83 11.422585 -12.214129 -8.004681 1 557 +ATOM P P . DT B0 2 12 . 12 DT B0 P 98.83 14.399605 -12.866843 -13.657093 1 558 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 98.83 15.376668 -13.400179 -12.659709 1 559 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 98.83 14.351942 -13.414355 -15.028769 1 560 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 98.83 14.630628 -11.295237 -13.763211 1 561 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 98.44 14.029394 -10.470238 -12.806057 1 562 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 98.83 14.17473 -9.015921 -13.1558275 1 563 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 98.44 13.710559 -8.281244 -12.006954 1 564 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 98.83 15.609253 -8.536328 -13.380718 1 565 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 98.44 15.576902 -7.39734 -14.249655 1 566 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 98.83 16.070967 -8.208752 -11.960823 1 567 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 98.83 14.792063 -7.7122087 -11.295262 1 568 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 98.83 14.641873 -8.0829 -9.861288 1 569 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 98.83 14.203388 -7.1180067 -8.98494 1 570 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 98.83 13.94619 -5.975988 -9.3282795 1 571 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 98.83 14.076538 -7.5290976 -7.678218 1 572 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 98.83 14.336051 -8.78936 -7.1824217 1 573 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 98.83 14.18013 -9.036768 -5.994356 1 574 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 98.83 14.789314 -9.759309 -8.157699 1 575 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 98.83 15.1031 -11.156652 -7.718128 1 576 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 98.83 14.91472 -9.363121 -9.435274 1 577 +ATOM P P . DT B0 2 13 . 13 DT B0 P 98.83 16.916328 -6.547341 -14.480965 1 578 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 98.83 18.11359 -7.35606 -14.137535 1 579 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 98.83 16.76369 -5.975517 -15.844883 1 580 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 98.83 16.81258 -5.3469515 -13.433575 1 581 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 98.44 15.637457 -4.5477605 -13.41076 1 582 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 98.83 15.769337 -3.410967 -12.4137 1 583 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 98.83 15.682433 -3.9149904 -11.055441 1 584 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 98.83 17.069496 -2.6195416 -12.48032 1 585 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 98.83 16.728436 -1.2412369 -12.363825 1 586 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 98.44 17.87764 -3.1210153 -11.27911 1 587 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 98.83 16.770176 -3.4337058 -10.284862 1 588 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 98.83 17.037567 -4.465921 -9.24045 1 589 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 98.83 16.69202 -4.1704273 -7.9399652 1 590 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 98.83 16.240128 -3.086586 -7.5912824 1 591 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 98.83 16.886827 -5.18844 -7.0474753 1 592 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 98.83 17.384779 -6.4496207 -7.3147554 1 593 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 98.83 17.504372 -7.2822866 -6.42317 1 594 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 98.83 17.736744 -6.6920853 -8.696116 1 595 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 98.83 18.29591 -8.027872 -9.088469 1 596 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 98.83 17.543518 -5.70362 -9.580515 1 597 +ATOM P P . DT B0 2 14 . 14 DT B0 P 98.83 17.848473 -0.07856526 -12.419523 1 598 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 98.44 19.11938 -0.66094536 -12.904709 1 599 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 98.44 17.220562 1.0624714 -13.142364 1 600 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 98.83 18.04038 0.35846603 -10.901701 1 601 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 98.83 16.905163 0.80665195 -10.170886 1 602 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 98.83 17.278751 1.095854 -8.726614 1 603 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 98.83 17.51529 -0.14262375 -8.010641 1 604 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 98.44 18.53196 1.940707 -8.528548 1 605 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 98.83 18.19492 2.9662137 -7.6070924 1 606 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 98.83 19.566372 0.9663971 -7.9603353 1 607 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 98.83 18.675507 -0.008590665 -7.20933 1 608 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 98.83 19.195972 -1.3847085 -6.96955 1 609 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 98.83 19.048672 -1.9230317 -5.709764 1 610 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 98.83 18.556871 -1.3205273 -4.7682457 1 611 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 98.83 19.493645 -3.2025366 -5.577387 1 612 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 98.83 20.064434 -3.9817314 -6.560031 1 613 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 98.83 20.42937 -5.130489 -6.3317895 1 614 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 98.83 20.192568 -3.3568528 -7.850935 1 615 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 98.83 20.80475 -4.113586 -8.993736 1 616 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 98.83 19.753716 -2.102787 -7.9925127 1 617 +ATOM P P . DA B0 2 15 . 15 DA B0 P 98.83 19.217457 4.0964985 -7.159339 1 618 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 98.83 20.448288 4.0175476 -7.989688 1 619 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 98.83 18.437374 5.3610506 -7.0900636 1 620 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 98.44 19.603682 3.667304 -5.6774664 1 621 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 98.83 18.593346 3.2753615 -4.7744255 1 622 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 98.44 19.197554 2.9029877 -3.438024 1 623 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 98.83 19.63636 1.5151043 -3.4589348 1 624 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 98.83 20.405758 3.730809 -3.0147166 1 625 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 98.83 20.201 4.131805 -1.6677713 1 626 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 98.44 21.588345 2.7694259 -3.1923094 1 627 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 98.83 20.94633 1.4099672 -2.9468122 1 628 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 98.83 21.559486 0.26321852 -3.6105444 1 629 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 98.83 21.960638 0.16698998 -4.9133034 1 630 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 98.83 22.44035 -1.0068398 -5.238074 1 631 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 98.83 22.34555 -1.7438629 -4.0626016 1 632 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 98.83 22.688965 -3.0728312 -3.746892 1 633 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 98.83 23.214466 -3.9279556 -4.620492 1 634 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 98.83 22.47068 -3.4919512 -2.4807749 1 635 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 98.83 21.944391 -2.6350598 -1.600811 1 636 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 98.83 21.579445 -1.365098 -1.7874258 1 637 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 98.83 21.807228 -0.97175825 -3.0560093 1 638 +ATOM P P . DT B0 2 16 . 16 DT B0 P 98.83 21.281033 4.9443254 -0.8254609 1 639 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 98.83 22.337576 5.460062 -1.7288773 1 640 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 98.83 20.556755 5.8743753 0.07536605 1 641 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 98.83 21.92143 3.7882934 0.0533154 1 642 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 98.44 21.078953 2.8689823 0.7378529 1 643 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 98.83 21.920214 1.9201345 1.5519872 1 644 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 98.83 22.38529 0.8191795 0.70701075 1 645 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 98.83 23.164602 2.5405166 2.172362 1 646 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 98.83 23.336193 2.0417438 3.4859934 1 647 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 98.83 24.294216 2.0475645 1.2646452 1 648 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 98.44 23.778206 0.6588365 0.901747 1 649 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 98.83 24.346554 0.0221819 -0.30962378 1 650 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 98.83 24.596031 -1.3342955 -0.26152223 1 651 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 98.83 24.37681 -2.026348 0.7233284 1 652 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 98.83 25.108692 -1.8712064 -1.4103832 1 653 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 98.83 25.383198 -1.1916314 -2.5795627 1 654 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 98.83 25.843174 -1.7852024 -3.5508263 1 655 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 98.83 25.098068 0.22718132 -2.561939 1 656 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 98.83 25.377224 1.0719732 -3.7857819 1 657 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 98.83 24.59449 0.7590221 -1.4397472 1 658 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 89.84 -19.76361 -6.0939693 7.6527157 1 659 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 93.36 -19.546196 -6.2697325 6.2106075 1 660 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 94.92 -20.341843 -5.3329754 5.328333 1 661 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 92.97 -20.234192 -5.3994565 4.0946975 1 662 +ATOM N N . SER C0 3 2 . 2 SER C0 N 92.97 -21.11052 -4.4424486 5.948159 1 663 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 94.92 -21.959614 -3.5226104 5.2069054 1 664 +ATOM C C . SER C0 3 2 . 2 SER C0 C 95.7 -21.307562 -2.1699107 4.9572144 1 665 +ATOM O O . SER C0 3 2 . 2 SER C0 O 93.36 -21.790092 -1.3955148 4.1265097 1 666 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 92.58 -23.291876 -3.324274 5.9457493 1 667 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 91.41 -23.098427 -2.7172987 7.21161 1 668 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 89.84 -20.19869 -1.9003112 5.652818 1 669 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 94.92 -19.500786 -0.6282941 5.4888496 1 670 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 96.48 -18.472422 -0.69268167 4.360002 1 671 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 94.92 -17.814674 -1.7167755 4.153147 1 672 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 91.8 -18.824017 -0.21231079 6.797338 1 673 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 91.8 -19.810919 0.07469798 7.943568 1 674 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 90.62 -19.160324 0.9143466 9.052567 1 675 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 89.84 -19.047848 2.3655155 8.645996 1 676 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 88.28 -18.496368 3.2227504 9.730349 1 677 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 91.41 -18.355204 0.38134235 3.6190443 1 678 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 95.31 -17.37115 0.49157202 2.5521638 1 679 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 96.88 -15.988605 0.24961913 3.1398144 1 680 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 95.31 -15.66488 0.7652269 4.2105284 1 681 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 92.58 -17.438879 1.8813107 1.9199457 1 682 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 92.58 -16.350323 2.1046505 0.8864181 1 683 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 91.8 -16.19375 3.5934918 0.5449023 1 684 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 90.62 -17.290745 4.073497 -0.38316256 1 685 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 89.45 -17.01293 5.4375496 -0.86536336 1 686 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 92.58 -15.186695 -0.5374184 2.4566092 1 687 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 96.88 -13.856657 -0.89098203 2.951855 1 688 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 98.05 -12.900936 0.2931496 2.8585334 1 689 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 97.27 -12.7295685 0.8740976 1.7832642 1 690 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 94.14 -13.310237 -2.0971155 2.1558144 1 691 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 93.75 -12.081003 -2.7339442 2.7696738 1 692 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 92.97 -11.398706 -3.6886997 1.762094 1 693 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 92.58 -12.207635 -4.9623528 1.4978943 1 694 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 91.41 -12.298493 -5.854717 2.6920414 1 695 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 96.88 -12.275646 0.63882643 3.981282 1 696 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 98.44 -11.3392105 1.7593954 4.043739 1 697 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 98.44 -10.14896 1.5486434 3.106896 1 698 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 98.44 -9.683539 0.4196174 2.9181156 1 699 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 97.66 -10.850312 1.995103 5.5006433 1 700 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 96.09 -10.089644 3.3198996 5.6074667 1 701 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 96.48 -9.981553 0.82992154 5.9684563 1 702 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 94.92 -9.751768 3.7294502 7.0483685 1 703 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 98.83 -9.6749115 2.6296153 2.5149708 1 704 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 98.83 -8.524169 2.5489767 1.6240883 1 705 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 98.83 -7.234837 2.729351 2.4120579 1 706 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 98.83 -7.237791 3.3822854 3.4698565 1 707 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 98.83 -8.634153 3.6181207 0.52571154 1 708 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 98.05 -10.02758 3.7343435 0.008482798 1 709 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 98.05 -10.243106 4.216153 -1.4240382 1 710 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 98.05 -9.054643 4.279939 -2.2519088 1 711 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 98.44 -9.055622 4.6687984 -3.5157084 1 712 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 97.27 -10.184159 5.0396395 -4.092308 1 713 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 97.27 -7.9185486 4.692198 -4.194899 1 714 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 98.83 -6.1444874 2.1760173 1.8942689 1 715 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 98.83 -4.8639812 2.2399185 2.5772228 1 716 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 98.83 -4.416479 3.6689584 2.8784633 1 717 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 98.83 -3.9840615 3.9663868 3.9965868 1 718 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 98.83 -3.783896 1.5103934 1.7629826 1 719 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 98.44 -2.3494406 1.5657203 2.3190227 1 720 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 98.83 -1.3923296 0.8713287 1.3549623 1 721 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 98.83 -2.2703533 0.94720304 3.7022045 1 722 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 98.44 -4.521592 4.5678825 1.8938708 1 723 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 98.83 -4.0678024 5.938939 2.1147351 1 724 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 98.44 -4.840116 6.633216 3.2270372 1 725 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 98.83 -4.279051 7.444927 3.9774857 1 726 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 98.44 -4.087164 6.765482 0.8156897 1 727 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 98.44 -5.453585 7.1468296 0.2923131 1 728 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 98.05 -6.0238485 6.4846883 -0.7834917 1 729 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 98.05 -6.1635504 8.205702 0.86244476 1 730 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 97.66 -7.2659016 6.849064 -1.2805798 1 731 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 98.05 -7.4069405 8.571974 0.37180436 1 732 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 98.05 -7.948982 7.887863 -0.69167614 1 733 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 97.66 -9.182278 8.251886 -1.1873164 1 734 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 98.83 -6.137888 6.3036585 3.3759348 1 735 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 98.83 -6.942459 6.885604 4.442834 1 736 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 98.44 -6.5417495 6.3303804 5.796411 1 737 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 98.44 -6.5098076 7.0508556 6.7912188 1 738 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 98.83 -8.431147 6.642317 4.20374 1 739 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 97.66 -9.1500635 7.8212733 3.5720487 1 740 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 97.66 -9.019655 9.091598 4.4005437 1 741 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 96.48 -8.959613 9.090549 5.6348495 1 742 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 96.88 -8.9643755 10.234746 3.7179213 1 743 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 98.83 -6.25099 5.0348196 5.840849 1 744 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 98.83 -5.800028 4.3710017 7.0596676 1 745 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 98.83 -4.5294905 5.037597 7.5816684 1 746 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 98.83 -4.416194 5.3501573 8.767997 1 747 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 98.44 -5.5440197 2.886288 6.7852254 1 748 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 98.83 -4.884701 2.1375663 7.911957 1 749 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 98.83 -3.5362 1.8060642 7.8522105 1 750 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 98.83 -5.6107426 1.7449492 9.024591 1 751 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 98.83 -2.9263432 1.1058137 8.88682 1 752 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 98.44 -5.0089903 1.0439228 10.060937 1 753 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 98.83 -3.6610851 0.7229921 9.993076 1 754 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 98.83 -3.586893 5.296082 6.6826878 1 755 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 98.83 -2.320611 5.917714 7.0521517 1 756 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 98.83 -2.4868953 7.3731537 7.473439 1 757 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 98.83 -1.9289691 7.802885 8.481741 1 758 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 98.83 -1.3233926 5.8194036 5.889696 1 759 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 98.44 -0.9523293 4.396657 5.456712 1 760 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 98.44 -0.053659685 4.4425526 4.2202873 1 761 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 98.44 -0.26541045 3.6594496 6.5987415 1 762 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 98.83 -3.2733998 8.122963 6.7117543 1 763 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 98.83 -3.5175095 9.527229 7.036618 1 764 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 98.83 -4.205268 9.644342 8.389839 1 765 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 98.83 -3.8468745 10.504581 9.205741 1 766 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 98.44 -4.368112 10.189323 5.9508476 1 767 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 98.05 -4.6635113 11.675453 6.1415663 1 768 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 97.66 -5.525258 12.18629 4.987317 1 769 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 98.05 -3.3714156 12.484908 6.237426 1 770 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 98.83 -5.174388 8.772801 8.647407 1 771 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 98.83 -5.880617 8.765869 9.9261875 1 772 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 98.83 -4.915492 8.521296 11.081699 1 773 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 98.44 -5.0131016 9.175375 12.123318 1 774 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 98.83 -6.979459 7.6939707 9.937994 1 775 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 98.83 -8.164734 8.040536 9.049164 1 776 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 98.44 -8.2065735 9.175023 8.514671 1 777 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 98.05 -9.062496 7.190271 8.875467 1 778 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 98.83 -3.9873638 7.5857725 10.906803 1 779 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 98.83 -2.9916248 7.29321 11.933687 1 780 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 98.83 -2.1326144 8.520664 12.228796 1 781 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 98.83 -1.8868266 8.858551 13.389235 1 782 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 98.44 -2.0729175 6.145088 11.50643 1 783 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 98.44 -2.5424147 4.701697 11.669597 1 784 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 98.44 -1.3238058 3.782124 11.5995865 1 785 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 98.44 -3.260464 4.509285 12.995094 1 786 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 98.83 -1.6627061 9.161736 11.161044 1 787 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 98.83 -0.7999891 10.326298 11.308411 1 788 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 98.83 -1.5076678 11.482496 12.005888 1 789 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 98.44 -0.90116787 12.191201 12.809231 1 790 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 98.83 -0.27760965 10.770479 9.938123 1 791 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 98.44 0.8576516 9.901948 9.381683 1 792 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 98.83 0.9989816 10.096465 7.8825727 1 793 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 98.44 2.1674092 10.217478 10.096345 1 794 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 98.83 -2.7881494 11.653671 11.718096 1 795 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 98.83 -3.5512462 12.737522 12.316106 1 796 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 98.83 -4.0198736 12.413868 13.737258 1 797 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 97.66 -4.2480154 13.32874 14.532322 1 798 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 98.83 -4.740424 13.110277 11.41897 1 799 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 98.44 -4.295829 13.799068 10.141901 1 800 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 98.05 -5.455581 14.173264 9.2317915 1 801 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 98.05 -4.978827 14.977456 8.107704 1 802 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 98.05 -5.736948 15.407078 7.0982504 1 803 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 97.66 -7.0300713 15.103757 7.0769453 1 804 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 97.66 -5.202059 16.127995 6.121315 1 805 +ATOM N N . SER C0 3 18 . 18 SER C0 N 98.83 -4.1600447 11.138637 14.040107 1 806 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 98.44 -4.549445 10.70269 15.389293 1 807 +ATOM C C . SER C0 3 18 . 18 SER C0 C 98.44 -3.353601 10.761009 16.330961 1 808 +ATOM O O . SER C0 3 18 . 18 SER C0 O 95.7 -3.459383 11.218999 17.46584 1 809 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 98.05 -5.073004 9.269335 15.366491 1 810 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 97.27 -5.9994516 9.07864 14.345524 1 811 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 98.44 -2.2363863 10.278646 15.851973 1 812 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 98.44 -1.0203911 10.248249 16.646698 1 813 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 98.05 -0.6633062 8.870628 17.171867 1 814 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 97.66 0.32371223 8.718028 17.888266 1 815 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 97.66 -1.4522789 7.8362327 16.855991 1 816 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 98.44 -1.1267765 6.483863 17.291521 1 817 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 98.44 -0.044967577 5.9145384 16.383228 1 818 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 98.05 0.12551628 6.3715844 15.243605 1 819 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 97.66 -2.3764966 5.594141 17.261768 1 820 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 97.27 -2.2430658 4.361328 18.132294 1 821 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 96.88 -1.2535079 4.2621837 18.903658 1 822 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 96.88 -3.123482 3.475572 18.073147 1 823 +ATOM N N . MET C0 3 21 . 21 MET C0 N 98.44 0.6750103 4.936875 16.873184 1 824 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 98.83 1.7548165 4.2751107 16.144703 1 825 +ATOM C C . MET C0 3 21 . 21 MET C0 C 98.83 2.8642678 5.237646 15.719778 1 826 +ATOM O O . MET C0 3 21 . 21 MET C0 O 98.83 3.4145057 5.1329136 14.623661 1 827 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 98.44 1.2125913 3.5325055 14.919233 1 828 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 98.44 0.058917094 2.6026988 15.239217 1 829 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 98.44 -0.07377539 1.2046592 14.091494 1 830 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 97.66 1.2319533 0.1506953 14.710487 1 831 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 98.44 3.224154 6.19104 16.620579 1 832 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 98.44 4.2961674 7.138481 16.337435 1 833 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 98.83 5.6491666 6.4422936 16.249962 1 834 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 98.44 6.6031275 6.9946566 15.706006 1 835 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 98.83 4.343583 8.237788 17.404354 1 836 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 98.05 3.1723654 9.19837 17.35123 1 837 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 98.05 3.3639178 10.330649 18.360048 1 838 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 97.66 2.1230268 11.190186 18.517006 1 839 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 96.88 1.91202 12.104265 17.349716 1 840 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 98.83 5.724971 5.2229204 16.811916 1 841 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 98.83 6.942089 4.4235816 16.714554 1 842 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 98.83 7.1033063 3.8650675 15.301367 1 843 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 98.44 8.210077 3.5318913 14.886834 1 844 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 98.83 6.90854 3.2533174 17.701302 1 845 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 98.44 7.0529532 3.6914854 19.14324 1 846 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 97.66 7.996683 4.455162 19.441128 1 847 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 97.66 6.222164 3.2791023 19.980967 1 848 +ATOM N N . SER C0 3 24 . 24 SER C0 N 98.83 5.9853363 3.7613132 14.595552 1 849 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 98.83 5.957815 3.1355357 13.274083 1 850 +ATOM C C . SER C0 3 24 . 24 SER C0 C 98.83 5.9252505 4.1225605 12.107716 1 851 +ATOM O O . SER C0 3 24 . 24 SER C0 O 98.83 6.5094614 3.8532524 11.05555 1 852 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 98.83 4.7459955 2.2046292 13.15498 1 853 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 98.05 4.7246675 1.2532785 14.215046 1 854 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 98.83 5.237774 5.2537317 12.288192 1 855 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 98.83 5.061194 6.2167583 11.215849 1 856 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 98.83 4.935519 7.63603 11.766336 1 857 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 98.83 4.3385043 7.847369 12.824402 1 858 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 98.44 3.8298304 5.8601856 10.348111 1 859 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 98.44 3.7354965 6.757468 9.113018 1 860 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 98.83 2.5415213 5.943926 11.174327 1 861 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 98.44 2.6356394 6.3408813 8.1317215 1 862 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 98.83 5.5013976 8.613146 11.067284 1 863 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 98.83 5.4766073 10.006945 11.52551 1 864 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 98.83 5.583847 10.95674 10.346222 1 865 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 98.83 5.9960217 10.58115 9.24677 1 866 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 98.83 6.6491117 10.281393 12.481152 1 867 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 98.83 7.975034 9.846258 11.918076 1 868 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 98.83 8.769295 10.520966 11.041785 1 869 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 98.83 8.654137 8.6067295 12.173993 1 870 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 98.83 9.892461 9.785496 10.744264 1 871 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 98.83 9.841169 8.603759 11.42976 1 872 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 98.83 8.362631 7.5059624 12.97904 1 873 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 98.83 10.750391 7.559357 11.445501 1 874 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 98.83 9.262262 6.4566445 13.0015135 1 875 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 98.83 10.439004 6.476556 12.242783 1 876 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 98.83 5.1992397 12.222625 10.594552 1 877 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 98.83 5.349535 13.248015 9.584074 1 878 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 98.44 6.8111086 13.67708 9.496647 1 879 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 98.83 7.4490767 13.928652 10.521411 1 880 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 98.83 4.5148745 14.494181 9.930277 1 881 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 98.83 3.0270824 14.33508 9.852048 1 882 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 98.83 2.140956 14.394934 10.8866205 1 883 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 98.83 2.232417 14.13879 8.671228 1 884 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 98.44 0.85363424 14.237447 10.434996 1 885 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 98.83 0.8762671 14.072699 9.072329 1 886 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 98.83 2.5440722 13.995319 7.308832 1 887 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 98.83 -0.1674521 13.892239 8.169193 1 888 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 98.83 1.4988571 13.802496 6.411076 1 889 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 98.44 0.16539147 13.743511 6.8476915 1 890 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 98.83 7.314901 13.791189 8.27096 1 891 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 98.83 8.6592865 14.317754 8.041922 1 892 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 98.44 8.520881 15.807962 7.7485857 1 893 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 98.83 9.298819 16.627518 8.224335 1 894 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 98.44 9.343658 13.605293 6.857375 1 895 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 97.66 10.614196 14.3486 6.453348 1 896 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 97.27 9.67229 12.163866 7.2349453 1 897 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 98.44 7.48548 16.138838 6.9811254 1 898 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 98.83 7.1476793 17.520967 6.654378 1 899 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 98.83 5.6260576 17.569542 6.5471087 1 900 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 98.44 5.05869 17.257198 5.5035467 1 901 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 98.83 7.804433 17.932024 5.3359904 1 902 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 98.83 7.6126595 19.403713 5.0049605 1 903 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 98.44 6.617298 20.000895 5.467105 1 904 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 98.44 8.454614 19.96599 4.2704773 1 905 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 98.83 4.9902544 17.95066 7.6526012 1 906 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 98.44 3.5436091 17.923912 7.7675037 1 907 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 98.83 2.8230746 18.789711 6.7399216 1 908 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 98.44 1.8290367 18.369259 6.150782 1 909 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 98.83 3.1332722 18.338467 9.182343 1 910 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 97.66 1.6683793 18.150333 9.499062 1 911 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 98.05 1.4151645 18.506245 10.954016 1 912 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 97.66 -0.053349223 18.341982 11.321937 1 913 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 96.48 -0.27314758 18.660074 12.747843 1 914 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 98.83 3.329431 19.985727 6.526038 1 915 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 98.44 2.7202783 20.907196 5.5807285 1 916 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 98.05 2.787882 20.409418 4.137991 1 917 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 96.88 1.9123945 20.706078 3.3357081 1 918 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 98.05 3.3757956 22.292542 5.6772957 1 919 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 98.05 3.1908665 22.934032 7.0335994 1 920 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 97.27 2.032169 22.985485 7.512831 1 921 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 97.66 4.191841 23.37241 7.628506 1 922 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 98.44 3.8325932 19.652401 3.8352873 1 923 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 98.83 4.0117474 19.117287 2.492879 1 924 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 98.83 3.3715596 17.734291 2.3385687 1 925 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 98.44 3.2192793 17.23603 1.2181189 1 926 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 98.44 5.498366 19.043903 2.1482816 1 927 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 98.05 5.7638097 18.89821 0.6546636 1 928 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 97.66 7.217617 19.185287 0.30791044 1 929 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 97.27 7.432138 19.247276 -1.1962552 1 930 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 95.7 6.554251 20.278526 -1.8371074 1 931 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 98.44 2.9891217 17.126934 3.457257 1 932 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 98.83 2.3696332 15.811782 3.4316578 1 933 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 98.83 3.3637843 14.668269 3.3337452 1 934 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 98.83 3.00847 13.565847 2.9119802 1 935 +ATOM N N . THR C0 3 34 . 34 THR C0 N 98.83 4.5976505 14.9275 3.7397294 1 936 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 98.83 5.642762 13.917332 3.656299 1 937 +ATOM C C . THR C0 3 34 . 34 THR C0 C 98.83 5.735698 13.133285 4.961301 1 938 +ATOM O O . THR C0 3 34 . 34 THR C0 O 98.44 5.809029 13.726313 6.037013 1 939 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 98.44 7.0143747 14.559299 3.3529515 1 940 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 98.05 6.894782 15.361527 2.1735349 1 941 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 98.44 8.069784 13.489466 3.1282964 1 942 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 98.83 5.6978064 11.801573 4.8605657 1 943 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 98.83 5.743395 10.946848 6.0409427 1 944 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 98.83 6.7452393 9.814977 5.8555293 1 945 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 98.44 7.184693 9.530829 4.747798 1 946 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 98.44 4.3477526 10.391847 6.358468 1 947 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 98.83 3.7449567 9.559753 5.24968 1 948 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 98.83 3.1257052 10.163797 4.163376 1 949 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 98.83 3.7894268 8.172083 5.3008947 1 950 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 98.83 2.56457 9.396154 3.1427226 1 951 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 98.83 3.2300258 7.403177 4.287836 1 952 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 98.83 2.6184902 8.015232 3.209814 1 953 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 98.83 7.1176147 9.185066 6.9735394 1 954 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 98.83 8.138391 8.144432 6.925411 1 955 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 98.83 7.8516326 6.988558 7.878847 1 956 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 98.83 7.3197646 7.1952753 8.9692545 1 957 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 98.83 9.499155 8.749464 7.257679 1 958 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 98.05 10.673191 7.7829576 7.156184 1 959 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 98.83 12.019264 8.480225 7.2558894 1 960 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 97.66 12.72294 8.675219 6.264454 1 961 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 97.66 12.364536 8.901232 8.4654045 1 962 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 98.83 8.191847 5.775283 7.438364 1 963 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 98.83 8.025433 4.583016 8.255203 1 964 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 98.83 9.31011 4.279752 9.024444 1 965 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 98.83 10.400593 4.5778894 8.5585375 1 966 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 98.44 7.6901875 3.3638957 7.3841276 1 967 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 98.83 6.3595448 3.440011 6.697975 1 968 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 98.83 6.280798 3.7437696 5.343462 1 969 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 98.83 5.1876345 3.2076523 7.403924 1 970 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 98.83 5.05044 3.8190875 4.699934 1 971 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 98.83 3.951605 3.2798748 6.7692046 1 972 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 98.83 3.8798904 3.5823934 5.4181967 1 973 +ATOM N N . SER C0 3 38 . 38 SER C0 N 98.83 9.162398 3.6753752 10.194458 1 974 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 98.83 10.315151 3.2407463 10.989236 1 975 +ATOM C C . SER C0 3 38 . 38 SER C0 C 98.44 10.828846 1.9073938 10.446909 1 976 +ATOM O O . SER C0 3 38 . 38 SER C0 O 98.44 10.035086 1.0319622 10.10344 1 977 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 98.83 9.911025 3.0706708 12.452436 1 978 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 98.44 10.841244 2.2584977 13.145389 1 979 +ATOM N N . SER C0 3 39 . 39 SER C0 N 98.83 12.131437 1.7379408 10.388924 1 980 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 98.44 12.717536 0.46786064 9.954341 1 981 +ATOM C C . SER C0 3 39 . 39 SER C0 C 98.83 12.31467 -0.6699023 10.891306 1 982 +ATOM O O . SER C0 3 39 . 39 SER C0 O 98.44 11.9293375 -1.7496526 10.440396 1 983 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 98.44 14.241335 0.5616845 9.910154 1 984 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 98.05 14.666631 1.4009013 8.843595 1 985 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 98.83 12.383593 -0.4103733 12.197932 1 986 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 98.44 12.133472 -1.4451028 13.197126 1 987 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 98.44 10.659768 -1.7155864 13.500524 1 988 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 98.44 10.3236885 -2.8122652 13.948008 1 989 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 98.44 12.871617 -1.1133003 14.500277 1 990 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 98.44 14.382077 -1.211498 14.375527 1 991 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 98.44 15.07036 -0.97931683 15.712547 1 992 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 98.44 16.57883 -1.1381018 15.570601 1 993 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 97.66 17.282848 -0.95147026 16.871696 1 994 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 98.83 9.795766 -0.74999803 13.287062 1 995 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 98.83 8.401776 -0.91503865 13.684181 1 996 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 98.83 7.374303 -0.88497025 12.553881 1 997 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 98.44 6.174389 -0.8702482 12.807348 1 998 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 98.44 8.037462 0.13542034 14.74654 1 999 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 98.44 8.92791 0.088004455 15.947008 1 1000 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 98.05 9.981961 0.9685925 16.128891 1 1001 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 98.44 8.948502 -0.73399335 17.019733 1 1002 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 98.44 10.612118 0.67213184 17.262936 1 1003 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 98.44 9.9932165 -0.36624536 17.81711 1 1004 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 98.83 7.84294 -0.88894683 11.317774 1 1005 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 98.83 6.9356174 -0.8444606 10.170553 1 1006 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 98.83 6.062941 -2.086442 10.031124 1 1007 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 98.83 4.9241905 -1.9917066 9.566549 1 1008 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 98.83 7.7147565 -0.6090579 8.87176 1 1009 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 98.44 8.754999 -1.6603014 8.564188 1 1010 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 98.44 9.544218 -1.2598193 7.3161926 1 1011 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 98.44 10.579444 -2.3081305 6.905273 1 1012 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 98.44 11.678876 -2.4083555 7.8598223 1 1013 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 98.83 6.5648575 -3.2371552 10.445715 1 1014 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 98.83 5.8021193 -4.473977 10.345965 1 1015 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 98.83 4.572427 -4.4743433 11.250919 1 1016 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 98.44 3.5395427 -5.03942 10.887891 1 1017 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 98.44 6.683322 -5.688446 10.659343 1 1018 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 98.44 7.859317 -5.897564 9.693741 1 1019 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 98.83 7.428803 -6.23947 8.272688 1 1020 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 98.44 8.294415 -6.217564 7.371791 1 1021 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 98.44 6.2246437 -6.519421 8.054012 1 1022 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 98.83 4.686281 -3.8471634 12.41316 1 1023 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 98.83 3.5578635 -3.759457 13.338051 1 1024 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 98.83 2.4005327 -2.9905047 12.689646 1 1025 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 98.83 1.2403685 -3.399095 12.78027 1 1026 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 98.83 3.9798908 -3.0767908 14.631077 1 1027 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 98.83 2.7284622 -1.8970842 12.035086 1 1028 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 98.83 1.721228 -1.098118 11.357819 1 1029 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 98.83 1.0948563 -1.8667357 10.190365 1 1030 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 98.83 -0.11822525 -1.85137 10.012852 1 1031 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 98.83 2.326088 0.22066742 10.868856 1 1032 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 98.05 1.3589586 1.2442701 10.268247 1 1033 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 97.27 1.8820007 2.6538622 10.507385 1 1034 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 98.05 1.1192183 1.0001751 8.795856 1 1035 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 98.83 1.9436707 -2.5390184 9.415176 1 1036 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 98.44 1.460123 -3.314942 8.280176 1 1037 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 98.83 0.51623464 -4.422407 8.739648 1 1038 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 98.83 -0.51704 -4.6708593 8.118605 1 1039 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 98.44 2.6373477 -3.910141 7.505986 1 1040 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 98.83 0.87056404 -5.073268 9.830549 1 1041 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 98.83 0.04204649 -6.1447277 10.377724 1 1042 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 98.83 -1.3231348 -5.613326 10.801017 1 1043 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 98.83 -2.3489456 -6.2447205 10.549887 1 1044 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 98.83 0.7503288 -6.8269014 11.554943 1 1045 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 98.83 0.05987873 -8.084431 12.004057 1 1046 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 97.66 0.2692922 -8.649511 13.252258 1 1047 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 98.44 -0.82754064 -8.889355 11.385389 1 1048 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 98.05 -0.45941716 -9.745693 13.362764 1 1049 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 98.44 -1.1466837 -9.916336 12.248321 1 1050 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 98.83 -1.3571768 -4.4360504 11.429626 1 1051 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 98.83 -2.6191278 -3.8399 11.828245 1 1052 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 98.83 -3.486203 -3.5597682 10.601211 1 1053 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 98.83 -4.6959915 -3.751282 10.628198 1 1054 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 98.83 -2.3969984 -2.54152 12.602489 1 1055 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 98.05 -3.7101364 -1.8148586 12.879272 1 1056 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 98.44 -3.4943178 -0.4270605 13.410096 1 1057 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 98.44 -3.4850173 -0.39179474 14.852835 1 1058 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 98.44 -3.4392614 0.72718525 15.570259 1 1059 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 97.27 -3.431755 0.6550932 16.886303 1 1060 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 97.27 -3.424983 1.8967503 14.9724865 1 1061 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 98.83 -2.850872 -3.1228218 9.535121 1 1062 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 98.83 -3.5739605 -2.8667595 8.287367 1 1063 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 98.83 -4.2297945 -4.161804 7.80281 1 1064 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 98.44 -5.3985386 -4.156955 7.4111824 1 1065 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 98.83 -2.611685 -2.3252125 7.2253656 1 1066 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 98.83 -3.1707883 -2.2169492 5.8334494 1 1067 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 98.83 -2.6321697 -2.7367644 4.6937895 1 1068 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 98.83 -4.3783603 -1.5470177 5.4279346 1 1069 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 98.83 -3.4075851 -2.4361238 3.6105301 1 1070 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 98.83 -4.492238 -1.7058144 4.0251975 1 1071 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 98.83 -5.3672247 -0.8314092 6.103016 1 1072 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 98.83 -5.5581636 -1.1736577 3.2951179 1 1073 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 98.83 -6.433983 -0.30418256 5.377334 1 1074 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 98.83 -6.511272 -0.48352522 3.9874377 1 1075 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 98.83 -3.498894 -5.263574 7.8613997 1 1076 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 98.83 -4.0379314 -6.551665 7.4453363 1 1077 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 98.83 -5.2057924 -7.0059433 8.298981 1 1078 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 98.83 -6.193103 -7.537806 7.785475 1 1079 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 98.83 -5.1003637 -6.8054047 9.610655 1 1080 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 98.83 -6.1745963 -7.176693 10.535801 1 1081 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 98.83 -7.442518 -6.402151 10.182954 1 1082 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 98.44 -8.527639 -6.96812 10.105572 1 1083 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 98.83 -5.7708664 -6.875181 11.995785 1 1084 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 98.05 -4.5958066 -7.763211 12.414944 1 1085 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 98.05 -6.9616346 -7.088544 12.928312 1 1086 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 97.66 -3.9687948 -7.35905 13.745628 1 1087 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 98.83 -7.284616 -5.111212 9.966518 1 1088 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 98.44 -8.410875 -4.2520175 9.637722 1 1089 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 98.83 -9.103957 -4.6692576 8.336128 1 1090 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 98.44 -10.333065 -4.6580734 8.252249 1 1091 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 98.44 -7.949717 -2.8047752 9.536071 1 1092 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 98.05 -9.081407 -1.8417947 9.220847 1 1093 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 98.44 -8.735726 -0.41118357 9.585702 1 1094 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 97.66 -7.809063 -0.14994617 10.362911 1 1095 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 97.66 -9.486437 0.52921784 9.033908 1 1096 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 98.83 -8.326716 -5.0276375 7.332638 1 1097 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 98.44 -8.87928 -5.44432 6.0408382 1 1098 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 98.44 -9.455002 -6.8680654 6.0654507 1 1099 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 96.88 -10.189873 -7.249647 5.145715 1 1100 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 98.44 -7.8179913 -5.3509398 4.9526763 1 1101 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 98.44 -7.413252 -3.927086 4.5747385 1 1102 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 98.05 -8.518822 -3.1995816 3.8144195 1 1103 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 98.44 -8.855309 -3.8161452 2.448872 1 1104 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 98.44 -7.9014254 -3.3656044 1.4362004 1 1105 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 98.44 -9.143852 -7.631886 7.086131 1 1106 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 98.44 -9.621742 -9.004537 7.174544 1 1107 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 98.05 -8.98208 -9.915678 6.1440744 1 1108 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 96.88 -9.629852 -10.8428955 5.6530685 1 1109 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 98.44 -7.721782 -9.651411 5.8219047 1 1110 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 98.44 -6.99467 -10.471064 4.856285 1 1111 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 98.05 -6.8006573 -11.871792 5.416469 1 1112 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 95.7 -6.678151 -12.037159 6.6311216 1 1113 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 98.05 -5.6197457 -9.858438 4.547033 1 1114 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 98.44 -5.72233 -8.521222 3.8389368 1 1115 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 97.27 -4.7785683 -7.719411 3.8538122 1 1116 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 97.66 -6.8577538 -8.261301 3.1952379 1 1117 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 98.44 -6.778842 -12.876795 4.5239177 1 1118 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 98.44 -6.6056833 -14.251395 5.013048 1 1119 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 98.83 -5.168153 -14.508696 5.455797 1 1120 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 98.05 -4.9312706 -15.229852 6.4180565 1 1121 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 98.05 -7.069251 -15.265452 3.9473839 1 1122 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 97.66 -5.9980583 -15.80666 3.0215018 1 1123 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 97.66 -6.549162 -17.05548 2.2546618 1 1124 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 97.27 -7.3416643 -17.927135 3.1260502 1 1125 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 97.27 -6.9196773 -19.05088 3.6906316 1 1126 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 96.48 -7.694826 -19.728603 4.5200863 1 1127 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 96.09 -5.690424 -19.496758 3.446806 1 1128 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 98.05 -4.229793 -13.895472 4.7678175 1 1129 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 98.44 -2.817293 -14.026874 5.1356196 1 1130 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 98.44 -2.3342655 -12.805887 5.8985143 1 1131 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 98.05 -2.9777608 -11.758972 5.885036 1 1132 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 98.05 -1.950712 -14.229593 3.8906426 1 1133 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 98.05 -2.19044 -15.539381 3.1580765 1 1134 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 98.05 -1.0689133 -15.818786 2.1508574 1 1135 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 97.66 0.19697237 -16.239246 2.8636613 1 1136 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 96.88 1.2742634 -16.662193 1.9256642 1 1137 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 98.44 -1.2002466 -12.934511 6.5527744 1 1138 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 98.83 -0.62272644 -11.840914 7.3176394 1 1139 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 98.83 -0.073042504 -10.76115 6.3865414 1 1140 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 98.83 0.5725254 -11.072523 5.3833203 1 1141 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 98.44 0.4928977 -12.357784 8.226042 1 1142 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 98.44 1.046896 -11.307113 9.172591 1 1143 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 98.44 2.19326 -11.8776045 10.001712 1 1144 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 97.66 2.821412 -10.792024 10.868227 1 1145 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 97.27 4.0071707 -11.28495 11.615123 1 1146 +ATOM N N . MET C0 3 59 . 59 MET C0 N 98.83 -0.35011888 -9.5006695 6.728771 1 1147 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 98.83 0.14410669 -8.378437 5.933196 1 1148 +ATOM C C . MET C0 3 59 . 59 MET C0 C 98.83 1.5560875 -8.026466 6.3692923 1 1149 +ATOM O O . MET C0 3 59 . 59 MET C0 O 98.83 1.857138 -8.001491 7.5621243 1 1150 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 98.83 -0.78463554 -7.1578803 6.107485 1 1151 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 98.44 -0.32014155 -5.8994036 5.3666124 1 1152 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 98.83 -0.18874364 -6.091803 3.5665054 1 1153 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 97.66 -1.8995609 -6.462389 3.1387355 1 1154 +ATOM N N . THR C0 3 60 . 60 THR C0 N 98.83 2.4268582 -7.773347 5.4003086 1 1155 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 98.44 3.802775 -7.3900795 5.6695786 1 1156 +ATOM C C . THR C0 3 60 . 60 THR C0 C 98.83 4.043709 -5.9930887 5.1068172 1 1157 +ATOM O O . THR C0 3 60 . 60 THR C0 O 98.83 3.2766812 -5.5114155 4.2730436 1 1158 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 98.83 4.805324 -8.345011 5.0002737 1 1159 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 98.44 4.6296015 -8.273405 3.5759676 1 1160 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 98.83 4.591173 -9.780932 5.4684424 1 1161 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 98.44 5.1134853 -5.3498564 5.5619674 1 1162 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 98.83 5.438754 -4.033626 5.023535 1 1163 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 98.83 5.7069206 -4.126441 3.5164104 1 1164 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 98.83 5.3170447 -3.2361677 2.7513258 1 1165 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 98.44 6.65054 -3.409737 5.72631 1 1166 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 98.83 7.057385 -2.1132834 5.0604343 1 1167 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 98.83 8.1254425 -2.0644314 4.164135 1 1168 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 98.83 6.335771 -0.9451576 5.276709 1 1169 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 98.83 8.46052 -0.8850912 3.5108519 1 1170 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 98.83 6.665864 0.2373686 4.629345 1 1171 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 98.83 7.7265797 0.25659347 3.7485738 1 1172 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 98.44 8.05254 1.4231997 3.0986645 1 1173 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 98.83 6.3540773 -5.2007494 3.098754 1 1174 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 98.83 6.6805663 -5.3809404 1.6926305 1 1175 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 98.83 5.426468 -5.3292255 0.8125466 1 1176 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 98.44 5.4091787 -4.6564913 -0.21953455 1 1177 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 98.83 7.4073396 -6.7067432 1.4888214 1 1178 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 98.05 8.03512 -6.8415112 0.102960676 1 1179 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 98.44 8.882696 -8.084894 -0.041592766 1 1180 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 97.66 8.353902 -9.186189 -0.21516782 1 1181 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 97.66 10.19929 -7.928134 0.052174818 1 1182 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 98.44 4.371149 -6.0482054 1.2223258 1 1183 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 98.83 3.1195488 -6.045347 0.47165865 1 1184 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 98.83 2.3924885 -4.7136097 0.5703949 1 1185 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 98.44 1.762933 -4.2684627 -0.3930792 1 1186 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 98.83 2.2176356 -7.2025185 0.9244454 1 1187 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 98.83 2.6940382 -8.571391 0.4400461 1 1188 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 98.83 1.6682241 -9.675256 0.7109233 1 1189 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 98.44 1.5375973 -9.980131 2.2115724 1 1190 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 98.44 0.5792427 -11.068929 2.4563196 1 1191 +ATOM N N . MET C0 3 64 . 64 MET C0 N 98.83 2.4536924 -4.068986 1.7286574 1 1192 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 98.83 1.8136632 -2.773982 1.889579 1 1193 +ATOM C C . MET C0 3 64 . 64 MET C0 C 98.83 2.4947503 -1.7449708 0.9855195 1 1194 +ATOM O O . MET C0 3 64 . 64 MET C0 O 98.83 1.828099 -0.9189981 0.3601926 1 1195 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 98.83 1.8648422 -2.3066297 3.3465066 1 1196 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 98.05 0.98457515 -1.0779991 3.6003227 1 1197 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 98.44 0.8932351 -0.61207414 5.34842 1 1198 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 97.66 2.5581293 -0.026426405 5.6194897 1 1199 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 98.83 3.8295054 -1.8347204 0.9042479 1 1200 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 98.83 4.585576 -0.93562084 0.038390584 1 1201 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 98.44 4.2488694 -1.1801616 -1.427212 1 1202 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 98.44 4.1904855 -0.23894294 -2.224419 1 1203 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 98.44 6.0844927 -1.1182382 0.26583397 1 1204 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 98.83 4.0189347 -2.453731 -1.7948444 1 1205 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 98.83 3.6107748 -2.7929845 -3.1543021 1 1206 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 98.83 2.300497 -2.0711794 -3.4976313 1 1207 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 98.44 2.1704938 -1.4934013 -4.5904474 1 1208 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 98.83 3.4510756 -4.320892 -3.2865987 1 1209 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 98.44 2.7909038 -4.819113 -4.588913 1 1210 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 98.44 3.7644627 -4.911817 -5.77044 1 1211 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 98.83 3.6235735 -3.713191 -6.5961614 1 1212 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 98.83 3.087438 -3.6891565 -7.791919 1 1213 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 98.44 2.9977849 -2.5409777 -8.436099 1 1214 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 98.44 2.6103115 -4.810063 -8.349398 1 1215 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 98.83 1.3593024 -2.0846455 -2.574551 1 1216 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 98.83 0.080286875 -1.409245 -2.7693186 1 1217 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 98.83 0.27282226 0.10916692 -2.8179805 1 1218 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 98.83 -0.3362664 0.8058847 -3.634623 1 1219 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 98.44 -0.88919014 -1.7804334 -1.6556833 1 1220 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 98.83 1.1441579 0.6023252 -1.9193072 1 1221 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 98.83 1.4524096 2.0255818 -1.8553371 1 1222 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 98.83 2.0469697 2.5270627 -3.1707718 1 1223 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 98.44 1.704703 3.6119375 -3.64393 1 1224 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 98.83 2.4568632 2.2550724 -0.72221327 1 1225 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 98.44 2.2148483 3.2505183 0.42162898 1 1226 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 98.05 2.888036 2.6967478 1.6686859 1 1227 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 98.05 0.7709745 3.5743523 0.64707386 1 1228 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 98.83 2.921586 1.7072 -3.7661939 1 1229 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 98.83 3.5417466 2.0802374 -5.040118 1 1230 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 98.83 2.5136242 2.3110216 -6.1377096 1 1231 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 98.05 2.7006452 3.173847 -6.9969683 1 1232 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 98.44 4.5322075 1.0099238 -5.4941654 1 1233 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 97.66 5.955699 1.2533028 -5.053667 1 1234 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 98.44 6.953088 0.3605312 -5.795578 1 1235 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 98.44 6.647689 -1.0559504 -5.791446 1 1236 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 98.83 6.9154177 -1.8996781 -4.790612 1 1237 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 98.44 7.4891663 -1.4643238 -3.6805258 1 1238 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 98.44 6.609625 -3.1863387 -4.898986 1 1239 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 98.83 1.4147607 1.5553892 -6.10173 1 1240 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 98.83 0.37113336 1.7117193 -7.106189 1 1241 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 98.83 -0.29764903 3.084673 -7.0325985 1 1242 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 98.44 -0.85071445 3.5618036 -8.021473 1 1243 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 98.44 -0.6853222 0.6022261 -6.9754744 1 1244 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 98.44 -0.17361623 -0.75130165 -7.449904 1 1245 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 98.05 -0.7279012 -1.8010638 -7.104219 1 1246 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 98.05 0.8889493 -0.74170136 -8.240538 1 1247 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 98.44 -0.24455938 3.7223892 -5.8616023 1 1248 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 98.83 -0.8005173 5.0605097 -5.7102475 1 1249 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 98.44 -0.0011756876 6.0949016 -6.51173 1 1250 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 98.44 -0.49864644 7.184719 -6.790353 1 1251 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 98.83 -0.8413661 5.477895 -4.2413445 1 1252 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 98.83 -1.9380863 4.8364267 -3.4324267 1 1253 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 98.44 -1.6813881 4.333599 -2.1597362 1 1254 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 98.83 -3.2503889 4.781333 -3.9007635 1 1255 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 98.83 -2.6882458 3.7780821 -1.3864421 1 1256 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 98.44 -4.264746 4.2235475 -3.1378875 1 1257 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 98.83 -3.975494 3.7287316 -1.8812822 1 1258 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 98.83 -4.964531 3.187548 -1.1124547 1 1259 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 98.44 1.2229912 5.728594 -6.8800535 1 1260 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 98.44 2.0345664 6.6130342 -7.7037354 1 1261 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 98.44 1.4426022 6.750063 -9.093302 1 1262 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 97.66 1.5655309 7.7980857 -9.735402 1 1263 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 98.83 0.7817945 5.68826 -9.548206 1 1264 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 98.44 0.13993642 5.6903973 -10.860891 1 1265 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 98.44 -1.1859463 6.453664 -10.834953 1 1266 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 97.66 -1.6000501 7.01664 -11.849628 1 1267 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 98.44 -0.10398033 4.262738 -11.338593 1 1268 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 98.05 1.1706398 3.4497805 -11.538221 1 1269 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 98.44 1.7410996 3.6647294 -12.929026 1 1270 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 98.05 0.78616726 3.1763365 -14.017387 1 1271 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 97.66 1.439748 3.0581186 -15.330235 1 1272 +ATOM N N . THR C0 3 74 . 74 THR C0 N 98.83 -1.8603165 6.435073 -9.676501 1 1273 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 98.83 -3.169298 7.0695553 -9.541528 1 1274 +ATOM C C . THR C0 3 74 . 74 THR C0 C 98.44 -3.1303616 8.394719 -8.778442 1 1275 +ATOM O O . THR C0 3 74 . 74 THR C0 O 97.66 -4.1493406 9.079994 -8.672564 1 1276 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 98.05 -4.1790075 6.115019 -8.867596 1 1277 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 97.66 -3.6373005 5.6553617 -7.622921 1 1278 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 97.27 -4.4490957 4.9032145 -9.761061 1 1279 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 98.44 -1.963509 8.75399 -8.252621 1 1280 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 98.83 -1.7423916 10.07032 -7.6921034 1 1281 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 98.44 -2.0839243 10.355595 -6.239603 1 1282 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 98.05 -1.9458722 11.496239 -5.7948136 1 1283 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 98.44 -2.529193 9.358384 -5.459298 1 1284 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 98.83 -2.8848732 9.602123 -4.060441 1 1285 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 98.83 -1.6492823 9.73763 -3.1740537 1 1286 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 98.44 -1.6326327 10.553202 -2.2382574 1 1287 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 98.83 -3.7968302 8.495146 -3.5193944 1 1288 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 98.44 -5.1751604 8.437235 -4.192608 1 1289 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 98.83 -5.20645 7.4375305 -5.337219 1 1290 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 98.44 -4.1430693 7.1517487 -5.937703 1 1291 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 98.05 -6.291198 6.925574 -5.6489115 1 1292 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 98.83 -0.64077795 8.936731 -3.4252534 1 1293 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 98.44 0.6142269 8.943069 -2.678501 1 1294 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 98.83 1.7623367 8.728793 -3.6544185 1 1295 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 98.83 1.6295186 7.9576674 -4.604271 1 1296 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 98.83 0.65536356 7.8168488 -1.6166584 1 1297 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 98.05 1.9990232 7.799412 -0.8914819 1 1298 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 98.44 -0.4784107 7.9774723 -0.6083145 1 1299 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 98.44 2.8669338 9.40958 -3.4382563 1 1300 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 98.83 4.048957 9.232221 -4.2744837 1 1301 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 98.83 5.250621 8.887533 -3.4148169 1 1302 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 98.44 5.326917 9.295329 -2.2545671 1 1303 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 98.44 4.31939 10.486109 -5.093668 1 1304 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 98.05 3.2404807 10.757671 -6.1220193 1 1305 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 97.27 3.601417 11.92702 -7.011639 1 1306 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 97.66 2.5055683 12.160006 -8.039629 1 1307 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 96.48 2.8376565 13.320609 -8.924655 1 1308 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 98.83 6.171789 8.144599 -3.983562 1 1309 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 98.83 7.4016724 7.785982 -3.2970836 1 1310 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 98.44 8.33799 8.98423 -3.3367434 1 1311 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 98.44 8.432732 9.646096 -4.3664002 1 1312 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 98.83 8.061438 6.5936894 -3.9927354 1 1313 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 98.44 9.306415 6.050345 -3.30495 1 1314 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 98.05 8.999109 5.5185804 -1.90966 1 1315 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 98.44 10.225941 4.8552527 -1.2705986 1 1316 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 98.05 10.334604 5.2039976 0.16235428 1 1317 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 98.83 9.006248 9.316179 -2.2080636 1 1318 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 98.44 10.047752 10.335129 -2.2737274 1 1319 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 98.44 11.387936 9.620382 -2.1789868 1 1320 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 98.05 11.48661 8.54503 -1.5999377 1 1321 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 98.44 9.870026 11.50347 -1.2437799 1 1322 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 98.05 8.541967 11.433796 -0.54951215 1 1323 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 98.05 11.034586 11.562498 -0.25200605 1 1324 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 98.44 12.397821 10.198403 -2.8038564 1 1325 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 98.44 13.695489 9.545099 -2.911756 1 1326 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 98.44 14.469385 9.582188 -1.606112 1 1327 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 97.66 15.541298 10.162399 -1.5014955 1 1328 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 98.05 14.508476 10.15584 -4.080372 1 1329 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 98.05 13.884169 9.83733 -5.4148817 1 1330 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 97.66 13.842144 11.059995 -6.3774014 1 1331 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 96.88 13.310588 12.31768 -5.6879244 1 1332 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 96.88 11.864243 12.251034 -5.2817826 1 1333 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 98.44 13.8625 8.969141 -0.58211416 1 1334 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 98.44 14.465323 8.85664 0.73360217 1 1335 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 98.83 13.944717 7.5520096 1.3263814 1 1336 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 98.44 12.779364 7.194344 1.1276449 1 1337 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 98.44 14.081714 10.053634 1.6062179 1 1338 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 98.05 15.076981 10.354233 2.7031288 1 1339 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 98.05 15.091724 11.87261 3.0231538 1 1340 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 97.66 14.030095 12.264019 4.0309925 1 1341 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 96.88 14.230153 11.558085 5.3334618 1 1342 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 98.44 14.802187 6.8309393 2.044901 1 1343 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 98.83 14.466322 5.5327325 2.5896323 1 1344 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 98.83 13.183162 5.542327 3.4154446 1 1345 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 98.83 13.076042 6.3149285 4.3809323 1 1346 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 98.44 15.630259 5.0116463 3.4387858 1 1347 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 98.05 15.527697 3.554296 3.8582294 1 1348 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 98.05 16.783756 3.1471338 4.6322374 1 1349 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 98.05 16.68171 1.7174158 5.1618037 1 1350 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 97.66 17.865463 1.3568492 5.964995 1 1351 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 98.83 12.206282 4.741281 3.0113187 1 1352 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 98.83 10.938005 4.5736647 3.7188265 1 1353 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 98.83 10.065234 5.8273225 3.783341 1 1354 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 98.44 9.144028 5.8806205 4.59513 1 1355 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 98.83 11.188726 4.0393877 5.1418877 1 1356 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 98.83 11.812338 2.633544 5.212246 1 1357 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 98.44 12.418098 2.393397 6.5900474 1 1358 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 98.44 10.751905 1.5747154 4.9062486 1 1359 +ATOM N N . THR C0 3 85 . 85 THR C0 N 98.83 10.308376 6.8028564 2.9244928 1 1360 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 98.83 9.494009 8.000675 2.990407 1 1361 +ATOM C C . THR C0 3 85 . 85 THR C0 C 98.83 8.606043 8.200056 1.7493654 1 1362 +ATOM O O . THR C0 3 85 . 85 THR C0 O 98.83 9.0163965 7.953376 0.61230123 1 1363 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 98.44 10.2781315 9.276049 3.420943 1 1364 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 96.88 10.22244 10.279188 2.4117231 1 1365 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 97.66 11.688121 8.959349 3.8159723 1 1366 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 98.83 7.3596845 8.598581 2.0138745 1 1367 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 98.83 6.330168 8.784073 1.0115414 1 1368 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 98.83 5.6901402 10.151464 1.1727451 1 1369 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 98.83 5.981197 10.874418 2.1209807 1 1370 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 98.83 5.259621 7.689498 1.1391869 1 1371 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 98.83 5.724386 6.3164334 0.70590043 1 1372 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 98.83 6.513601 5.5317774 1.5393279 1 1373 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 98.83 5.3765006 5.803132 -0.5362139 1 1374 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 98.44 6.954132 4.2689347 1.1453722 1 1375 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 98.44 5.803398 4.5444007 -0.94332266 1 1376 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 98.83 6.589059 3.7853398 -0.09875267 1 1377 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 98.83 7.022249 2.5405653 -0.49528548 1 1378 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 98.83 4.808911 10.508435 0.24672148 1 1379 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 98.83 4.1846275 11.823849 0.28189296 1 1380 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 98.83 2.7388012 11.8005085 -0.21059042 1 1381 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 98.83 2.4594693 11.337328 -1.3093643 1 1382 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 98.83 5.000439 12.8059225 -0.54347974 1 1383 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 98.83 4.49036 14.231871 -0.49186957 1 1384 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 98.83 5.3608665 15.17785 -1.3023379 1 1385 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 98.05 6.2013993 14.747096 -2.099262 1 1386 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 98.05 5.1766186 16.475315 -1.100487 1 1387 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 98.83 1.818756 12.312783 0.6176932 1 1388 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 98.83 0.41161808 12.421811 0.2518643 1 1389 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 98.83 0.23688275 13.550209 -0.7637361 1 1390 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 98.44 0.9472295 14.556299 -0.7037156 1 1391 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 98.83 -0.4518138 12.748123 1.4692633 1 1392 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 98.83 -0.6510879 11.608116 2.4201896 1 1393 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 98.83 -0.1346372 11.672228 3.7052743 1 1394 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 98.83 -1.3742409 10.487817 2.0393608 1 1395 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 98.83 -0.32462204 10.624716 4.6056986 1 1396 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 98.83 -1.5692804 9.437366 2.9299316 1 1397 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 98.83 -1.0462576 9.505108 4.208997 1 1398 +ATOM N N . SER C0 3 89 . 89 SER C0 N 98.44 -0.7083873 13.373472 -1.6769552 1 1399 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 98.83 -1.0289301 14.431921 -2.6297512 1 1400 +ATOM C C . SER C0 3 89 . 89 SER C0 C 98.44 -1.8548868 15.498648 -1.9197209 1 1401 +ATOM O O . SER C0 3 89 . 89 SER C0 O 96.09 -2.4056869 15.254676 -0.8426106 1 1402 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 98.44 -1.8342535 13.876963 -3.803742 1 1403 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 97.27 -3.1395264 13.507465 -3.3799927 1 1404 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 97.66 -1.9090809 16.685526 -2.5176573 1 1405 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 97.66 -2.718427 17.74453 -1.9514432 1 1406 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 97.66 -4.1805377 17.350666 -1.888109 1 1407 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 95.7 -4.9013443 17.742607 -0.97701395 1 1408 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 97.66 -4.6262465 16.566792 -2.848549 1 1409 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 97.66 -6.0056496 16.087809 -2.8930268 1 1410 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 97.66 -6.3372316 15.268143 -1.6469002 1 1411 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 96.88 -7.3811607 15.473684 -1.020776 1 1412 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 96.88 -6.228436 15.236484 -4.144292 1 1413 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 96.48 -7.5816283 14.532743 -4.2150526 1 1414 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 96.48 -7.7063446 13.621315 -5.413419 1 1415 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 95.7 -8.295883 14.041571 -6.4360714 1 1416 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 95.31 -7.1971684 12.488455 -5.357033 1 1417 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 98.05 -5.458583 14.33778 -1.3141971 1 1418 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 98.44 -5.646154 13.478678 -0.14693694 1 1419 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 97.66 -5.634157 14.302136 1.1443189 1 1420 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 94.14 -6.3260856 13.983829 2.103531 1 1421 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 98.05 -4.561821 12.381076 -0.08934612 1 1422 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 97.27 -4.523816 11.701836 1.2757869 1 1423 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 97.66 -4.818943 11.35251 -1.1859165 1 1424 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 98.05 -4.8575373 15.379032 1.1570084 1 1425 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 97.66 -4.7350435 16.25156 2.3242054 1 1426 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 94.92 -5.8867536 17.246714 2.4616203 1 1427 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 87.5 -5.942712 18.003624 3.427617 1 1428 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 97.66 -3.4062614 17.022133 2.269157 1 1429 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 97.66 -2.1321068 16.202015 2.4505804 1 1430 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 97.66 -0.907251 17.050453 2.126862 1 1431 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 97.27 -2.0403142 15.658997 3.8709967 1 1432 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 95.7 -6.7819805 17.233608 1.5169013 1 1433 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 95.31 -7.9138474 18.152481 1.5496436 1 1434 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 94.14 -7.5540223 19.577524 1.1773263 1 1435 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 89.06 -8.131384 20.52131 1.7212212 1 1436 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 93.75 -6.59378 19.704828 0.28010017 1 1437 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 93.36 -6.1333265 21.02553 -0.16061208 1 1438 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 91.41 -6.4347024 21.262861 -1.6413944 1 1439 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 85.94 -5.6757355 21.947855 -2.3403997 1 1440 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 91.8 -4.642275 21.182987 0.09134078 1 1441 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 92.19 -4.3439703 21.665483 1.4963238 1 1442 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 92.19 -2.8628092 21.94741 1.7280314 1 1443 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 91.8 -2.0003562 20.797337 1.5441062 1 1444 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 91.8 -0.9025856 20.814617 0.75993216 1 1445 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 90.62 -0.16557515 19.723461 0.6588621 1 1446 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 90.23 -0.58298385 21.906921 0.095033154 1 1447 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 92.19 -7.5287333 20.71126 -2.1109066 1 1448 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 91.8 -7.9387593 20.909655 -3.4892583 1 1449 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 91.8 -8.325222 22.36248 -3.718774 1 1450 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 87.11 -8.906452 23.00531 -2.8512392 1 1451 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 91.41 -7.98141 22.838661 -4.8834953 1 1452 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 91.41 -8.341717 24.211258 -5.220106 1 1453 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 91.02 -7.2432632 25.232342 -4.981818 1 1454 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 87.11 -7.3142805 26.366192 -5.471944 1 1455 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 92.58 -6.216655 24.835876 -4.2153835 1 1456 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 92.97 -5.1126885 25.746527 -3.9206402 1 1457 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 92.97 -4.39243 26.142159 -5.1985383 1 1458 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 91.02 -4.0469494 27.314636 -5.3911104 1 1459 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 91.41 -4.129113 25.09047 -2.9454522 1 1460 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 91.02 -3.031558 26.006916 -2.3838148 1 1461 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 89.84 -2.0378265 25.201399 -1.5472124 1 1462 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 89.06 -3.6489592 27.12878 -1.5366089 1 1463 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 88.67 -4.1623964 25.173239 -6.0737247 1 1464 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 89.84 -3.5010839 25.418537 -7.350876 1 1465 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 90.62 -4.319988 26.360645 -8.233725 1 1466 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 87.5 -3.76439 27.15749 -8.992666 1 1467 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 87.11 -3.2484784 24.101265 -8.084135 1 1468 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 92.97 -5.6495023 26.257908 -8.090641 1 1469 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 92.19 -6.5483046 27.098898 -8.86985 1 1470 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 91.8 -6.4520044 28.578835 -8.460777 1 1471 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 88.28 -6.6729107 29.475014 -9.285481 1 1472 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 91.02 -7.995641 26.62473 -8.711197 1 1473 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 91.41 -8.229748 25.194193 -9.162621 1 1474 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 90.62 -9.608244 24.701002 -8.764896 1 1475 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 89.06 -9.731962 23.539877 -8.353695 1 1476 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 88.28 -10.572133 25.489063 -8.845144 1 1477 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 91.02 -6.143574 28.797878 -7.1625423 1 1478 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 91.02 -6.0606894 30.158903 -6.636669 1 1479 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 91.8 -4.7375617 30.841938 -6.963949 1 1480 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 88.67 -4.593031 32.04505 -6.7277503 1 1481 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 89.06 -6.2731495 30.153545 -5.11775 1 1482 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 88.67 -7.679991 29.736378 -4.702939 1 1483 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 87.11 -7.934684 30.041077 -3.2257438 1 1484 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 84.77 -7.1634583 29.170925 -2.3316045 1 1485 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 82.81 -7.5403166 27.945923 -1.9597926 1 1486 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 81.25 -8.678909 27.423157 -2.4233334 1 1487 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 81.25 -6.7841015 27.229794 -1.122225 1 1488 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 91.41 -3.764963 30.084044 -7.5280743 1 1489 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 91.41 -2.4426284 30.62555 -7.8117514 1 1490 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 91.41 -2.321055 31.343784 -9.148094 1 1491 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 88.67 -2.9619122 30.967924 -10.129942 1 1492 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 90.62 -1.3773403 29.515087 -7.7406454 1 1493 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 91.41 -1.0573325 29.092903 -6.3350115 1 1494 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 91.02 -0.120618805 27.894955 -6.316451 1 1495 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 90.23 -0.062047176 27.332428 -4.967327 1 1496 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 89.84 0.0052502323 26.044075 -4.7089057 1 1497 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 88.28 0.045015536 25.60625 -3.465527 1 1498 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 88.28 0.030855298 25.164223 -5.7026577 1 1499 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 93.36 -1.4681301 32.38375 -9.192398 1 1500 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 92.97 -1.1495014 33.140076 -10.400782 1 1501 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 92.19 0.35942197 33.138603 -10.527092 1 1502 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 88.67 1.0652966 33.278603 -9.504614 1 1503 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 92.19 -1.6855333 34.579575 -10.311026 1 1504 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 93.36 -3.1921892 34.657288 -10.275888 1 1505 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 92.58 -4.005604 33.981735 -11.17317 1 1506 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 91.8 -3.9787102 35.340015 -9.422678 1 1507 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 91.41 -5.2603836 34.20682 -10.932951 1 1508 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 91.02 -5.2971992 35.091393 -9.787325 1 1509 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 92.97 0.83369696 32.953182 -11.728849 1 1510 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 93.36 0.11734886 32.840744 -13.012222 1 1511 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 94.14 -0.5085435 31.46967 -13.238199 1 1512 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 92.58 -0.818215 30.788239 -12.264243 1 1513 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 92.19 1.2015107 33.110996 -14.06336 1 1514 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 91.8 2.4071429 33.561466 -13.288569 1 1515 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 92.97 2.2592378 33.009636 -11.908304 1 1516 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 91.02 -0.7263657 31.028828 -14.515252 1 1517 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 92.58 -1.4366665 29.802513 -14.914545 1 1518 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 93.36 -0.8367814 28.480713 -14.415815 1 1519 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 91.02 0.23548152 28.468035 -13.822208 1 1520 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 90.62 -1.3957242 29.853168 -16.44761 1 1521 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 90.62 -0.27129132 30.748732 -16.797 1 1522 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 91.8 -0.28305572 31.795483 -15.717702 1 1523 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 91.41 -1.5758343 27.36324 -14.671124 1 1524 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 91.8 -1.1775827 26.01513 -14.302326 1 1525 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 91.8 0.26573265 25.752657 -14.687243 1 1526 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 89.06 0.65678656 25.986385 -15.828083 1 1527 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 89.84 -2.0606918 24.969719 -14.973037 1 1528 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 90.62 -3.4704156 24.913397 -14.437187 1 1529 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 88.67 -4.0351315 25.940815 -13.723927 1 1530 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 87.89 -4.418423 23.948727 -14.5503645 1 1531 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 86.72 -5.2815347 25.641153 -13.393232 1 1532 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 86.72 -5.539777 24.410944 -13.886372 1 1533 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 86.72 0.9802468 25.198206 -13.826993 1 1534 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_1_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_1_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..5bdb609d53f4a737d8e4f356febc207d20e2c546 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_1_postprocessed.cif @@ -0,0 +1,1869 @@ +data_8e3r-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 0 30.552902 -11.614878 -7.9580507 1 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 0 31.43371 -10.484356 -7.551306 1 2 1 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 0 31.085087 -9.143669 -7.2586718 1 3 1 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 0 32.317383 -10.517686 -8.92432 1 4 1 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 0 32.40732 -11.185912 -6.38585 1 5 1 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 0 32.701538 -10.372335 -5.391535 1 6 1 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 0 32.056015 -10.654589 -4.035221 1 7 1 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 0 31.854467 -9.333368 -3.4472742 1 8 1 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 0 30.690645 -11.355643 -3.9468632 1 9 1 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 0 30.613235 -12.112568 -2.7380211 1 10 1 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 0 29.707867 -10.186747 -3.9226246 1 11 1 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 0 30.473925 -9.117467 -3.1718698 1 12 1 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 0 30.13068 -7.750925 -3.5857081 1 13 1 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 0 30.117817 -7.2271395 -4.8505344 1 14 1 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 0 29.80099 -5.957123 -4.906621 1 15 1 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 0 29.596375 -5.6089296 -3.584597 1 16 1 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 0 29.240953 -4.399912 -2.9685795 1 17 1 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 0 29.021763 -3.2644558 -3.6440578 1 18 1 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 0 29.124846 -4.405437 -1.6193122 1 19 1 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 0 29.349115 -5.5458636 -0.93960345 1 20 1 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 0 29.691465 -6.752187 -1.4134362 1 21 1 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 0 29.796299 -6.70804 -2.755387 1 22 1 +ATOM P P . DA A0 1 2 . 2 DA A0 P 0 29.557041 -13.160658 -2.36975 1 23 1 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 0 28.756432 -13.4015045 -3.5913286 1 24 1 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 0 30.202381 -14.287495 -1.6517614 1 25 1 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 0 28.648129 -12.360353 -1.3308878 1 26 1 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 0 29.206837 -11.920448 -0.11061676 1 27 1 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 0 28.18304 -11.17445 0.7061701 1 28 1 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 0 28.033566 -9.82136 0.1884665 1 29 1 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 0 26.792439 -11.794255 0.7147987 1 30 1 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 0 26.312984 -11.817693 2.0577774 1 31 1 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 0 25.973059 -10.868728 -0.18947652 1 32 1 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 0 26.665379 -9.5277815 -0.0026292761 1 33 1 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 0 26.58951 -8.602898 -1.1304579 1 34 1 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 0 26.793573 -8.887931 -2.4580922 1 35 1 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 0 26.686235 -7.846796 -3.253867 1 36 1 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 0 26.394464 -6.7964463 -2.3872678 1 37 1 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 0 26.169075 -5.4243555 -2.6034148 1 38 1 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 0 26.206085 -4.855627 -3.8165717 1 39 1 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 0 25.908321 -4.650807 -1.5302689 1 40 1 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 0 25.877548 -5.2258353 -0.32626557 1 41 1 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 0 26.075474 -6.5087395 0.008369077 1 42 1 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 0 26.33073 -7.2461424 -1.0790113 1 43 1 +ATOM P P . DT A0 1 3 . 3 DT A0 P 0 24.880653 -12.503809 2.4161527 1 44 1 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 0 24.341385 -13.196449 1.2206368 1 45 1 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 0 25.06554 -13.246916 3.6989915 1 46 1 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 0 23.97781 -11.2306595 2.7050161 1 47 1 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 0 24.563826 -10.0892105 3.287419 1 48 1 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 0 23.55896 -8.961762 3.3547492 1 49 1 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 0 23.69339 -8.100632 2.1820345 1 50 1 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 0 22.098854 -9.396507 3.394776 1 51 1 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 0 21.426666 -8.578085 4.337574 1 52 1 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 0 21.602829 -9.129261 1.971199 1 53 1 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 0 22.420185 -7.904358 1.6121663 1 54 1 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 0 22.622974 -7.633135 0.16485758 1 55 1 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 0 22.584316 -6.31349 -0.24777523 1 56 1 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 0 22.388985 -5.3778133 0.5072394 1 57 1 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 0 22.789816 -6.1222444 -1.5876997 1 58 1 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 0 23.022154 -7.094699 -2.5402946 1 59 1 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 0 23.19615 -6.794299 -3.7192144 1 60 1 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 0 23.048964 -8.455691 -2.0374866 1 61 1 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 0 23.28857 -9.589137 -2.9964156 1 62 1 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 0 22.851433 -8.654776 -0.727687 1 63 1 +ATOM P P . DA A0 1 4 . 4 DA A0 P 0 19.94334 -8.866014 4.7770867 1 64 1 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 0 19.289398 -9.766718 3.7896967 1 65 1 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 0 19.974567 -9.229088 6.2178216 1 66 1 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 0 19.274075 -7.4278746 4.643492 1 67 1 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 0 20.082401 -6.2742825 4.534835 1 68 1 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 0 19.276745 -5.128627 3.9770312 1 69 1 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 0 19.543503 -4.9644766 2.5532904 1 70 1 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 0 17.77562 -5.3016047 4.1012363 1 71 1 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 0 17.219707 -4.0232897 4.350604 1 72 1 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 0 17.37254 -5.8442965 2.7245085 1 73 1 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 0 18.34467 -5.1010356 1.8237708 1 74 1 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 0 18.692066 -5.7445316 0.5577529 1 75 1 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 0 18.904398 -7.074675 0.3200742 1 76 1 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 0 19.24452 -7.3425446 -0.9170177 1 77 1 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 0 19.261856 -6.1010647 -1.5383921 1 78 1 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 0 19.55106 -5.7050714 -2.8588438 1 79 1 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 0 19.898426 -6.5512333 -3.8260155 1 80 1 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 0 19.476562 -4.3830986 -3.1430259 1 81 1 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 0 19.132484 -3.5356836 -2.167741 1 82 1 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 0 18.83722 -3.7922187 -0.8869183 1 83 1 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 0 18.92255 -5.11193 -0.6373675 1 84 1 +ATOM P P . DA A0 1 5 . 5 DA A0 P 0 15.690509 -3.876175 4.6351576 1 85 1 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 0 14.945351 -5.1281037 4.333845 1 86 1 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 0 15.567102 -3.233295 5.9756184 1 87 1 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 0 15.312035 -2.8021832 3.5280223 1 88 1 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 0 16.253746 -1.8097364 3.1637478 1 89 1 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 0 15.823122 -1.0991614 1.9055188 1 90 1 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 0 16.203148 -1.8717607 0.7336899 1 91 1 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 0 14.324675 -0.848471 1.7860827 1 92 1 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 0 14.160376 0.47306338 1.2942989 1 93 1 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 0 13.857822 -1.9222594 0.79969466 1 94 1 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 0 15.081077 -2.086595 -0.08987777 1 95 1 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 0 15.280228 -3.3929205 -0.7221396 1 96 1 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 0 15.169272 -4.627842 -0.15110186 1 97 1 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 0 15.460223 -5.618428 -0.9617712 1 98 1 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 0 15.787364 -4.988197 -2.1533594 1 99 1 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 0 16.192379 -5.4849443 -3.4054518 1 100 1 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 0 16.344042 -6.7805243 -3.6752474 1 101 1 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 0 16.442677 -4.58322 -4.3821335 1 102 1 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 0 16.296165 -3.2812715 -4.1096444 1 103 1 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 0 15.924955 -2.6945026 -2.9686441 1 104 1 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 0 15.682207 -3.6176944 -2.020813 1 105 1 +ATOM P P . DA A0 1 6 . 6 DA A0 P 0 12.723019 1.0986094 1.076493 1 106 1 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 0 11.68413 0.27542007 1.7333096 1 107 1 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 0 12.844025 2.5491958 1.4056447 1 108 1 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 0 12.557927 0.9605479 -0.49391964 1 109 1 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 0 13.583042 1.4506536 -1.3404855 1 110 1 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 0 13.296626 1.1272674 -2.781765 1 111 1 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 0 13.622423 -0.2617888 -3.0484395 1 112 1 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 0 11.847176 1.3210404 -3.215776 1 113 1 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 0 11.830047 2.1276395 -4.3831663 1 114 1 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 0 11.349379 -0.10175654 -3.4850922 1 115 1 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 0 12.626866 -0.8249675 -3.863669 1 116 1 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 0 12.644932 -2.2708313 -3.6423006 1 117 1 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 0 12.334336 -2.9475634 -2.492447 1 118 1 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 0 12.462162 -4.250496 -2.589488 1 119 1 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 0 12.886057 -4.449912 -3.8992853 1 120 1 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 0 13.204687 -5.6120167 -4.625523 1 121 1 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 0 13.137651 -6.8392267 -4.1204762 1 122 1 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 0 13.600737 -5.460154 -5.905652 1 123 1 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 0 13.668985 -4.2256556 -6.412372 1 124 1 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 0 13.399275 -3.0551877 -5.8258305 1 125 1 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 0 13.00716 -3.2389524 -4.5563984 1 126 1 +ATOM P P . DA A0 1 7 . 7 DA A0 P 0 10.431744 2.6264403 -4.9994316 1 127 1 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 0 9.313719 2.2989573 -4.0877304 1 128 1 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 0 10.6546755 4.025381 -5.4532204 1 129 1 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 0 10.304256 1.7069901 -6.2866993 1 130 1 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 0 11.388179 1.638509 -7.1940503 1 131 1 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 0 11.178343 0.53125215 -8.191486 1 132 1 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 0 11.336788 -0.75868416 -7.5526953 1 133 1 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 0 9.801546 0.5150726 -8.859674 1 134 1 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 0 9.984159 0.56685925 -10.27002 1 135 1 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 0 9.181868 -0.80976224 -8.4123 1 136 1 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 0 10.397734 -1.6581917 -8.096568 1 137 1 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 0 10.198524 -2.7337978 -7.1285515 1 138 1 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 0 9.779341 -2.6297686 -5.8283854 1 139 1 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 0 9.7128315 -3.7797468 -5.1990147 1 140 1 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 0 10.1128235 -4.7091894 -6.1510034 1 141 1 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 0 10.25988 -6.106473 -6.1104527 1 142 1 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 0 10.007008 -6.842308 -5.0297127 1 143 1 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 0 10.682848 -6.72835 -7.2334056 1 144 1 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 0 10.937719 -5.9901485 -8.315945 1 145 1 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 0 10.84198 -4.665345 -8.475868 1 146 1 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 0 10.418044 -4.077282 -7.342037 1 147 1 +ATOM P P . DG A0 1 8 . 8 DG A0 P 0 8.769111 0.92896867 -11.230941 1 148 1 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 0 7.6127176 1.3602462 -10.424835 1 149 1 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 0 9.3106365 1.8148766 -12.296305 1 150 1 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 0 8.438648 -0.4914772 -11.861069 1 151 1 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 0 9.5056095 -1.3606359 -12.103643 1 152 1 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 0 9.053629 -2.712612 -12.608738 1 153 1 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 0 9.056746 -3.6623173 -11.505907 1 154 1 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 0 7.653 -2.773203 -13.223 1 155 1 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 0 7.7294645 -3.514143 -14.429536 1 156 1 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 0 6.8268447 -3.5018249 -12.163788 1 157 1 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 0 7.856307 -4.392213 -11.511049 1 158 1 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 0 7.574248 -4.7433963 -10.124716 1 159 1 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 0 7.219462 -3.8974907 -9.097784 1 160 1 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 0 7.045747 -4.516571 -7.9663444 1 161 1 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 0 7.2955728 -5.8521852 -8.254721 1 162 1 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 0 7.2619343 -6.994204 -7.4266357 1 163 1 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 0 6.993986 -7.0481195 -6.2145367 1 164 1 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 0 7.585311 -8.15823 -8.12225 1 165 1 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 0 7.8999653 -8.204134 -9.45449 1 166 1 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 0 8.185044 -9.41968 -9.95293 1 167 1 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 0 7.9411426 -7.1437674 -10.249628 1 168 1 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 0 7.6281004 -6.007333 -9.581973 1 169 1 +ATOM P P . DG A0 1 9 . 9 DG A0 P 0 6.4988213 -3.4971647 -15.465773 1 170 1 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 0 5.3662744 -2.686883 -14.967857 1 171 1 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 0 7.1058283 -3.2138638 -16.788542 1 172 1 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 0 6.064231 -5.0198536 -15.431164 1 173 1 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 0 7.054402 -6.0011253 -15.605228 1 174 1 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 0 6.460227 -7.3846254 -15.433361 1 175 1 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 0 6.3305626 -7.7023835 -14.028164 1 176 1 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 0 5.0611105 -7.5404463 -16.02635 1 177 1 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 0 4.9766703 -8.849312 -16.563713 1 178 1 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 0 4.149412 -7.3700924 -14.806791 1 179 1 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 0 4.988006 -8.0316105 -13.7349205 1 180 1 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 0 4.743736 -7.618946 -12.3575 1 181 1 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 0 4.598555 -6.348314 -11.862867 1 182 1 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 0 4.425866 -6.31643 -10.572817 1 183 1 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 0 4.4590945 -7.6471453 -10.184325 1 184 1 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 0 4.3250284 -8.233071 -8.898732 1 185 1 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 0 4.152935 -7.6817284 -7.81038 1 186 1 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 0 4.4155846 -9.62479 -8.9544735 1 187 1 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 0 4.617481 -10.355212 -10.109257 1 188 1 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 0 4.681746 -11.682424 -9.963888 1 189 1 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 0 4.746202 -9.807435 -11.313233 1 190 1 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 0 4.6572886 -8.456652 -11.273737 1 191 1 +ATOM P P . DA A0 1 10 . 10 DA A0 P 0 3.8723938 -9.232204 -17.68451 1 192 1 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 0 3.0944881 -8.03378 -18.092997 1 193 1 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 0 4.611595 -10.032712 -18.696175 1 194 1 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 0 2.9113946 -10.205763 -16.891544 1 195 1 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 0 3.4961886 -11.307632 -16.237183 1 196 1 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 0 2.5391774 -11.884729 -15.22434 1 197 1 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 0 2.601194 -11.137547 -13.983059 1 198 1 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 0 1.0620052 -11.866573 -15.662085 1 199 1 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 0 0.5207454 -13.15329 -15.446575 1 200 1 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 0 0.4299038 -10.834781 -14.723661 1 201 1 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 0 1.2955025 -11.018872 -13.489404 1 202 1 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 0 1.2568028 -9.952104 -12.503407 1 203 1 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 0 1.2643417 -8.591403 -12.696336 1 204 1 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 0 1.2010835 -7.893592 -11.587679 1 205 1 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 0 1.1510113 -8.861955 -10.59239 1 206 1 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 0 1.0711725 -8.778929 -9.190643 1 207 1 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 0 1.0219893 -7.6308584 -8.510029 1 208 1 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 0 1.0374414 -9.928621 -8.485745 1 209 1 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 0 1.084736 -11.089157 -9.162559 1 210 1 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 0 1.1591849 -11.2927685 -10.484019 1 211 1 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 0 1.1894892 -10.123662 -11.148323 1 212 1 +ATOM P P . DA A0 1 11 . 11 DA A0 P 0 -0.71417 -13.701121 -16.289621 1 213 1 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 0 -1.5000873 -12.55999 -16.832666 1 214 1 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 0 -0.17719534 -14.75518 -17.195583 1 215 1 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 0 -1.5709189 -14.416706 -15.162263 1 216 1 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 0 -0.8791331 -15.146289 -14.1662655 1 217 1 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 0 -1.5948526 -15.042039 -12.843071 1 218 1 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 0 -1.3341479 -13.761444 -12.223041 1 219 1 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 0 -3.1193414 -15.170311 -12.934578 1 220 1 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 0 -3.5326118 -16.164516 -12.023043 1 221 1 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 0 -3.6217914 -13.777866 -12.540948 1 222 1 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 0 -2.5133348 -13.315987 -11.611062 1 223 1 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 0 -2.429508 -11.884078 -11.388735 1 224 1 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 0 -2.3894463 -10.876256 -12.31679 1 225 1 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 0 -2.3335426 -9.677036 -11.789892 1 226 1 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 0 -2.3358457 -9.915951 -10.418053 1 227 1 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 0 -2.29241 -9.053188 -9.3083105 1 228 1 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 0 -2.2400782 -7.725353 -9.39817 1 229 1 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 0 -2.3125167 -9.611452 -8.078883 1 230 1 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 0 -2.3679366 -10.947998 -7.983613 1 231 1 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 0 -2.4115534 -11.856534 -8.959463 1 232 1 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 0 -2.3904545 -11.266469 -10.165546 1 233 1 +ATOM P P . DG A0 1 12 . 12 DG A0 P 0 -5.051914 -16.574907 -11.84983 1 234 1 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 0 -5.8826113 -15.753834 -12.773971 1 235 1 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 0 -5.122372 -18.049252 -11.891285 1 236 1 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 0 -5.3488846 -16.103725 -10.363478 1 237 1 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 0 -4.398445 -16.344254 -9.339186 1 238 1 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 0 -4.9282107 -15.843881 -8.015306 1 239 1 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 0 -4.683652 -14.4127445 -7.895265 1 240 1 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 0 -6.425543 -16.039204 -7.843649 1 241 1 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 0 -6.6951323 -16.46238 -6.5226097 1 242 1 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 0 -7.004605 -14.652729 -8.125914 1 243 1 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 0 -5.8978786 -13.740516 -7.632435 1 244 1 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 0 -5.830989 -12.435156 -8.280213 1 245 1 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 0 -5.734912 -12.176075 -9.628236 1 246 1 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 0 -5.67826 -10.906136 -9.9069 1 247 1 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 0 -5.734972 -10.282597 -8.662101 1 248 1 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 0 -5.7098174 -8.906809 -8.3235855 1 249 1 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 0 -5.6235538 -7.926918 -9.079697 1 250 1 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 0 -5.7999125 -8.709208 -6.945298 1 251 1 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 0 -5.8886957 -9.71771 -6.0153112 1 252 1 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 0 -5.966011 -9.32902 -4.7306237 1 253 1 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 0 -5.908922 -11.007845 -6.318058 1 254 1 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 0 -5.8281107 -11.213947 -7.6525145 1 255 1 +ATOM P P . DT A0 1 13 . 13 DT A0 P 0 -8.186355 -16.831043 -6.1166596 1 256 1 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 0 -9.051182 -16.830978 -7.326134 1 257 1 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 0 -8.128379 -18.02865 -5.2426486 1 258 1 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 0 -8.597977 -15.580099 -5.23995 1 259 1 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 0 -7.6571493 -15.008599 -4.3664517 1 260 1 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 0 -8.340204 -13.993889 -3.468686 1 261 1 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 0 -8.244348 -12.674988 -4.0690403 1 262 1 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 0 -9.821948 -14.258972 -3.2510877 1 263 1 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 0 -10.105951 -14.059362 -1.8820144 1 264 1 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 0 -10.523123 -13.240322 -4.161152 1 265 1 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 0 -9.529928 -12.095081 -4.182315 1 266 1 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 0 -9.50202 -11.259798 -5.4125395 1 267 1 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 0 -9.475046 -9.886274 -5.27279 1 268 1 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 0 -9.510101 -9.322687 -4.1956577 1 269 1 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 0 -9.39296 -9.188499 -6.445005 1 270 1 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 0 -9.342855 -9.715733 -7.7206435 1 271 1 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 0 -9.262054 -8.987694 -8.706543 1 272 1 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 0 -9.383282 -11.16362 -7.795987 1 273 1 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 0 -9.345726 -11.834038 -9.136656 1 274 1 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 0 -9.458561 -11.85465 -6.652878 1 275 1 +ATOM P P . DG A0 1 14 . 14 DG A0 P 0 -11.509866 -14.478451 -1.2643988 1 276 1 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 0 -12.220804 -15.308634 -2.266314 1 277 1 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 0 -11.287857 -14.979706 0.11903 1 278 1 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 0 -12.233126 -13.080545 -1.1645968 1 279 1 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 0 -11.611906 -12.044384 -0.4374027 1 280 1 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 0 -12.498286 -10.820378 -0.4557727 1 281 1 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 0 -12.347473 -10.118652 -1.7152925 1 282 1 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 0 -13.982153 -11.141959 -0.32718152 1 283 1 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 0 -14.555119 -10.148407 0.49092558 1 284 1 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 0 -14.481151 -11.067292 -1.7718511 1 285 1 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 0 -13.609737 -9.965488 -2.3263779 1 286 1 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 0 -13.383483 -9.96511 -3.7660608 1 287 1 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 0 -13.36071 -11.027464 -4.634995 1 288 1 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 0 -13.101991 -10.691746 -5.864152 1 289 1 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 0 -12.938662 -9.313928 -5.8125496 1 290 1 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 0 -12.640902 -8.384363 -6.836597 1 291 1 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 0 -12.445432 -8.599581 -8.04035 1 292 1 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 0 -12.558611 -7.086296 -6.3491116 1 293 1 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 0 -12.741655 -6.726194 -5.0361996 1 294 1 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 0 -12.630293 -5.4266376 -4.7528305 1 295 1 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 0 -13.025175 -7.58931 -4.0667906 1 296 1 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 0 -13.108933 -8.859704 -4.5252867 1 297 1 +ATOM P P . DG A0 1 15 . 15 DG A0 P 0 -16.015825 -10.235572 1.0113077 1 298 1 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 0 -16.78374 -11.186171 0.16244486 1 299 1 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 0 -15.979604 -10.41369 2.4860725 1 300 1 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 0 -16.53347 -8.768386 0.7156837 1 301 1 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 0 -15.697609 -7.6614723 0.99754626 1 302 1 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 0 -16.229864 -6.4541187 0.26459318 1 303 1 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 0 -15.826133 -6.5132127 -1.1296813 1 304 1 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 0 -17.755077 -6.3807135 0.27363423 1 305 1 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 0 -18.165257 -5.0393248 0.48901445 1 306 1 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 0 -18.133945 -6.887784 -1.1182233 1 307 1 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 0 -16.964924 -6.422576 -1.9579332 1 308 1 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 0 -16.71592 -7.2154865 -3.1570702 1 309 1 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 0 -16.736755 -8.582722 -3.2784925 1 310 1 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 0 -16.49052 -9.0053005 -4.4850607 1 311 1 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 0 -16.284363 -7.8396244 -5.2098494 1 312 1 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 0 -15.976934 -7.6539226 -6.5772114 1 313 1 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 0 -15.81794 -8.515791 -7.4520197 1 314 1 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 0 -15.843902 -6.3087006 -6.9081364 1 315 1 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 0 -15.99609 -5.270433 -6.0199537 1 316 1 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 0 -15.83481 -4.0389643 -6.52118 1 317 1 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 0 -16.288776 -5.4266768 -4.738344 1 318 1 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 0 -16.413708 -6.730818 -4.4022408 1 319 1 +ATOM P P . DG A0 1 16 . 16 DG A0 P 0 -19.700928 -4.668215 0.41874337 1 320 1 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 0 -20.474808 -5.923354 0.24146172 1 321 1 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 0 -20.029314 -3.735764 1.5186908 1 322 1 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 0 -19.758476 -3.874609 -0.96259046 1 323 1 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 0 -18.861822 -2.800062 -1.2160938 1 324 1 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 0 -19.215893 -2.1539507 -2.5400171 1 325 1 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 0 -18.840939 -3.039999 -3.6275244 1 326 1 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 0 -20.706095 -1.8908856 -2.7103522 1 327 1 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 0 -20.887892 -0.7291398 -3.5048106 1 328 1 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 0 -21.180202 -3.1211834 -3.4755735 1 329 1 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 0 -19.991306 -3.3676631 -4.3882217 1 330 1 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 0 -19.84016 -4.7401457 -4.867417 1 331 1 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 0 -20.013042 -5.8991766 -4.165539 1 332 1 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 0 -19.802097 -6.9745393 -4.873128 1 333 1 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 0 -19.46373 -6.4907084 -6.1273584 1 334 1 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 0 -19.128305 -7.1826725 -7.3186493 1 335 1 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 0 -19.053642 -8.396399 -7.5097084 1 336 1 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 0 -18.85421 -6.309433 -8.367576 1 337 1 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 0 -18.89743 -4.9379344 -8.273767 1 338 1 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 0 -18.602695 -4.256637 -9.403046 1 339 1 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 0 -19.213203 -4.2749033 -7.1701922 1 340 1 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 0 -19.478035 -5.1144605 -6.1364985 1 341 1 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 0 -17.8676 -14.829021 -15.191444 1 342 1 +ATOM P P . DT B0 2 1 . 1 DT B0 P 0 -19.349617 -15.208206 -15.164637 1 343 1 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 0 -19.11515 -15.83695 -13.8993635 1 344 1 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 0 -19.262486 -15.602392 -16.477962 1 345 1 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 0 -20.236702 -13.779959 -15.094727 1 346 1 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 0 -20.868134 -13.399595 -16.27125 1 347 1 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 0 -20.690416 -11.884521 -16.501305 1 348 1 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 0 -21.470509 -11.190093 -15.495454 1 349 1 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 0 -19.254505 -11.42812 -16.344624 1 350 1 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 0 -18.831234 -10.604899 -17.424068 1 351 1 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 0 -19.222397 -10.635036 -15.03071 1 352 1 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 0 -20.673227 -10.242964 -14.8118305 1 353 1 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 0 -20.974607 -10.289109 -13.353727 1 354 1 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 0 -21.312977 -9.137408 -12.678011 1 355 1 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 0 -21.44466 -8.049246 -13.20759 1 356 1 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 0 -21.510845 -9.303003 -11.337118 1 357 1 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 0 -21.394482 -10.481918 -10.621183 1 358 1 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 0 -21.5851 -10.517629 -9.408447 1 359 1 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 0 -21.038841 -11.642973 -11.381933 1 360 1 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 0 -20.885235 -12.981665 -10.69578 1 361 1 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 0 -20.852135 -11.495736 -12.701166 1 362 1 +ATOM P P . DC B0 2 2 . 2 DC B0 P 0 -17.189716 -10.328501 -17.461609 1 363 1 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 0 -16.496014 -11.108179 -16.407364 1 364 1 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 0 -16.75078 -10.440695 -18.870289 1 365 1 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 0 -17.145493 -8.783522 -17.034187 1 366 1 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 0 -18.156876 -7.8926425 -17.46199 1 367 1 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 0 -18.03418 -6.585598 -16.703964 1 368 1 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 0 -18.609158 -6.729018 -15.3659315 1 369 1 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 0 -16.598314 -6.1188335 -16.50515 1 370 1 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 0 -16.487082 -4.712081 -16.715157 1 371 1 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 0 -16.299816 -6.4756575 -15.054143 1 372 1 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 0 -17.666588 -6.342394 -14.391203 1 373 1 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 0 -17.83123 -7.205994 -13.199405 1 374 1 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 0 -18.192596 -6.6326885 -11.970219 1 375 1 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 0 -18.375431 -5.402093 -11.910574 1 376 1 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 0 -18.329475 -7.429554 -10.880585 1 377 1 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 0 -18.123402 -8.739117 -11.001442 1 378 1 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 0 -18.270645 -9.488718 -9.900543 1 379 1 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 0 -17.7571 -9.357265 -12.2328 1 380 1 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 0 -17.630219 -8.55591 -13.301095 1 381 1 +ATOM P P . DC B0 2 3 . 3 DC B0 P 0 -15.037729 -4.0599227 -16.830952 1 382 1 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 0 -14.002561 -5.117255 -16.687023 1 383 1 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 0 -15.076832 -3.2327223 -18.06863 1 384 1 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 0 -14.900562 -3.0926015 -15.563136 1 385 1 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 0 -16.04147 -2.530175 -14.950133 1 386 1 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 0 -15.610047 -1.8051248 -13.685468 1 387 1 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 0 -15.893231 -2.6488967 -12.526176 1 388 1 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 0 -14.1214905 -1.4882954 -13.618166 1 389 1 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 0 -13.913949 -0.22463876 -13.005322 1 390 1 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 0 -13.546282 -2.6131701 -12.759338 1 391 1 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 0 -14.704581 -2.9218214 -11.819628 1 392 1 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 0 -14.75036 -4.336714 -11.381524 1 393 1 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 0 -15.070108 -4.6372027 -10.050035 1 394 1 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 0 -15.31961 -3.7049985 -9.2675085 1 395 1 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 0 -15.105137 -5.9330325 -9.662453 1 396 1 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 0 -14.836213 -6.8996367 -10.544943 1 397 1 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 0 -14.876637 -8.163595 -10.122686 1 398 1 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 0 -14.50584 -6.623857 -11.901521 1 399 1 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 0 -14.478836 -5.3371077 -12.271961 1 400 1 +ATOM P P . DC B0 2 4 . 4 DC B0 P 0 -12.421993 0.3875125 -12.892811 1 401 1 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 0 -11.416853 -0.629851 -13.275839 1 402 1 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 0 -12.478537 1.682487 -13.6213875 1 403 1 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 0 -12.248839 0.68372893 -11.340759 1 404 1 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 0 -13.388163 0.78889775 -10.515427 1 405 1 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 0 -13.017801 0.5388972 -9.069496 1 406 1 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 0 -13.112021 -0.88293386 -8.757558 1 407 1 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 0 -11.607822 0.9434699 -8.688034 1 408 1 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 0 -11.647294 1.4400344 -7.3664446 1 409 1 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 0 -10.823622 -0.37184387 -8.758627 1 410 1 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 0 -11.873665 -1.3542249 -8.268127 1 411 1 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 0 -11.744842 -2.7575867 -8.730972 1 412 1 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 0 -12.058981 -3.7823734 -7.8341665 1 413 1 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 0 -12.406153 -3.4987268 -6.6798306 1 414 1 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 0 -11.983168 -5.064914 -8.261175 1 415 1 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 0 -11.616142 -5.3399363 -9.514732 1 416 1 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 0 -11.555129 -6.6162033 -9.89233 1 417 1 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 0 -11.287693 -4.310114 -10.439762 1 418 1 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 0 -11.3680935 -3.0472856 -10.008178 1 419 1 +ATOM P P . DA B0 2 5 . 5 DA B0 P 0 -10.663367 2.6243472 -6.9049234 1 420 1 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 0 -9.657609 2.8824558 -7.9671354 1 421 1 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 0 -11.505367 3.7313719 -6.384735 1 422 1 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 0 -9.928274 1.9508363 -5.682974 1 423 1 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 0 -10.694967 1.4037935 -4.6250134 1 424 1 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 0 -9.9140835 0.30504605 -3.9434214 1 425 1 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 0 -9.934599 -0.8945999 -4.760539 1 426 1 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 0 -8.437584 0.619876 -3.6962028 1 427 1 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 0 -8.123802 0.20555887 -2.3786156 1 428 1 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 0 -7.7151303 -0.22308871 -4.7479362 1 429 1 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 0 -8.636032 -1.428659 -4.7969036 1 430 1 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 0 -8.519651 -2.3128834 -5.944855 1 431 1 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 0 -8.143126 -2.0149007 -7.230289 1 432 1 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 0 -8.119973 -3.04394 -8.036799 1 433 1 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 0 -8.520422 -4.1000767 -7.2236595 1 434 1 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 0 -8.697715 -5.4726973 -7.4786158 1 435 1 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 0 -8.490899 -6.0397406 -8.6674185 1 436 1 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 0 -9.105381 -6.254619 -6.456553 1 437 1 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 0 -9.310919 -5.684382 -5.258891 1 438 1 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 0 -9.171859 -4.408863 -4.9059563 1 439 1 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 0 -8.770585 -3.6634831 -5.9452267 1 440 1 +ATOM P P . DC B0 2 6 . 6 DC B0 P 0 -6.8181458 0.8315201 -1.6387745 1 441 1 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 0 -6.724643 2.268668 -1.9868317 1 442 1 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 0 -6.903266 0.42433295 -0.20684263 1 443 1 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 0 -5.6403213 0.06479868 -2.36856 1 444 1 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 0 -4.91356 -0.94041514 -1.7122853 1 445 1 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 0 -5.6564946 -2.242056 -1.5990653 1 446 1 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 0 -6.0927715 -2.6934295 -2.9120002 1 447 1 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 0 -4.803102 -3.369247 -1.029133 1 448 1 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 0 -5.5083857 -4.0865545 -0.039195344 1 449 1 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 0 -4.537939 -4.2500114 -2.2501786 1 450 1 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 0 -5.768125 -4.0473547 -3.0772161 1 451 1 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 0 -5.56753 -4.368845 -4.5147038 1 452 1 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 0 -5.8429213 -5.661313 -4.971586 1 453 1 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 0 -6.280507 -6.4993033 -4.186671 1 454 1 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 0 -5.628885 -5.954973 -6.275606 1 455 1 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 0 -5.1612797 -5.0249505 -7.103958 1 456 1 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 0 -4.9707375 -5.365059 -8.373451 1 457 1 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 0 -4.875932 -3.6995199 -6.6460876 1 458 1 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 0 -5.0937815 -3.4147434 -5.3564262 1 459 1 +ATOM P P . DT B0 2 7 . 7 DT B0 P 0 -4.637809 -4.935503 1.0375526 1 460 1 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 0 -3.3100448 -4.312745 1.2588167 1 461 1 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 0 -5.5497184 -5.189465 2.180169 1 462 1 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 0 -4.3842573 -6.30441 0.27224755 1 463 1 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 0 -5.4656916 -7.172046 0.029431708 1 464 1 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 0 -4.9705696 -8.492835 -0.5375666 1 465 1 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 0 -4.653741 -8.338396 -1.9412928 1 466 1 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 0 -3.7128537 -9.071844 0.11999265 1 467 1 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 0 -3.9489017 -10.469923 0.27776474 1 468 1 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 0 -2.604711 -8.806529 -0.902584 1 469 1 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 0 -3.3832388 -8.909013 -2.2100925 1 470 1 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 0 -2.8856878 -8.189705 -3.4107096 1 471 1 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 0 -2.8734226 -8.896099 -4.5949345 1 472 1 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 0 -3.1633503 -10.081837 -4.6673527 1 473 1 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 0 -2.5121975 -8.169922 -5.6989613 1 474 1 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 0 -2.1683555 -6.836715 -5.728965 1 475 1 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 0 -1.8782284 -6.287956 -6.7904806 1 476 1 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 0 -2.1902103 -6.1601696 -4.45737 1 477 1 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 0 -1.8188574 -4.705782 -4.3900366 1 478 1 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 0 -2.5447187 -6.8642073 -3.3726044 1 479 1 +ATOM P P . DT B0 2 8 . 8 DT B0 P 0 -3.0507607 -11.373543 1.2376862 1 480 1 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 0 -2.1035 -10.519394 1.9907569 1 481 1 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 0 -3.988563 -12.272585 1.9606247 1 482 1 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 0 -2.2112064 -12.241615 0.20548883 1 483 1 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 0 -2.9074655 -13.025455 -0.7383172 1 484 1 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 0 -1.9563825 -13.608582 -1.7688823 1 485 1 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 0 -1.6719068 -12.624737 -2.7979348 1 486 1 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 0 -0.59673506 -14.082846 -1.2401764 1 487 1 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 0 -0.43027264 -15.436417 -1.6570778 1 488 1 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 0 0.41511196 -13.153661 -1.9099753 1 489 1 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 0 -0.3205964 -12.745502 -3.1771626 1 490 1 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 0 0.051210985 -11.442029 -3.796324 1 491 1 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 0 0.16952723 -11.384218 -5.179737 1 492 1 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 0 0.023492202 -12.354612 -5.902467 1 493 1 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 0 0.46515197 -10.143121 -5.6845984 1 494 1 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 0 0.6506275 -8.991387 -4.9523973 1 495 1 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 0 0.9037373 -7.923771 -5.5117903 1 496 1 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 0 0.5176446 -9.118223 -3.517755 1 497 1 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 0 0.70820594 -7.9147263 -2.638586 1 498 1 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 0 0.22601216 -10.326105 -3.0170555 1 499 1 +ATOM P P . DC B0 2 9 . 9 DC B0 P 0 0.8910711 -16.28463 -1.1825378 1 500 1 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 0 1.5493783 -15.623991 -0.025408374 1 501 1 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 0 0.4454584 -17.697931 -1.0852926 1 502 1 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 0 1.8570102 -16.154099 -2.4442823 1 503 1 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 0 1.3287781 -16.418255 -3.7235286 1 504 1 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 0 2.395678 -16.261074 -4.7823825 1 505 1 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 0 2.3892283 -14.880362 -5.2633505 1 506 1 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 0 3.8260376 -16.554527 -4.324089 1 507 1 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 0 4.4272404 -17.47038 -5.2269335 1 508 1 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 0 4.5165977 -15.193652 -4.368063 1 509 1 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 0 3.7182956 -14.467201 -5.428663 1 510 1 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 0 3.747326 -12.988161 -5.3399534 1 511 1 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 0 3.9117968 -12.233345 -6.5102577 1 512 1 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 0 4.005454 -12.824661 -7.5976114 1 513 1 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 0 3.9582343 -10.885429 -6.4334836 1 514 1 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 0 3.852582 -10.290614 -5.2420187 1 515 1 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 0 3.9093485 -8.955341 -5.2087183 1 516 1 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 0 3.6860824 -11.033155 -4.0348716 1 517 1 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 0 3.6352313 -12.369469 -4.133319 1 518 1 +ATOM P P . DC B0 2 10 . 10 DC B0 P 0 5.8566103 -18.149216 -4.869726 1 519 1 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 0 6.307996 -17.72443 -3.5174184 1 520 1 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 0 5.7085757 -19.59211 -5.199426 1 521 1 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 0 6.837407 -17.487764 -5.9435472 1 522 1 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 0 6.4157286 -17.404419 -7.289688 1 523 1 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 0 7.238473 -16.387419 -8.0252285 1 524 1 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 0 6.7921762 -15.039789 -7.6780195 1 525 1 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 0 8.74188 -16.424477 -7.730174 1 526 1 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 0 9.464394 -16.430544 -8.945747 1 527 1 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 0 8.984889 -15.13199 -6.9692345 1 528 1 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 0 7.926405 -14.237607 -7.5904145 1 529 1 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 0 7.6474876 -13.009665 -6.822553 1 530 1 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 0 7.6109447 -11.802349 -7.518113 1 531 1 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 0 7.7487903 -11.807955 -8.745583 1 532 1 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 0 7.4289055 -10.652447 -6.827772 1 533 1 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 0 7.281364 -10.686746 -5.4988294 1 534 1 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 0 7.113885 -9.5295315 -4.8646355 1 535 1 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 0 7.305753 -11.917162 -4.768448 1 536 1 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 0 7.4858565 -13.043395 -5.469163 1 537 1 +ATOM P P . DT B0 2 11 . 11 DT B0 P 0 11.068796 -16.620401 -8.957594 1 538 1 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 0 11.652994 -16.351807 -7.6180058 1 539 1 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 0 11.315853 -17.910694 -9.640457 1 540 1 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 0 11.530109 -15.434494 -9.924662 1 541 1 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 0 10.781223 -15.16609 -11.098852 1 542 1 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 0 11.158916 -13.809092 -11.659596 1 543 1 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 0 10.680164 -12.763461 -10.773291 1 544 1 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 0 12.659952 -13.591737 -11.807812 1 545 1 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 0 12.906143 -12.967193 -13.06761 1 546 1 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 0 13.019575 -12.676813 -10.631352 1 547 1 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 0 11.732967 -11.879787 -10.44974 1 548 1 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 0 11.487673 -11.351135 -9.082618 1 549 1 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 0 11.302067 -9.991079 -8.924122 1 550 1 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 0 11.350939 -9.193132 -9.844044 1 551 1 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 0 11.059139 -9.58773 -7.6405478 1 552 1 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 0 10.980712 -10.392051 -6.518087 1 553 1 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 0 10.7475 -9.913733 -5.4115114 1 554 1 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 0 11.185962 -11.807287 -6.7552857 1 555 1 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 0 11.124396 -12.767191 -5.5983424 1 556 1 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 0 11.422585 -12.214129 -8.004681 1 557 1 +ATOM P P . DT B0 2 12 . 12 DT B0 P 0 14.399605 -12.866843 -13.657093 1 558 1 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 0 15.376668 -13.400179 -12.659709 1 559 1 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 0 14.351942 -13.414355 -15.028769 1 560 1 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 0 14.630628 -11.295237 -13.763211 1 561 1 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 0 14.029394 -10.470238 -12.806057 1 562 1 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 0 14.17473 -9.015921 -13.1558275 1 563 1 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 0 13.710559 -8.281244 -12.006954 1 564 1 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 0 15.609253 -8.536328 -13.380718 1 565 1 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 0 15.576902 -7.39734 -14.249655 1 566 1 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 0 16.070967 -8.208752 -11.960823 1 567 1 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 0 14.792063 -7.7122087 -11.295262 1 568 1 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 0 14.641873 -8.0829 -9.861288 1 569 1 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 0 14.203388 -7.1180067 -8.98494 1 570 1 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 0 13.94619 -5.975988 -9.3282795 1 571 1 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 0 14.076538 -7.5290976 -7.678218 1 572 1 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 0 14.336051 -8.78936 -7.1824217 1 573 1 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 0 14.18013 -9.036768 -5.994356 1 574 1 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 0 14.789314 -9.759309 -8.157699 1 575 1 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 0 15.1031 -11.156652 -7.718128 1 576 1 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 0 14.91472 -9.363121 -9.435274 1 577 1 +ATOM P P . DT B0 2 13 . 13 DT B0 P 0 16.916328 -6.547341 -14.480965 1 578 1 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 0 18.11359 -7.35606 -14.137535 1 579 1 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 0 16.76369 -5.975517 -15.844883 1 580 1 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 0 16.81258 -5.3469515 -13.433575 1 581 1 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 0 15.637457 -4.5477605 -13.41076 1 582 1 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 0 15.769337 -3.410967 -12.4137 1 583 1 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 0 15.682433 -3.9149904 -11.055441 1 584 1 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 0 17.069496 -2.6195416 -12.48032 1 585 1 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 0 16.728436 -1.2412369 -12.363825 1 586 1 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 0 17.87764 -3.1210153 -11.27911 1 587 1 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 0 16.770176 -3.4337058 -10.284862 1 588 1 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 0 17.037567 -4.465921 -9.24045 1 589 1 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 0 16.69202 -4.1704273 -7.9399652 1 590 1 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 0 16.240128 -3.086586 -7.5912824 1 591 1 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 0 16.886827 -5.18844 -7.0474753 1 592 1 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 0 17.384779 -6.4496207 -7.3147554 1 593 1 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 0 17.504372 -7.2822866 -6.42317 1 594 1 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 0 17.736744 -6.6920853 -8.696116 1 595 1 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 0 18.29591 -8.027872 -9.088469 1 596 1 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 0 17.543518 -5.70362 -9.580515 1 597 1 +ATOM P P . DT B0 2 14 . 14 DT B0 P 0 17.848473 -0.07856526 -12.419523 1 598 1 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 0 19.11938 -0.66094536 -12.904709 1 599 1 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 0 17.220562 1.0624714 -13.142364 1 600 1 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 0 18.04038 0.35846603 -10.901701 1 601 1 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 0 16.905163 0.80665195 -10.170886 1 602 1 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 0 17.278751 1.095854 -8.726614 1 603 1 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 0 17.51529 -0.14262375 -8.010641 1 604 1 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 0 18.53196 1.940707 -8.528548 1 605 1 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 0 18.19492 2.9662137 -7.6070924 1 606 1 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 0 19.566372 0.9663971 -7.9603353 1 607 1 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 0 18.675507 -0.008590665 -7.20933 1 608 1 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 0 19.195972 -1.3847085 -6.96955 1 609 1 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 0 19.048672 -1.9230317 -5.709764 1 610 1 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 0 18.556871 -1.3205273 -4.7682457 1 611 1 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 0 19.493645 -3.2025366 -5.577387 1 612 1 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 0 20.064434 -3.9817314 -6.560031 1 613 1 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 0 20.42937 -5.130489 -6.3317895 1 614 1 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 0 20.192568 -3.3568528 -7.850935 1 615 1 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 0 20.80475 -4.113586 -8.993736 1 616 1 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 0 19.753716 -2.102787 -7.9925127 1 617 1 +ATOM P P . DA B0 2 15 . 15 DA B0 P 0 19.217457 4.0964985 -7.159339 1 618 1 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 0 20.448288 4.0175476 -7.989688 1 619 1 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 0 18.437374 5.3610506 -7.0900636 1 620 1 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 0 19.603682 3.667304 -5.6774664 1 621 1 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 0 18.593346 3.2753615 -4.7744255 1 622 1 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 0 19.197554 2.9029877 -3.438024 1 623 1 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 0 19.63636 1.5151043 -3.4589348 1 624 1 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 0 20.405758 3.730809 -3.0147166 1 625 1 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 0 20.201 4.131805 -1.6677713 1 626 1 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 0 21.588345 2.7694259 -3.1923094 1 627 1 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 0 20.94633 1.4099672 -2.9468122 1 628 1 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 0 21.559486 0.26321852 -3.6105444 1 629 1 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 0 21.960638 0.16698998 -4.9133034 1 630 1 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 0 22.44035 -1.0068398 -5.238074 1 631 1 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 0 22.34555 -1.7438629 -4.0626016 1 632 1 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 0 22.688965 -3.0728312 -3.746892 1 633 1 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 0 23.214466 -3.9279556 -4.620492 1 634 1 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 0 22.47068 -3.4919512 -2.4807749 1 635 1 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 0 21.944391 -2.6350598 -1.600811 1 636 1 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 0 21.579445 -1.365098 -1.7874258 1 637 1 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 0 21.807228 -0.97175825 -3.0560093 1 638 1 +ATOM P P . DT B0 2 16 . 16 DT B0 P 0 21.281033 4.9443254 -0.8254609 1 639 1 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 0 22.337576 5.460062 -1.7288773 1 640 1 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 0 20.556755 5.8743753 0.07536605 1 641 1 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 0 21.92143 3.7882934 0.0533154 1 642 1 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 0 21.078953 2.8689823 0.7378529 1 643 1 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 0 21.920214 1.9201345 1.5519872 1 644 1 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 0 22.38529 0.8191795 0.70701075 1 645 1 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 0 23.164602 2.5405166 2.172362 1 646 1 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 0 23.336193 2.0417438 3.4859934 1 647 1 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 0 24.294216 2.0475645 1.2646452 1 648 1 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 0 23.778206 0.6588365 0.901747 1 649 1 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 0 24.346554 0.0221819 -0.30962378 1 650 1 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 0 24.596031 -1.3342955 -0.26152223 1 651 1 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 0 24.37681 -2.026348 0.7233284 1 652 1 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 0 25.108692 -1.8712064 -1.4103832 1 653 1 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 0 25.383198 -1.1916314 -2.5795627 1 654 1 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 0 25.843174 -1.7852024 -3.5508263 1 655 1 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 0 25.098068 0.22718132 -2.561939 1 656 1 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 0 25.377224 1.0719732 -3.7857819 1 657 1 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 0 24.59449 0.7590221 -1.4397472 1 658 1 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 0 -19.76361 -6.0939693 7.6527157 1 659 1 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 0 -19.546196 -6.2697325 6.2106075 1 660 1 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 0 -20.341843 -5.3329754 5.328333 1 661 1 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 0 -20.234192 -5.3994565 4.0946975 1 662 1 +ATOM N N . SER C0 3 2 . 2 SER C0 N 0 -21.11052 -4.4424486 5.948159 1 663 1 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 0 -21.959614 -3.5226104 5.2069054 1 664 1 +ATOM C C . SER C0 3 2 . 2 SER C0 C 0 -21.307562 -2.1699107 4.9572144 1 665 1 +ATOM O O . SER C0 3 2 . 2 SER C0 O 0 -21.790092 -1.3955148 4.1265097 1 666 1 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 0 -23.291876 -3.324274 5.9457493 1 667 1 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 0 -23.098427 -2.7172987 7.21161 1 668 1 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 0 -20.19869 -1.9003112 5.652818 1 669 1 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 0 -19.500786 -0.6282941 5.4888496 1 670 1 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 0 -18.472422 -0.69268167 4.360002 1 671 1 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 0 -17.814674 -1.7167755 4.153147 1 672 1 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 0 -18.824017 -0.21231079 6.797338 1 673 1 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 0 -19.810919 0.07469798 7.943568 1 674 1 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 0 -19.160324 0.9143466 9.052567 1 675 1 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 0 -19.047848 2.3655155 8.645996 1 676 1 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 0 -18.496368 3.2227504 9.730349 1 677 1 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 0 -18.355204 0.38134235 3.6190443 1 678 1 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 0 -17.37115 0.49157202 2.5521638 1 679 1 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 0 -15.988605 0.24961913 3.1398144 1 680 1 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 0 -15.66488 0.7652269 4.2105284 1 681 1 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 0 -17.438879 1.8813107 1.9199457 1 682 1 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 0 -16.350323 2.1046505 0.8864181 1 683 1 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 0 -16.19375 3.5934918 0.5449023 1 684 1 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 0 -17.290745 4.073497 -0.38316256 1 685 1 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 0 -17.01293 5.4375496 -0.86536336 1 686 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 -15.186695 -0.5374184 2.4566092 1 687 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 -13.856657 -0.89098203 2.951855 1 688 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 -12.900936 0.2931496 2.8585334 1 689 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 -12.7295685 0.8740976 1.7832642 1 690 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 -13.310237 -2.0971155 2.1558144 1 691 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 -12.081003 -2.7339442 2.7696738 1 692 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 -11.398706 -3.6886997 1.762094 1 693 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 -12.207635 -4.9623528 1.4978943 1 694 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 -12.298493 -5.854717 2.6920414 1 695 1 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 0 -12.275646 0.63882643 3.981282 1 696 1 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 0 -11.3392105 1.7593954 4.043739 1 697 1 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 0 -10.14896 1.5486434 3.106896 1 698 1 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 0 -9.683539 0.4196174 2.9181156 1 699 1 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 0 -10.850312 1.995103 5.5006433 1 700 1 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 0 -10.089644 3.3198996 5.6074667 1 701 1 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 0 -9.981553 0.82992154 5.9684563 1 702 1 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 0 -9.751768 3.7294502 7.0483685 1 703 1 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 0 -9.6749115 2.6296153 2.5149708 1 704 1 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 0 -8.524169 2.5489767 1.6240883 1 705 1 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 0 -7.234837 2.729351 2.4120579 1 706 1 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 0 -7.237791 3.3822854 3.4698565 1 707 1 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 0 -8.634153 3.6181207 0.52571154 1 708 1 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 0 -10.02758 3.7343435 0.008482798 1 709 1 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 0 -10.243106 4.216153 -1.4240382 1 710 1 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 0 -9.054643 4.279939 -2.2519088 1 711 1 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 0 -9.055622 4.6687984 -3.5157084 1 712 1 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 0 -10.184159 5.0396395 -4.092308 1 713 1 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 0 -7.9185486 4.692198 -4.194899 1 714 1 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 0 -6.1444874 2.1760173 1.8942689 1 715 1 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 0 -4.8639812 2.2399185 2.5772228 1 716 1 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 0 -4.416479 3.6689584 2.8784633 1 717 1 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 0 -3.9840615 3.9663868 3.9965868 1 718 1 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 0 -3.783896 1.5103934 1.7629826 1 719 1 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 0 -2.3494406 1.5657203 2.3190227 1 720 1 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 0 -1.3923296 0.8713287 1.3549623 1 721 1 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 0 -2.2703533 0.94720304 3.7022045 1 722 1 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 0 -4.521592 4.5678825 1.8938708 1 723 1 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 0 -4.0678024 5.938939 2.1147351 1 724 1 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 0 -4.840116 6.633216 3.2270372 1 725 1 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 0 -4.279051 7.444927 3.9774857 1 726 1 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 0 -4.087164 6.765482 0.8156897 1 727 1 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 0 -5.453585 7.1468296 0.2923131 1 728 1 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 0 -6.0238485 6.4846883 -0.7834917 1 729 1 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 0 -6.1635504 8.205702 0.86244476 1 730 1 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 0 -7.2659016 6.849064 -1.2805798 1 731 1 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 0 -7.4069405 8.571974 0.37180436 1 732 1 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 0 -7.948982 7.887863 -0.69167614 1 733 1 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 0 -9.182278 8.251886 -1.1873164 1 734 1 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 0 -6.137888 6.3036585 3.3759348 1 735 1 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 0 -6.942459 6.885604 4.442834 1 736 1 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 0 -6.5417495 6.3303804 5.796411 1 737 1 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 0 -6.5098076 7.0508556 6.7912188 1 738 1 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 0 -8.431147 6.642317 4.20374 1 739 1 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 0 -9.1500635 7.8212733 3.5720487 1 740 1 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 0 -9.019655 9.091598 4.4005437 1 741 1 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 0 -8.959613 9.090549 5.6348495 1 742 1 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 0 -8.9643755 10.234746 3.7179213 1 743 1 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 0 -6.25099 5.0348196 5.840849 1 744 1 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 0 -5.800028 4.3710017 7.0596676 1 745 1 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 0 -4.5294905 5.037597 7.5816684 1 746 1 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 0 -4.416194 5.3501573 8.767997 1 747 1 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 0 -5.5440197 2.886288 6.7852254 1 748 1 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 0 -4.884701 2.1375663 7.911957 1 749 1 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 0 -3.5362 1.8060642 7.8522105 1 750 1 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 0 -5.6107426 1.7449492 9.024591 1 751 1 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 0 -2.9263432 1.1058137 8.88682 1 752 1 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 0 -5.0089903 1.0439228 10.060937 1 753 1 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 0 -3.6610851 0.7229921 9.993076 1 754 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 -3.586893 5.296082 6.6826878 1 755 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 -2.320611 5.917714 7.0521517 1 756 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 -2.4868953 7.3731537 7.473439 1 757 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 -1.9289691 7.802885 8.481741 1 758 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 -1.3233926 5.8194036 5.889696 1 759 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 -0.9523293 4.396657 5.456712 1 760 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 -0.053659685 4.4425526 4.2202873 1 761 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 -0.26541045 3.6594496 6.5987415 1 762 1 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 0 -3.2733998 8.122963 6.7117543 1 763 1 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 0 -3.5175095 9.527229 7.036618 1 764 1 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 0 -4.205268 9.644342 8.389839 1 765 1 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 0 -3.8468745 10.504581 9.205741 1 766 1 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 0 -4.368112 10.189323 5.9508476 1 767 1 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 0 -4.6635113 11.675453 6.1415663 1 768 1 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 0 -5.525258 12.18629 4.987317 1 769 1 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 0 -3.3714156 12.484908 6.237426 1 770 1 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 0 -5.174388 8.772801 8.647407 1 771 1 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 0 -5.880617 8.765869 9.9261875 1 772 1 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 0 -4.915492 8.521296 11.081699 1 773 1 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 0 -5.0131016 9.175375 12.123318 1 774 1 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 0 -6.979459 7.6939707 9.937994 1 775 1 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 0 -8.164734 8.040536 9.049164 1 776 1 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 0 -8.2065735 9.175023 8.514671 1 777 1 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 0 -9.062496 7.190271 8.875467 1 778 1 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 0 -3.9873638 7.5857725 10.906803 1 779 1 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 0 -2.9916248 7.29321 11.933687 1 780 1 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 0 -2.1326144 8.520664 12.228796 1 781 1 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 0 -1.8868266 8.858551 13.389235 1 782 1 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 0 -2.0729175 6.145088 11.50643 1 783 1 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 0 -2.5424147 4.701697 11.669597 1 784 1 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 0 -1.3238058 3.782124 11.5995865 1 785 1 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 0 -3.260464 4.509285 12.995094 1 786 1 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 0 -1.6627061 9.161736 11.161044 1 787 1 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 0 -0.7999891 10.326298 11.308411 1 788 1 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 0 -1.5076678 11.482496 12.005888 1 789 1 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 0 -0.90116787 12.191201 12.809231 1 790 1 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 0 -0.27760965 10.770479 9.938123 1 791 1 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 0 0.8576516 9.901948 9.381683 1 792 1 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 0 0.9989816 10.096465 7.8825727 1 793 1 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 0 2.1674092 10.217478 10.096345 1 794 1 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 0 -2.7881494 11.653671 11.718096 1 795 1 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 0 -3.5512462 12.737522 12.316106 1 796 1 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 0 -4.0198736 12.413868 13.737258 1 797 1 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 0 -4.2480154 13.32874 14.532322 1 798 1 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 0 -4.740424 13.110277 11.41897 1 799 1 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 0 -4.295829 13.799068 10.141901 1 800 1 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 0 -5.455581 14.173264 9.2317915 1 801 1 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 0 -4.978827 14.977456 8.107704 1 802 1 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 0 -5.736948 15.407078 7.0982504 1 803 1 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 0 -7.0300713 15.103757 7.0769453 1 804 1 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 0 -5.202059 16.127995 6.121315 1 805 1 +ATOM N N . SER C0 3 18 . 18 SER C0 N 0 -4.1600447 11.138637 14.040107 1 806 1 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 0 -4.549445 10.70269 15.389293 1 807 1 +ATOM C C . SER C0 3 18 . 18 SER C0 C 0 -3.353601 10.761009 16.330961 1 808 1 +ATOM O O . SER C0 3 18 . 18 SER C0 O 0 -3.459383 11.218999 17.46584 1 809 1 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 0 -5.073004 9.269335 15.366491 1 810 1 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 0 -5.9994516 9.07864 14.345524 1 811 1 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 0 -2.2363863 10.278646 15.851973 1 812 1 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 0 -1.0203911 10.248249 16.646698 1 813 1 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 0 -0.6633062 8.870628 17.171867 1 814 1 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 0 0.32371223 8.718028 17.888266 1 815 1 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 0 -1.4522789 7.8362327 16.855991 1 816 1 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 0 -1.1267765 6.483863 17.291521 1 817 1 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 0 -0.044967577 5.9145384 16.383228 1 818 1 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 0 0.12551628 6.3715844 15.243605 1 819 1 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 0 -2.3764966 5.594141 17.261768 1 820 1 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 0 -2.2430658 4.361328 18.132294 1 821 1 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 0 -1.2535079 4.2621837 18.903658 1 822 1 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 0 -3.123482 3.475572 18.073147 1 823 1 +ATOM N N . MET C0 3 21 . 21 MET C0 N 0 0.6750103 4.936875 16.873184 1 824 1 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 0 1.7548165 4.2751107 16.144703 1 825 1 +ATOM C C . MET C0 3 21 . 21 MET C0 C 0 2.8642678 5.237646 15.719778 1 826 1 +ATOM O O . MET C0 3 21 . 21 MET C0 O 0 3.4145057 5.1329136 14.623661 1 827 1 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 0 1.2125913 3.5325055 14.919233 1 828 1 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 0 0.058917094 2.6026988 15.239217 1 829 1 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 0 -0.07377539 1.2046592 14.091494 1 830 1 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 0 1.2319533 0.1506953 14.710487 1 831 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 3.224154 6.19104 16.620579 1 832 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 4.2961674 7.138481 16.337435 1 833 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 5.6491666 6.4422936 16.249962 1 834 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 6.6031275 6.9946566 15.706006 1 835 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 4.343583 8.237788 17.404354 1 836 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 3.1723654 9.19837 17.35123 1 837 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 3.3639178 10.330649 18.360048 1 838 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 2.1230268 11.190186 18.517006 1 839 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 1.91202 12.104265 17.349716 1 840 1 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 0 5.724971 5.2229204 16.811916 1 841 1 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 0 6.942089 4.4235816 16.714554 1 842 1 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 0 7.1033063 3.8650675 15.301367 1 843 1 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 0 8.210077 3.5318913 14.886834 1 844 1 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 0 6.90854 3.2533174 17.701302 1 845 1 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 0 7.0529532 3.6914854 19.14324 1 846 1 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 0 7.996683 4.455162 19.441128 1 847 1 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 0 6.222164 3.2791023 19.980967 1 848 1 +ATOM N N . SER C0 3 24 . 24 SER C0 N 0 5.9853363 3.7613132 14.595552 1 849 1 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 0 5.957815 3.1355357 13.274083 1 850 1 +ATOM C C . SER C0 3 24 . 24 SER C0 C 0 5.9252505 4.1225605 12.107716 1 851 1 +ATOM O O . SER C0 3 24 . 24 SER C0 O 0 6.5094614 3.8532524 11.05555 1 852 1 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 0 4.7459955 2.2046292 13.15498 1 853 1 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 0 4.7246675 1.2532785 14.215046 1 854 1 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 0 5.237774 5.2537317 12.288192 1 855 1 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 0 5.061194 6.2167583 11.215849 1 856 1 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 0 4.935519 7.63603 11.766336 1 857 1 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 0 4.3385043 7.847369 12.824402 1 858 1 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 0 3.8298304 5.8601856 10.348111 1 859 1 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 0 3.7354965 6.757468 9.113018 1 860 1 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 0 2.5415213 5.943926 11.174327 1 861 1 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 0 2.6356394 6.3408813 8.1317215 1 862 1 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 0 5.5013976 8.613146 11.067284 1 863 1 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 0 5.4766073 10.006945 11.52551 1 864 1 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 0 5.583847 10.95674 10.346222 1 865 1 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 0 5.9960217 10.58115 9.24677 1 866 1 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 0 6.6491117 10.281393 12.481152 1 867 1 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 0 7.975034 9.846258 11.918076 1 868 1 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 0 8.769295 10.520966 11.041785 1 869 1 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 0 8.654137 8.6067295 12.173993 1 870 1 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 0 9.892461 9.785496 10.744264 1 871 1 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 0 9.841169 8.603759 11.42976 1 872 1 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 0 8.362631 7.5059624 12.97904 1 873 1 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 0 10.750391 7.559357 11.445501 1 874 1 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 0 9.262262 6.4566445 13.0015135 1 875 1 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 0 10.439004 6.476556 12.242783 1 876 1 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 0 5.1992397 12.222625 10.594552 1 877 1 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 0 5.349535 13.248015 9.584074 1 878 1 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 0 6.8111086 13.67708 9.496647 1 879 1 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 0 7.4490767 13.928652 10.521411 1 880 1 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 0 4.5148745 14.494181 9.930277 1 881 1 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 0 3.0270824 14.33508 9.852048 1 882 1 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 0 2.140956 14.394934 10.8866205 1 883 1 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 0 2.232417 14.13879 8.671228 1 884 1 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 0 0.85363424 14.237447 10.434996 1 885 1 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 0 0.8762671 14.072699 9.072329 1 886 1 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 0 2.5440722 13.995319 7.308832 1 887 1 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 0 -0.1674521 13.892239 8.169193 1 888 1 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 0 1.4988571 13.802496 6.411076 1 889 1 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 0 0.16539147 13.743511 6.8476915 1 890 1 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 0 7.314901 13.791189 8.27096 1 891 1 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 0 8.6592865 14.317754 8.041922 1 892 1 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 0 8.520881 15.807962 7.7485857 1 893 1 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 0 9.298819 16.627518 8.224335 1 894 1 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 0 9.343658 13.605293 6.857375 1 895 1 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 0 10.614196 14.3486 6.453348 1 896 1 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 0 9.67229 12.163866 7.2349453 1 897 1 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 0 7.48548 16.138838 6.9811254 1 898 1 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 0 7.1476793 17.520967 6.654378 1 899 1 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 0 5.6260576 17.569542 6.5471087 1 900 1 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 0 5.05869 17.257198 5.5035467 1 901 1 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 0 7.804433 17.932024 5.3359904 1 902 1 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 0 7.6126595 19.403713 5.0049605 1 903 1 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 0 6.617298 20.000895 5.467105 1 904 1 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 0 8.454614 19.96599 4.2704773 1 905 1 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 0 4.9902544 17.95066 7.6526012 1 906 1 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 0 3.5436091 17.923912 7.7675037 1 907 1 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 0 2.8230746 18.789711 6.7399216 1 908 1 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 0 1.8290367 18.369259 6.150782 1 909 1 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 0 3.1332722 18.338467 9.182343 1 910 1 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 0 1.6683793 18.150333 9.499062 1 911 1 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 0 1.4151645 18.506245 10.954016 1 912 1 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 0 -0.053349223 18.341982 11.321937 1 913 1 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 0 -0.27314758 18.660074 12.747843 1 914 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 3.329431 19.985727 6.526038 1 915 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 2.7202783 20.907196 5.5807285 1 916 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 2.787882 20.409418 4.137991 1 917 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 1.9123945 20.706078 3.3357081 1 918 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 3.3757956 22.292542 5.6772957 1 919 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 3.1908665 22.934032 7.0335994 1 920 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 2.032169 22.985485 7.512831 1 921 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 4.191841 23.37241 7.628506 1 922 1 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 0 3.8325932 19.652401 3.8352873 1 923 1 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 0 4.0117474 19.117287 2.492879 1 924 1 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 0 3.3715596 17.734291 2.3385687 1 925 1 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 0 3.2192793 17.23603 1.2181189 1 926 1 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 0 5.498366 19.043903 2.1482816 1 927 1 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 0 5.7638097 18.89821 0.6546636 1 928 1 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 0 7.217617 19.185287 0.30791044 1 929 1 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 0 7.432138 19.247276 -1.1962552 1 930 1 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 0 6.554251 20.278526 -1.8371074 1 931 1 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 0 2.9891217 17.126934 3.457257 1 932 1 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 0 2.3696332 15.811782 3.4316578 1 933 1 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 0 3.3637843 14.668269 3.3337452 1 934 1 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 0 3.00847 13.565847 2.9119802 1 935 1 +ATOM N N . THR C0 3 34 . 34 THR C0 N 0 4.5976505 14.9275 3.7397294 1 936 1 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 0 5.642762 13.917332 3.656299 1 937 1 +ATOM C C . THR C0 3 34 . 34 THR C0 C 0 5.735698 13.133285 4.961301 1 938 1 +ATOM O O . THR C0 3 34 . 34 THR C0 O 0 5.809029 13.726313 6.037013 1 939 1 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 0 7.0143747 14.559299 3.3529515 1 940 1 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 0 6.894782 15.361527 2.1735349 1 941 1 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 0 8.069784 13.489466 3.1282964 1 942 1 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 0 5.6978064 11.801573 4.8605657 1 943 1 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 0 5.743395 10.946848 6.0409427 1 944 1 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 0 6.7452393 9.814977 5.8555293 1 945 1 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 0 7.184693 9.530829 4.747798 1 946 1 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 0 4.3477526 10.391847 6.358468 1 947 1 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 0 3.7449567 9.559753 5.24968 1 948 1 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 0 3.1257052 10.163797 4.163376 1 949 1 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 0 3.7894268 8.172083 5.3008947 1 950 1 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 0 2.56457 9.396154 3.1427226 1 951 1 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 0 3.2300258 7.403177 4.287836 1 952 1 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 0 2.6184902 8.015232 3.209814 1 953 1 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 0 7.1176147 9.185066 6.9735394 1 954 1 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 0 8.138391 8.144432 6.925411 1 955 1 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 0 7.8516326 6.988558 7.878847 1 956 1 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 0 7.3197646 7.1952753 8.9692545 1 957 1 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 0 9.499155 8.749464 7.257679 1 958 1 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 0 10.673191 7.7829576 7.156184 1 959 1 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 0 12.019264 8.480225 7.2558894 1 960 1 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 0 12.72294 8.675219 6.264454 1 961 1 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 0 12.364536 8.901232 8.4654045 1 962 1 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 0 8.191847 5.775283 7.438364 1 963 1 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 0 8.025433 4.583016 8.255203 1 964 1 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 0 9.31011 4.279752 9.024444 1 965 1 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 0 10.400593 4.5778894 8.5585375 1 966 1 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 0 7.6901875 3.3638957 7.3841276 1 967 1 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 0 6.3595448 3.440011 6.697975 1 968 1 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 0 6.280798 3.7437696 5.343462 1 969 1 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 0 5.1876345 3.2076523 7.403924 1 970 1 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 0 5.05044 3.8190875 4.699934 1 971 1 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 0 3.951605 3.2798748 6.7692046 1 972 1 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 0 3.8798904 3.5823934 5.4181967 1 973 1 +ATOM N N . SER C0 3 38 . 38 SER C0 N 0 9.162398 3.6753752 10.194458 1 974 1 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 0 10.315151 3.2407463 10.989236 1 975 1 +ATOM C C . SER C0 3 38 . 38 SER C0 C 0 10.828846 1.9073938 10.446909 1 976 1 +ATOM O O . SER C0 3 38 . 38 SER C0 O 0 10.035086 1.0319622 10.10344 1 977 1 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 0 9.911025 3.0706708 12.452436 1 978 1 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 0 10.841244 2.2584977 13.145389 1 979 1 +ATOM N N . SER C0 3 39 . 39 SER C0 N 0 12.131437 1.7379408 10.388924 1 980 1 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 0 12.717536 0.46786064 9.954341 1 981 1 +ATOM C C . SER C0 3 39 . 39 SER C0 C 0 12.31467 -0.6699023 10.891306 1 982 1 +ATOM O O . SER C0 3 39 . 39 SER C0 O 0 11.9293375 -1.7496526 10.440396 1 983 1 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 0 14.241335 0.5616845 9.910154 1 984 1 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 0 14.666631 1.4009013 8.843595 1 985 1 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 0 12.383593 -0.4103733 12.197932 1 986 1 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 0 12.133472 -1.4451028 13.197126 1 987 1 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 0 10.659768 -1.7155864 13.500524 1 988 1 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 0 10.3236885 -2.8122652 13.948008 1 989 1 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 0 12.871617 -1.1133003 14.500277 1 990 1 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 0 14.382077 -1.211498 14.375527 1 991 1 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 0 15.07036 -0.97931683 15.712547 1 992 1 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 0 16.57883 -1.1381018 15.570601 1 993 1 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 0 17.282848 -0.95147026 16.871696 1 994 1 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 0 9.795766 -0.74999803 13.287062 1 995 1 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 0 8.401776 -0.91503865 13.684181 1 996 1 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 0 7.374303 -0.88497025 12.553881 1 997 1 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 0 6.174389 -0.8702482 12.807348 1 998 1 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 0 8.037462 0.13542034 14.74654 1 999 1 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 0 8.92791 0.088004455 15.947008 1 1000 1 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 0 9.981961 0.9685925 16.128891 1 1001 1 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 0 8.948502 -0.73399335 17.019733 1 1002 1 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 0 10.612118 0.67213184 17.262936 1 1003 1 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 0 9.9932165 -0.36624536 17.81711 1 1004 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 7.84294 -0.88894683 11.317774 1 1005 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 6.9356174 -0.8444606 10.170553 1 1006 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 6.062941 -2.086442 10.031124 1 1007 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 4.9241905 -1.9917066 9.566549 1 1008 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 7.7147565 -0.6090579 8.87176 1 1009 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 8.754999 -1.6603014 8.564188 1 1010 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 9.544218 -1.2598193 7.3161926 1 1011 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 10.579444 -2.3081305 6.905273 1 1012 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 11.678876 -2.4083555 7.8598223 1 1013 1 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 0 6.5648575 -3.2371552 10.445715 1 1014 1 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 0 5.8021193 -4.473977 10.345965 1 1015 1 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 0 4.572427 -4.4743433 11.250919 1 1016 1 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 0 3.5395427 -5.03942 10.887891 1 1017 1 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 0 6.683322 -5.688446 10.659343 1 1018 1 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 0 7.859317 -5.897564 9.693741 1 1019 1 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 0 7.428803 -6.23947 8.272688 1 1020 1 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 0 8.294415 -6.217564 7.371791 1 1021 1 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 0 6.2246437 -6.519421 8.054012 1 1022 1 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 0 4.686281 -3.8471634 12.41316 1 1023 1 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 0 3.5578635 -3.759457 13.338051 1 1024 1 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 0 2.4005327 -2.9905047 12.689646 1 1025 1 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 0 1.2403685 -3.399095 12.78027 1 1026 1 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 0 3.9798908 -3.0767908 14.631077 1 1027 1 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 0 2.7284622 -1.8970842 12.035086 1 1028 1 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 0 1.721228 -1.098118 11.357819 1 1029 1 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 0 1.0948563 -1.8667357 10.190365 1 1030 1 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 0 -0.11822525 -1.85137 10.012852 1 1031 1 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 0 2.326088 0.22066742 10.868856 1 1032 1 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 0 1.3589586 1.2442701 10.268247 1 1033 1 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 0 1.8820007 2.6538622 10.507385 1 1034 1 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 0 1.1192183 1.0001751 8.795856 1 1035 1 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 0 1.9436707 -2.5390184 9.415176 1 1036 1 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 0 1.460123 -3.314942 8.280176 1 1037 1 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 0 0.51623464 -4.422407 8.739648 1 1038 1 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 0 -0.51704 -4.6708593 8.118605 1 1039 1 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 0 2.6373477 -3.910141 7.505986 1 1040 1 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 0 0.87056404 -5.073268 9.830549 1 1041 1 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 0 0.04204649 -6.1447277 10.377724 1 1042 1 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 0 -1.3231348 -5.613326 10.801017 1 1043 1 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 0 -2.3489456 -6.2447205 10.549887 1 1044 1 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 0 0.7503288 -6.8269014 11.554943 1 1045 1 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 0 0.05987873 -8.084431 12.004057 1 1046 1 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 0 0.2692922 -8.649511 13.252258 1 1047 1 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 0 -0.82754064 -8.889355 11.385389 1 1048 1 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 0 -0.45941716 -9.745693 13.362764 1 1049 1 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 0 -1.1466837 -9.916336 12.248321 1 1050 1 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 0 -1.3571768 -4.4360504 11.429626 1 1051 1 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 0 -2.6191278 -3.8399 11.828245 1 1052 1 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 0 -3.486203 -3.5597682 10.601211 1 1053 1 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 0 -4.6959915 -3.751282 10.628198 1 1054 1 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 0 -2.3969984 -2.54152 12.602489 1 1055 1 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 0 -3.7101364 -1.8148586 12.879272 1 1056 1 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 0 -3.4943178 -0.4270605 13.410096 1 1057 1 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 0 -3.4850173 -0.39179474 14.852835 1 1058 1 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 0 -3.4392614 0.72718525 15.570259 1 1059 1 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 0 -3.431755 0.6550932 16.886303 1 1060 1 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 0 -3.424983 1.8967503 14.9724865 1 1061 1 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 0 -2.850872 -3.1228218 9.535121 1 1062 1 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 0 -3.5739605 -2.8667595 8.287367 1 1063 1 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 0 -4.2297945 -4.161804 7.80281 1 1064 1 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 0 -5.3985386 -4.156955 7.4111824 1 1065 1 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 0 -2.611685 -2.3252125 7.2253656 1 1066 1 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 0 -3.1707883 -2.2169492 5.8334494 1 1067 1 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 0 -2.6321697 -2.7367644 4.6937895 1 1068 1 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 0 -4.3783603 -1.5470177 5.4279346 1 1069 1 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 0 -3.4075851 -2.4361238 3.6105301 1 1070 1 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 0 -4.492238 -1.7058144 4.0251975 1 1071 1 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 0 -5.3672247 -0.8314092 6.103016 1 1072 1 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 0 -5.5581636 -1.1736577 3.2951179 1 1073 1 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 0 -6.433983 -0.30418256 5.377334 1 1074 1 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 0 -6.511272 -0.48352522 3.9874377 1 1075 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 -3.498894 -5.263574 7.8613997 1 1076 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 -4.0379314 -6.551665 7.4453363 1 1077 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 -5.2057924 -7.0059433 8.298981 1 1078 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 -6.193103 -7.537806 7.785475 1 1079 1 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 0 -5.1003637 -6.8054047 9.610655 1 1080 1 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 0 -6.1745963 -7.176693 10.535801 1 1081 1 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 0 -7.442518 -6.402151 10.182954 1 1082 1 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 0 -8.527639 -6.96812 10.105572 1 1083 1 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 0 -5.7708664 -6.875181 11.995785 1 1084 1 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 0 -4.5958066 -7.763211 12.414944 1 1085 1 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 0 -6.9616346 -7.088544 12.928312 1 1086 1 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 0 -3.9687948 -7.35905 13.745628 1 1087 1 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 0 -7.284616 -5.111212 9.966518 1 1088 1 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 0 -8.410875 -4.2520175 9.637722 1 1089 1 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 0 -9.103957 -4.6692576 8.336128 1 1090 1 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 0 -10.333065 -4.6580734 8.252249 1 1091 1 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 0 -7.949717 -2.8047752 9.536071 1 1092 1 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 0 -9.081407 -1.8417947 9.220847 1 1093 1 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 0 -8.735726 -0.41118357 9.585702 1 1094 1 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 0 -7.809063 -0.14994617 10.362911 1 1095 1 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 0 -9.486437 0.52921784 9.033908 1 1096 1 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 0 -8.326716 -5.0276375 7.332638 1 1097 1 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 0 -8.87928 -5.44432 6.0408382 1 1098 1 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 0 -9.455002 -6.8680654 6.0654507 1 1099 1 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 0 -10.189873 -7.249647 5.145715 1 1100 1 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 0 -7.8179913 -5.3509398 4.9526763 1 1101 1 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 0 -7.413252 -3.927086 4.5747385 1 1102 1 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 0 -8.518822 -3.1995816 3.8144195 1 1103 1 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 0 -8.855309 -3.8161452 2.448872 1 1104 1 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 0 -7.9014254 -3.3656044 1.4362004 1 1105 1 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 0 -9.143852 -7.631886 7.086131 1 1106 1 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 0 -9.621742 -9.004537 7.174544 1 1107 1 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 0 -8.98208 -9.915678 6.1440744 1 1108 1 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 0 -9.629852 -10.8428955 5.6530685 1 1109 1 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 0 -7.721782 -9.651411 5.8219047 1 1110 1 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 0 -6.99467 -10.471064 4.856285 1 1111 1 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 0 -6.8006573 -11.871792 5.416469 1 1112 1 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 0 -6.678151 -12.037159 6.6311216 1 1113 1 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 0 -5.6197457 -9.858438 4.547033 1 1114 1 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 0 -5.72233 -8.521222 3.8389368 1 1115 1 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 0 -4.7785683 -7.719411 3.8538122 1 1116 1 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 0 -6.8577538 -8.261301 3.1952379 1 1117 1 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 0 -6.778842 -12.876795 4.5239177 1 1118 1 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 0 -6.6056833 -14.251395 5.013048 1 1119 1 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 0 -5.168153 -14.508696 5.455797 1 1120 1 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 0 -4.9312706 -15.229852 6.4180565 1 1121 1 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 0 -7.069251 -15.265452 3.9473839 1 1122 1 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 0 -5.9980583 -15.80666 3.0215018 1 1123 1 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 0 -6.549162 -17.05548 2.2546618 1 1124 1 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 0 -7.3416643 -17.927135 3.1260502 1 1125 1 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 0 -6.9196773 -19.05088 3.6906316 1 1126 1 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 0 -7.694826 -19.728603 4.5200863 1 1127 1 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 0 -5.690424 -19.496758 3.446806 1 1128 1 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 0 -4.229793 -13.895472 4.7678175 1 1129 1 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 0 -2.817293 -14.026874 5.1356196 1 1130 1 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 0 -2.3342655 -12.805887 5.8985143 1 1131 1 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 0 -2.9777608 -11.758972 5.885036 1 1132 1 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 0 -1.950712 -14.229593 3.8906426 1 1133 1 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 0 -2.19044 -15.539381 3.1580765 1 1134 1 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 0 -1.0689133 -15.818786 2.1508574 1 1135 1 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 0 0.19697237 -16.239246 2.8636613 1 1136 1 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 0 1.2742634 -16.662193 1.9256642 1 1137 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 -1.2002466 -12.934511 6.5527744 1 1138 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 -0.62272644 -11.840914 7.3176394 1 1139 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 -0.073042504 -10.76115 6.3865414 1 1140 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 0.5725254 -11.072523 5.3833203 1 1141 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 0.4928977 -12.357784 8.226042 1 1142 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 1.046896 -11.307113 9.172591 1 1143 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 2.19326 -11.8776045 10.001712 1 1144 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 2.821412 -10.792024 10.868227 1 1145 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 4.0071707 -11.28495 11.615123 1 1146 1 +ATOM N N . MET C0 3 59 . 59 MET C0 N 0 -0.35011888 -9.5006695 6.728771 1 1147 1 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 0 0.14410669 -8.378437 5.933196 1 1148 1 +ATOM C C . MET C0 3 59 . 59 MET C0 C 0 1.5560875 -8.026466 6.3692923 1 1149 1 +ATOM O O . MET C0 3 59 . 59 MET C0 O 0 1.857138 -8.001491 7.5621243 1 1150 1 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 0 -0.78463554 -7.1578803 6.107485 1 1151 1 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 0 -0.32014155 -5.8994036 5.3666124 1 1152 1 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 0 -0.18874364 -6.091803 3.5665054 1 1153 1 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 0 -1.8995609 -6.462389 3.1387355 1 1154 1 +ATOM N N . THR C0 3 60 . 60 THR C0 N 0 2.4268582 -7.773347 5.4003086 1 1155 1 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 0 3.802775 -7.3900795 5.6695786 1 1156 1 +ATOM C C . THR C0 3 60 . 60 THR C0 C 0 4.043709 -5.9930887 5.1068172 1 1157 1 +ATOM O O . THR C0 3 60 . 60 THR C0 O 0 3.2766812 -5.5114155 4.2730436 1 1158 1 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 0 4.805324 -8.345011 5.0002737 1 1159 1 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 0 4.6296015 -8.273405 3.5759676 1 1160 1 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 0 4.591173 -9.780932 5.4684424 1 1161 1 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 0 5.1134853 -5.3498564 5.5619674 1 1162 1 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 0 5.438754 -4.033626 5.023535 1 1163 1 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 0 5.7069206 -4.126441 3.5164104 1 1164 1 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 0 5.3170447 -3.2361677 2.7513258 1 1165 1 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 0 6.65054 -3.409737 5.72631 1 1166 1 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 0 7.057385 -2.1132834 5.0604343 1 1167 1 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 0 8.1254425 -2.0644314 4.164135 1 1168 1 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 0 6.335771 -0.9451576 5.276709 1 1169 1 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 0 8.46052 -0.8850912 3.5108519 1 1170 1 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 0 6.665864 0.2373686 4.629345 1 1171 1 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 0 7.7265797 0.25659347 3.7485738 1 1172 1 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 0 8.05254 1.4231997 3.0986645 1 1173 1 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 0 6.3540773 -5.2007494 3.098754 1 1174 1 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 0 6.6805663 -5.3809404 1.6926305 1 1175 1 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 0 5.426468 -5.3292255 0.8125466 1 1176 1 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 0 5.4091787 -4.6564913 -0.21953455 1 1177 1 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 0 7.4073396 -6.7067432 1.4888214 1 1178 1 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 0 8.03512 -6.8415112 0.102960676 1 1179 1 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 0 8.882696 -8.084894 -0.041592766 1 1180 1 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 0 8.353902 -9.186189 -0.21516782 1 1181 1 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 0 10.19929 -7.928134 0.052174818 1 1182 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 4.371149 -6.0482054 1.2223258 1 1183 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 3.1195488 -6.045347 0.47165865 1 1184 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 2.3924885 -4.7136097 0.5703949 1 1185 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 1.762933 -4.2684627 -0.3930792 1 1186 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 2.2176356 -7.2025185 0.9244454 1 1187 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 2.6940382 -8.571391 0.4400461 1 1188 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 1.6682241 -9.675256 0.7109233 1 1189 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 1.5375973 -9.980131 2.2115724 1 1190 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 0.5792427 -11.068929 2.4563196 1 1191 1 +ATOM N N . MET C0 3 64 . 64 MET C0 N 0 2.4536924 -4.068986 1.7286574 1 1192 1 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 0 1.8136632 -2.773982 1.889579 1 1193 1 +ATOM C C . MET C0 3 64 . 64 MET C0 C 0 2.4947503 -1.7449708 0.9855195 1 1194 1 +ATOM O O . MET C0 3 64 . 64 MET C0 O 0 1.828099 -0.9189981 0.3601926 1 1195 1 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 0 1.8648422 -2.3066297 3.3465066 1 1196 1 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 0 0.98457515 -1.0779991 3.6003227 1 1197 1 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 0 0.8932351 -0.61207414 5.34842 1 1198 1 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 0 2.5581293 -0.026426405 5.6194897 1 1199 1 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 0 3.8295054 -1.8347204 0.9042479 1 1200 1 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 0 4.585576 -0.93562084 0.038390584 1 1201 1 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 0 4.2488694 -1.1801616 -1.427212 1 1202 1 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 0 4.1904855 -0.23894294 -2.224419 1 1203 1 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 0 6.0844927 -1.1182382 0.26583397 1 1204 1 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 0 4.0189347 -2.453731 -1.7948444 1 1205 1 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 0 3.6107748 -2.7929845 -3.1543021 1 1206 1 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 0 2.300497 -2.0711794 -3.4976313 1 1207 1 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 0 2.1704938 -1.4934013 -4.5904474 1 1208 1 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 0 3.4510756 -4.320892 -3.2865987 1 1209 1 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 0 2.7909038 -4.819113 -4.588913 1 1210 1 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 0 3.7644627 -4.911817 -5.77044 1 1211 1 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 0 3.6235735 -3.713191 -6.5961614 1 1212 1 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 0 3.087438 -3.6891565 -7.791919 1 1213 1 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 0 2.9977849 -2.5409777 -8.436099 1 1214 1 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 0 2.6103115 -4.810063 -8.349398 1 1215 1 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 0 1.3593024 -2.0846455 -2.574551 1 1216 1 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 0 0.080286875 -1.409245 -2.7693186 1 1217 1 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 0 0.27282226 0.10916692 -2.8179805 1 1218 1 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 0 -0.3362664 0.8058847 -3.634623 1 1219 1 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 0 -0.88919014 -1.7804334 -1.6556833 1 1220 1 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 0 1.1441579 0.6023252 -1.9193072 1 1221 1 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 0 1.4524096 2.0255818 -1.8553371 1 1222 1 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 0 2.0469697 2.5270627 -3.1707718 1 1223 1 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 0 1.704703 3.6119375 -3.64393 1 1224 1 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 0 2.4568632 2.2550724 -0.72221327 1 1225 1 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 0 2.2148483 3.2505183 0.42162898 1 1226 1 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 0 2.888036 2.6967478 1.6686859 1 1227 1 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 0 0.7709745 3.5743523 0.64707386 1 1228 1 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 0 2.921586 1.7072 -3.7661939 1 1229 1 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 0 3.5417466 2.0802374 -5.040118 1 1230 1 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 0 2.5136242 2.3110216 -6.1377096 1 1231 1 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 0 2.7006452 3.173847 -6.9969683 1 1232 1 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 0 4.5322075 1.0099238 -5.4941654 1 1233 1 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 0 5.955699 1.2533028 -5.053667 1 1234 1 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 0 6.953088 0.3605312 -5.795578 1 1235 1 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 0 6.647689 -1.0559504 -5.791446 1 1236 1 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 0 6.9154177 -1.8996781 -4.790612 1 1237 1 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 0 7.4891663 -1.4643238 -3.6805258 1 1238 1 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 0 6.609625 -3.1863387 -4.898986 1 1239 1 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 0 1.4147607 1.5553892 -6.10173 1 1240 1 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 0 0.37113336 1.7117193 -7.106189 1 1241 1 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 0 -0.29764903 3.084673 -7.0325985 1 1242 1 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 0 -0.85071445 3.5618036 -8.021473 1 1243 1 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 0 -0.6853222 0.6022261 -6.9754744 1 1244 1 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 0 -0.17361623 -0.75130165 -7.449904 1 1245 1 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 0 -0.7279012 -1.8010638 -7.104219 1 1246 1 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 0 0.8889493 -0.74170136 -8.240538 1 1247 1 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 0 -0.24455938 3.7223892 -5.8616023 1 1248 1 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 0 -0.8005173 5.0605097 -5.7102475 1 1249 1 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 0 -0.0011756876 6.0949016 -6.51173 1 1250 1 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 0 -0.49864644 7.184719 -6.790353 1 1251 1 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 0 -0.8413661 5.477895 -4.2413445 1 1252 1 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 0 -1.9380863 4.8364267 -3.4324267 1 1253 1 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 0 -1.6813881 4.333599 -2.1597362 1 1254 1 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 0 -3.2503889 4.781333 -3.9007635 1 1255 1 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 0 -2.6882458 3.7780821 -1.3864421 1 1256 1 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 0 -4.264746 4.2235475 -3.1378875 1 1257 1 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 0 -3.975494 3.7287316 -1.8812822 1 1258 1 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 0 -4.964531 3.187548 -1.1124547 1 1259 1 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 0 1.2229912 5.728594 -6.8800535 1 1260 1 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 0 2.0345664 6.6130342 -7.7037354 1 1261 1 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 0 1.4426022 6.750063 -9.093302 1 1262 1 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 0 1.5655309 7.7980857 -9.735402 1 1263 1 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 0 0.7817945 5.68826 -9.548206 1 1264 1 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 0 0.13993642 5.6903973 -10.860891 1 1265 1 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 0 -1.1859463 6.453664 -10.834953 1 1266 1 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 0 -1.6000501 7.01664 -11.849628 1 1267 1 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 0 -0.10398033 4.262738 -11.338593 1 1268 1 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 0 1.1706398 3.4497805 -11.538221 1 1269 1 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 0 1.7410996 3.6647294 -12.929026 1 1270 1 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 0 0.78616726 3.1763365 -14.017387 1 1271 1 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 0 1.439748 3.0581186 -15.330235 1 1272 1 +ATOM N N . THR C0 3 74 . 74 THR C0 N 0 -1.8603165 6.435073 -9.676501 1 1273 1 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 0 -3.169298 7.0695553 -9.541528 1 1274 1 +ATOM C C . THR C0 3 74 . 74 THR C0 C 0 -3.1303616 8.394719 -8.778442 1 1275 1 +ATOM O O . THR C0 3 74 . 74 THR C0 O 0 -4.1493406 9.079994 -8.672564 1 1276 1 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 0 -4.1790075 6.115019 -8.867596 1 1277 1 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 0 -3.6373005 5.6553617 -7.622921 1 1278 1 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 0 -4.4490957 4.9032145 -9.761061 1 1279 1 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 0 -1.963509 8.75399 -8.252621 1 1280 1 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 0 -1.7423916 10.07032 -7.6921034 1 1281 1 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 0 -2.0839243 10.355595 -6.239603 1 1282 1 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 0 -1.9458722 11.496239 -5.7948136 1 1283 1 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 0 -2.529193 9.358384 -5.459298 1 1284 1 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 0 -2.8848732 9.602123 -4.060441 1 1285 1 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 0 -1.6492823 9.73763 -3.1740537 1 1286 1 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 0 -1.6326327 10.553202 -2.2382574 1 1287 1 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 0 -3.7968302 8.495146 -3.5193944 1 1288 1 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 0 -5.1751604 8.437235 -4.192608 1 1289 1 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 0 -5.20645 7.4375305 -5.337219 1 1290 1 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 0 -4.1430693 7.1517487 -5.937703 1 1291 1 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 0 -6.291198 6.925574 -5.6489115 1 1292 1 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 0 -0.64077795 8.936731 -3.4252534 1 1293 1 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 0 0.6142269 8.943069 -2.678501 1 1294 1 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 0 1.7623367 8.728793 -3.6544185 1 1295 1 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 0 1.6295186 7.9576674 -4.604271 1 1296 1 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 0 0.65536356 7.8168488 -1.6166584 1 1297 1 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 0 1.9990232 7.799412 -0.8914819 1 1298 1 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 0 -0.4784107 7.9774723 -0.6083145 1 1299 1 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 0 2.8669338 9.40958 -3.4382563 1 1300 1 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 0 4.048957 9.232221 -4.2744837 1 1301 1 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 0 5.250621 8.887533 -3.4148169 1 1302 1 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 0 5.326917 9.295329 -2.2545671 1 1303 1 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 0 4.31939 10.486109 -5.093668 1 1304 1 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 0 3.2404807 10.757671 -6.1220193 1 1305 1 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 0 3.601417 11.92702 -7.011639 1 1306 1 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 0 2.5055683 12.160006 -8.039629 1 1307 1 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 0 2.8376565 13.320609 -8.924655 1 1308 1 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 0 6.171789 8.144599 -3.983562 1 1309 1 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 0 7.4016724 7.785982 -3.2970836 1 1310 1 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 0 8.33799 8.98423 -3.3367434 1 1311 1 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 0 8.432732 9.646096 -4.3664002 1 1312 1 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 0 8.061438 6.5936894 -3.9927354 1 1313 1 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 0 9.306415 6.050345 -3.30495 1 1314 1 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 0 8.999109 5.5185804 -1.90966 1 1315 1 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 0 10.225941 4.8552527 -1.2705986 1 1316 1 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 0 10.334604 5.2039976 0.16235428 1 1317 1 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 0 9.006248 9.316179 -2.2080636 1 1318 1 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 0 10.047752 10.335129 -2.2737274 1 1319 1 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 0 11.387936 9.620382 -2.1789868 1 1320 1 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 0 11.48661 8.54503 -1.5999377 1 1321 1 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 0 9.870026 11.50347 -1.2437799 1 1322 1 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 0 8.541967 11.433796 -0.54951215 1 1323 1 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 0 11.034586 11.562498 -0.25200605 1 1324 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 12.397821 10.198403 -2.8038564 1 1325 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 13.695489 9.545099 -2.911756 1 1326 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 14.469385 9.582188 -1.606112 1 1327 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 15.541298 10.162399 -1.5014955 1 1328 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 14.508476 10.15584 -4.080372 1 1329 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 13.884169 9.83733 -5.4148817 1 1330 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 13.842144 11.059995 -6.3774014 1 1331 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 13.310588 12.31768 -5.6879244 1 1332 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 11.864243 12.251034 -5.2817826 1 1333 1 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 0 13.8625 8.969141 -0.58211416 1 1334 1 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 0 14.465323 8.85664 0.73360217 1 1335 1 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 0 13.944717 7.5520096 1.3263814 1 1336 1 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 0 12.779364 7.194344 1.1276449 1 1337 1 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 0 14.081714 10.053634 1.6062179 1 1338 1 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 0 15.076981 10.354233 2.7031288 1 1339 1 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 0 15.091724 11.87261 3.0231538 1 1340 1 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 0 14.030095 12.264019 4.0309925 1 1341 1 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 0 14.230153 11.558085 5.3334618 1 1342 1 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 0 14.802187 6.8309393 2.044901 1 1343 1 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 0 14.466322 5.5327325 2.5896323 1 1344 1 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 0 13.183162 5.542327 3.4154446 1 1345 1 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 0 13.076042 6.3149285 4.3809323 1 1346 1 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 0 15.630259 5.0116463 3.4387858 1 1347 1 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 0 15.527697 3.554296 3.8582294 1 1348 1 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 0 16.783756 3.1471338 4.6322374 1 1349 1 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 0 16.68171 1.7174158 5.1618037 1 1350 1 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 0 17.865463 1.3568492 5.964995 1 1351 1 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 0 12.206282 4.741281 3.0113187 1 1352 1 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 0 10.938005 4.5736647 3.7188265 1 1353 1 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 0 10.065234 5.8273225 3.783341 1 1354 1 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 0 9.144028 5.8806205 4.59513 1 1355 1 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 0 11.188726 4.0393877 5.1418877 1 1356 1 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 0 11.812338 2.633544 5.212246 1 1357 1 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 0 12.418098 2.393397 6.5900474 1 1358 1 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 0 10.751905 1.5747154 4.9062486 1 1359 1 +ATOM N N . THR C0 3 85 . 85 THR C0 N 0 10.308376 6.8028564 2.9244928 1 1360 1 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 0 9.494009 8.000675 2.990407 1 1361 1 +ATOM C C . THR C0 3 85 . 85 THR C0 C 0 8.606043 8.200056 1.7493654 1 1362 1 +ATOM O O . THR C0 3 85 . 85 THR C0 O 0 9.0163965 7.953376 0.61230123 1 1363 1 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 0 10.2781315 9.276049 3.420943 1 1364 1 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 0 10.22244 10.279188 2.4117231 1 1365 1 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 0 11.688121 8.959349 3.8159723 1 1366 1 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 0 7.3596845 8.598581 2.0138745 1 1367 1 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 0 6.330168 8.784073 1.0115414 1 1368 1 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 0 5.6901402 10.151464 1.1727451 1 1369 1 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 0 5.981197 10.874418 2.1209807 1 1370 1 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 0 5.259621 7.689498 1.1391869 1 1371 1 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 0 5.724386 6.3164334 0.70590043 1 1372 1 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 0 6.513601 5.5317774 1.5393279 1 1373 1 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 0 5.3765006 5.803132 -0.5362139 1 1374 1 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 0 6.954132 4.2689347 1.1453722 1 1375 1 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 0 5.803398 4.5444007 -0.94332266 1 1376 1 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 0 6.589059 3.7853398 -0.09875267 1 1377 1 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 0 7.022249 2.5405653 -0.49528548 1 1378 1 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 0 4.808911 10.508435 0.24672148 1 1379 1 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 0 4.1846275 11.823849 0.28189296 1 1380 1 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 0 2.7388012 11.8005085 -0.21059042 1 1381 1 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 0 2.4594693 11.337328 -1.3093643 1 1382 1 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 0 5.000439 12.8059225 -0.54347974 1 1383 1 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 0 4.49036 14.231871 -0.49186957 1 1384 1 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 0 5.3608665 15.17785 -1.3023379 1 1385 1 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 0 6.2013993 14.747096 -2.099262 1 1386 1 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 0 5.1766186 16.475315 -1.100487 1 1387 1 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 0 1.818756 12.312783 0.6176932 1 1388 1 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 0 0.41161808 12.421811 0.2518643 1 1389 1 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 0 0.23688275 13.550209 -0.7637361 1 1390 1 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 0 0.9472295 14.556299 -0.7037156 1 1391 1 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 0 -0.4518138 12.748123 1.4692633 1 1392 1 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 0 -0.6510879 11.608116 2.4201896 1 1393 1 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 0 -0.1346372 11.672228 3.7052743 1 1394 1 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 0 -1.3742409 10.487817 2.0393608 1 1395 1 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 0 -0.32462204 10.624716 4.6056986 1 1396 1 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 0 -1.5692804 9.437366 2.9299316 1 1397 1 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 0 -1.0462576 9.505108 4.208997 1 1398 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 -0.7083873 13.373472 -1.6769552 1 1399 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 -1.0289301 14.431921 -2.6297512 1 1400 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 -1.8548868 15.498648 -1.9197209 1 1401 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 -2.4056869 15.254676 -0.8426106 1 1402 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 -1.8342535 13.876963 -3.803742 1 1403 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 -3.1395264 13.507465 -3.3799927 1 1404 1 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 0 -1.9090809 16.685526 -2.5176573 1 1405 1 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 0 -2.718427 17.74453 -1.9514432 1 1406 1 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 0 -4.1805377 17.350666 -1.888109 1 1407 1 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 0 -4.9013443 17.742607 -0.97701395 1 1408 1 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 0 -4.6262465 16.566792 -2.848549 1 1409 1 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 0 -6.0056496 16.087809 -2.8930268 1 1410 1 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 0 -6.3372316 15.268143 -1.6469002 1 1411 1 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 0 -7.3811607 15.473684 -1.020776 1 1412 1 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 0 -6.228436 15.236484 -4.144292 1 1413 1 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 0 -7.5816283 14.532743 -4.2150526 1 1414 1 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 0 -7.7063446 13.621315 -5.413419 1 1415 1 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 0 -8.295883 14.041571 -6.4360714 1 1416 1 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 0 -7.1971684 12.488455 -5.357033 1 1417 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 -5.458583 14.33778 -1.3141971 1 1418 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 -5.646154 13.478678 -0.14693694 1 1419 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 -5.634157 14.302136 1.1443189 1 1420 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 -6.3260856 13.983829 2.103531 1 1421 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 -4.561821 12.381076 -0.08934612 1 1422 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 -4.523816 11.701836 1.2757869 1 1423 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 -4.818943 11.35251 -1.1859165 1 1424 1 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 0 -4.8575373 15.379032 1.1570084 1 1425 1 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 0 -4.7350435 16.25156 2.3242054 1 1426 1 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 0 -5.8867536 17.246714 2.4616203 1 1427 1 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 0 -5.942712 18.003624 3.427617 1 1428 1 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 0 -3.4062614 17.022133 2.269157 1 1429 1 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 0 -2.1321068 16.202015 2.4505804 1 1430 1 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 0 -0.907251 17.050453 2.126862 1 1431 1 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 0 -2.0403142 15.658997 3.8709967 1 1432 1 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 0 -6.7819805 17.233608 1.5169013 1 1433 1 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 0 -7.9138474 18.152481 1.5496436 1 1434 1 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 0 -7.5540223 19.577524 1.1773263 1 1435 1 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 0 -8.131384 20.52131 1.7212212 1 1436 1 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 0 -6.59378 19.704828 0.28010017 1 1437 1 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 0 -6.1333265 21.02553 -0.16061208 1 1438 1 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 0 -6.4347024 21.262861 -1.6413944 1 1439 1 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 0 -5.6757355 21.947855 -2.3403997 1 1440 1 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 0 -4.642275 21.182987 0.09134078 1 1441 1 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 0 -4.3439703 21.665483 1.4963238 1 1442 1 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 0 -2.8628092 21.94741 1.7280314 1 1443 1 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 0 -2.0003562 20.797337 1.5441062 1 1444 1 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 0 -0.9025856 20.814617 0.75993216 1 1445 1 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 0 -0.16557515 19.723461 0.6588621 1 1446 1 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 0 -0.58298385 21.906921 0.095033154 1 1447 1 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 0 -7.5287333 20.71126 -2.1109066 1 1448 1 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 0 -7.9387593 20.909655 -3.4892583 1 1449 1 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 0 -8.325222 22.36248 -3.718774 1 1450 1 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 0 -8.906452 23.00531 -2.8512392 1 1451 1 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 0 -7.98141 22.838661 -4.8834953 1 1452 1 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 0 -8.341717 24.211258 -5.220106 1 1453 1 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 0 -7.2432632 25.232342 -4.981818 1 1454 1 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 0 -7.3142805 26.366192 -5.471944 1 1455 1 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 0 -6.216655 24.835876 -4.2153835 1 1456 1 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 0 -5.1126885 25.746527 -3.9206402 1 1457 1 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 0 -4.39243 26.142159 -5.1985383 1 1458 1 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 0 -4.0469494 27.314636 -5.3911104 1 1459 1 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 0 -4.129113 25.09047 -2.9454522 1 1460 1 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 0 -3.031558 26.006916 -2.3838148 1 1461 1 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 0 -2.0378265 25.201399 -1.5472124 1 1462 1 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 0 -3.6489592 27.12878 -1.5366089 1 1463 1 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 0 -4.1623964 25.173239 -6.0737247 1 1464 1 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 0 -3.5010839 25.418537 -7.350876 1 1465 1 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 0 -4.319988 26.360645 -8.233725 1 1466 1 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 0 -3.76439 27.15749 -8.992666 1 1467 1 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 0 -3.2484784 24.101265 -8.084135 1 1468 1 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 0 -5.6495023 26.257908 -8.090641 1 1469 1 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 0 -6.5483046 27.098898 -8.86985 1 1470 1 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 0 -6.4520044 28.578835 -8.460777 1 1471 1 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 0 -6.6729107 29.475014 -9.285481 1 1472 1 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 0 -7.995641 26.62473 -8.711197 1 1473 1 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 0 -8.229748 25.194193 -9.162621 1 1474 1 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 0 -9.608244 24.701002 -8.764896 1 1475 1 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 0 -9.731962 23.539877 -8.353695 1 1476 1 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 0 -10.572133 25.489063 -8.845144 1 1477 1 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 0 -6.143574 28.797878 -7.1625423 1 1478 1 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 0 -6.0606894 30.158903 -6.636669 1 1479 1 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 0 -4.7375617 30.841938 -6.963949 1 1480 1 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 0 -4.593031 32.04505 -6.7277503 1 1481 1 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 0 -6.2731495 30.153545 -5.11775 1 1482 1 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 0 -7.679991 29.736378 -4.702939 1 1483 1 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 0 -7.934684 30.041077 -3.2257438 1 1484 1 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 0 -7.1634583 29.170925 -2.3316045 1 1485 1 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 0 -7.5403166 27.945923 -1.9597926 1 1486 1 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 0 -8.678909 27.423157 -2.4233334 1 1487 1 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 0 -6.7841015 27.229794 -1.122225 1 1488 1 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 0 -3.764963 30.084044 -7.5280743 1 1489 1 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 0 -2.4426284 30.62555 -7.8117514 1 1490 1 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 0 -2.321055 31.343784 -9.148094 1 1491 1 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 0 -2.9619122 30.967924 -10.129942 1 1492 1 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 0 -1.3773403 29.515087 -7.7406454 1 1493 1 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 0 -1.0573325 29.092903 -6.3350115 1 1494 1 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 0 -0.120618805 27.894955 -6.316451 1 1495 1 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 0 -0.062047176 27.332428 -4.967327 1 1496 1 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 0 0.0052502323 26.044075 -4.7089057 1 1497 1 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 0 0.045015536 25.60625 -3.465527 1 1498 1 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 0 0.030855298 25.164223 -5.7026577 1 1499 1 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 0 -1.4681301 32.38375 -9.192398 1 1500 1 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 0 -1.1495014 33.140076 -10.400782 1 1501 1 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 0 0.35942197 33.138603 -10.527092 1 1502 1 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 0 1.0652966 33.278603 -9.504614 1 1503 1 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 0 -1.6855333 34.579575 -10.311026 1 1504 1 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 0 -3.1921892 34.657288 -10.275888 1 1505 1 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 0 -4.005604 33.981735 -11.17317 1 1506 1 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 0 -3.9787102 35.340015 -9.422678 1 1507 1 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 0 -5.2603836 34.20682 -10.932951 1 1508 1 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 0 -5.2971992 35.091393 -9.787325 1 1509 1 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 0 0.83369696 32.953182 -11.728849 1 1510 1 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 0 0.11734886 32.840744 -13.012222 1 1511 1 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 0 -0.5085435 31.46967 -13.238199 1 1512 1 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 0 -0.818215 30.788239 -12.264243 1 1513 1 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 0 1.2015107 33.110996 -14.06336 1 1514 1 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 0 2.4071429 33.561466 -13.288569 1 1515 1 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 0 2.2592378 33.009636 -11.908304 1 1516 1 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 0 -0.7263657 31.028828 -14.515252 1 1517 1 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 0 -1.4366665 29.802513 -14.914545 1 1518 1 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 0 -0.8367814 28.480713 -14.415815 1 1519 1 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 0 0.23548152 28.468035 -13.822208 1 1520 1 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 0 -1.3957242 29.853168 -16.44761 1 1521 1 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 0 -0.27129132 30.748732 -16.797 1 1522 1 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 0 -0.28305572 31.795483 -15.717702 1 1523 1 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 0 -1.5758343 27.36324 -14.671124 1 1524 1 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 0 -1.1775827 26.01513 -14.302326 1 1525 1 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 0 0.26573265 25.752657 -14.687243 1 1526 1 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 0 0.65678656 25.986385 -15.828083 1 1527 1 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 0 -2.0606918 24.969719 -14.973037 1 1528 1 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 0 -3.4704156 24.913397 -14.437187 1 1529 1 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 0 -4.0351315 25.940815 -13.723927 1 1530 1 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 0 -4.418423 23.948727 -14.5503645 1 1531 1 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 0 -5.2815347 25.641153 -13.393232 1 1532 1 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 0 -5.539777 24.410944 -13.886372 1 1533 1 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 0 0.9802468 25.198206 -13.826993 1 1534 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_2.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_2.cif new file mode 100644 index 0000000000000000000000000000000000000000..e92e42c437363aed4ca4b3bf3f44f3abeaebb799 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_2.cif @@ -0,0 +1,1861 @@ +data_8e3r-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 94.92 -25.269085 13.243528 -14.360256 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 96.88 -24.912695 13.122034 -15.708777 1 2 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 96.09 -23.666912 12.885642 -16.363422 1 3 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 96.09 -25.437195 14.637484 -16.14795 1 4 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 94.92 -26.087063 12.069019 -16.397938 1 5 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 96.09 -25.318918 11.306567 -17.141365 1 6 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 98.44 -25.405636 9.813446 -16.843021 1 7 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 98.44 -24.230803 9.245235 -17.496874 1 8 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 98.44 -25.323156 9.326496 -15.381449 1 9 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 98.44 -25.995073 8.06539 -15.241815 1 10 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 98.05 -23.82656 9.168063 -15.178913 1 11 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 98.05 -23.345406 8.696823 -16.530806 1 12 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 98.44 -21.986155 9.136619 -16.858461 1 13 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 98.83 -21.487535 10.403098 -16.835365 1 14 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 98.05 -20.234068 10.497781 -17.208807 1 15 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 98.44 -19.876648 9.200645 -17.515533 1 16 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 98.44 -18.684467 8.631086 -17.974731 1 17 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 98.44 -17.574642 9.339191 -18.21716 1 18 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 98.44 -18.682667 7.2925076 -18.17897 1 19 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 98.44 -19.805382 6.5824904 -17.935709 1 20 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 98.44 -20.992619 7.015316 -17.49493 1 21 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 98.44 -20.95581 8.345409 -17.303926 1 22 +ATOM P P . DA A0 1 2 . 2 DA A0 P 96.88 -26.355549 7.3594093 -13.87829 1 23 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 92.97 -26.105398 8.329275 -12.791838 1 24 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 88.67 -27.685114 6.711351 -14.01814 1 25 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 96.09 -25.245043 6.219392 -13.786245 1 26 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 96.88 -25.214355 5.1811824 -14.750215 1 27 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 98.05 -24.070011 4.2392473 -14.480368 1 28 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 98.05 -22.824886 4.8372645 -14.93112 1 29 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 98.05 -23.875237 3.8732738 -13.015931 1 30 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 98.05 -23.691029 2.4602156 -12.923704 1 31 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 97.66 -22.631035 4.6601872 -12.603745 1 32 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 98.44 -21.854357 4.7475104 -13.912541 1 33 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 98.44 -20.984535 5.91615 -14.061125 1 34 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 98.44 -21.282011 7.2222905 -13.771179 1 35 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 98.05 -20.309792 8.061773 -14.027355 1 36 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 98.44 -19.297447 7.253854 -14.532384 1 37 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 98.44 -18.002653 7.541679 -14.998856 1 38 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 97.66 -17.492958 8.781794 -15.034077 1 39 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 98.05 -17.248276 6.514125 -15.432844 1 40 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 97.66 -17.77302 5.2831726 -15.397916 1 41 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 98.05 -18.979664 4.8863506 -14.983327 1 42 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 98.44 -19.698404 5.9292336 -14.559896 1 43 +ATOM P P . DT A0 1 3 . 3 DT A0 P 97.66 -23.541378 1.7317709 -11.475989 1 44 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 96.88 -23.80256 2.7144446 -10.398624 1 45 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 96.48 -24.320755 0.4621336 -11.546273 1 46 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 97.27 -21.993011 1.3725169 -11.452141 1 47 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 97.66 -21.348469 1.0329385 -12.663034 1 48 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 98.44 -19.864737 0.8605085 -12.431084 1 49 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 98.44 -19.165186 2.1071362 -12.704597 1 50 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 98.83 -19.471004 0.46180883 -11.016245 1 51 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 98.44 -18.452084 -0.52173615 -11.114333 1 52 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 98.44 -18.94631 1.7581319 -10.404087 1 53 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 98.83 -18.31335 2.404831 -11.619802 1 54 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 98.83 -18.139536 3.8784032 -11.589596 1 55 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 98.83 -16.988474 4.391119 -12.147176 1 56 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 98.44 -16.117342 3.6976464 -12.649617 1 57 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 98.44 -16.883034 5.756246 -12.105726 1 58 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 98.83 -17.796036 6.641152 -11.570063 1 59 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 98.83 -17.589943 7.8527927 -11.599189 1 60 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 98.44 -18.984333 6.0329027 -10.997513 1 61 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 98.83 -20.03412 6.915086 -10.386852 1 62 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 98.83 -19.096273 4.7009945 -11.040028 1 63 +ATOM P P . DA A0 1 4 . 4 DA A0 P 98.44 -17.898403 -1.2914073 -9.857307 1 64 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 98.05 -18.272984 -0.55951786 -8.622358 1 65 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 97.66 -18.271162 -2.7191942 -10.023742 1 66 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 97.27 -16.3224 -1.1693394 -10.038649 1 67 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 98.05 -15.776938 -0.7642918 -11.281206 1 68 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 98.83 -14.356357 -0.29712647 -11.086651 1 69 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 98.83 -14.29797 1.1611537 -11.047215 1 70 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 98.83 -13.710347 -0.76892656 -9.800777 1 71 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 98.44 -12.341569 -1.0048717 -10.082338 1 72 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 98.44 -13.910334 0.4174534 -8.85055 1 73 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 98.83 -13.761215 1.5887078 -9.8107605 1 74 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 98.83 -14.457022 2.8243442 -9.456337 1 75 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 98.83 -15.689945 2.9649723 -8.880198 1 76 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 98.44 -16.06245 4.2114205 -8.7209 1 77 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 98.83 -15.004496 4.9458046 -9.236638 1 78 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 98.83 -14.781605 6.329376 -9.365734 1 79 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 98.44 -15.655646 7.259861 -8.973555 1 80 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 98.83 -13.613479 6.726703 -9.921591 1 81 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 98.44 -12.742652 5.790241 -10.315805 1 82 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 98.83 -12.839684 4.4573975 -10.248259 1 83 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 98.83 -14.008216 4.099429 -9.692875 1 84 +ATOM P P . DA A0 1 5 . 5 DA A0 P 98.44 -11.375795 -1.5740651 -8.983598 1 85 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 98.05 -12.00333 -1.5790229 -7.639492 1 86 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 97.66 -10.808649 -2.8222477 -9.5555935 1 87 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 97.27 -10.235862 -0.46756387 -8.979511 1 88 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 98.05 -9.922117 0.20986569 -10.179783 1 89 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 98.83 -9.045696 1.4061415 -9.897518 1 90 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 98.44 -9.8592205 2.5428689 -9.516043 1 91 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 98.83 -8.028475 1.2107596 -8.779368 1 92 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 98.83 -6.814822 1.7927188 -9.218048 1 93 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 98.83 -8.655557 1.9438989 -7.590404 1 94 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 98.83 -9.419683 3.0632424 -8.28146 1 95 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 98.83 -10.614172 3.5733306 -7.609963 1 96 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 98.83 -11.615204 2.8573704 -7.0140753 1 97 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 98.83 -12.585077 3.5993862 -6.533 1 98 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 98.83 -12.196108 4.8966885 -6.839342 1 99 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 98.83 -12.794816 6.145074 -6.6041107 1 100 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 98.83 -13.964512 6.299116 -5.9789934 1 101 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 98.83 -12.135479 7.2460747 -7.036426 1 102 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 98.83 -10.964418 7.089779 -7.663744 1 103 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 98.83 -10.299704 5.965935 -7.9490757 1 104 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 98.83 -10.981623 4.8943815 -7.5031767 1 105 +ATOM P P . DA A0 1 6 . 6 DA A0 P 98.44 -5.4947333 1.7750561 -8.345659 1 106 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 98.44 -5.6375623 0.82658637 -7.213276 1 107 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 98.05 -4.3613157 1.6449009 -9.296661 1 108 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 97.66 -5.4819946 3.2483807 -7.7594395 1 109 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 98.05 -5.6018276 4.3426046 -8.646048 1 110 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 98.44 -5.670509 5.6433535 -7.8926754 1 111 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 98.83 -7.001563 5.823654 -7.355163 1 112 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 98.83 -4.7081656 5.757742 -6.7104774 1 113 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 98.83 -3.988383 6.9746075 -6.8391104 1 114 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 98.83 -5.6264668 5.754863 -5.4853425 1 115 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 98.83 -6.912846 6.328966 -6.0489798 1 116 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 98.83 -8.151501 5.960652 -5.3617554 1 117 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 98.83 -8.587688 4.700774 -5.038649 1 118 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 98.83 -9.75182 4.677553 -4.4320984 1 119 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 98.83 -10.113535 6.0176406 -4.3552923 1 120 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 98.83 -11.242971 6.6603537 -3.8252342 1 121 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 98.83 -12.25499 6.019041 -3.2477856 1 122 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 98.83 -11.290777 8.004436 -3.9052515 1 123 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 98.83 -10.273016 8.65012 -4.4835305 1 124 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 98.83 -9.154858 8.152954 -5.0242395 1 125 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 98.83 -9.135649 6.8156657 -4.923382 1 126 +ATOM P P . DA A0 1 7 . 7 DA A0 P 98.44 -2.807714 7.3343315 -5.818987 1 127 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 98.05 -2.4880219 6.18051 -4.9475474 1 128 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 98.05 -1.7489517 7.97955 -6.6382165 1 129 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 97.66 -3.480587 8.454887 -4.9121237 1 130 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 98.05 -4.0983353 9.560175 -5.533871 1 131 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 98.83 -4.886388 10.364006 -4.5360136 1 132 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 98.44 -6.0733576 9.642593 -4.1377325 1 133 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 98.83 -4.135799 10.700933 -3.2411084 1 134 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 98.83 -4.15551 12.109382 -3.0655856 1 135 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 98.83 -4.927575 9.984559 -2.150604 1 136 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 98.83 -6.305342 9.862767 -2.7716756 1 137 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 98.83 -7.1310644 8.760296 -2.2826443 1 138 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 98.83 -6.8453016 7.419078 -2.3148823 1 139 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 98.83 -7.788388 6.663249 -1.8082618 1 140 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 98.83 -8.7729 7.5666494 -1.421471 1 141 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 98.83 -10.02882 7.394563 -0.81921136 1 142 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 98.83 -10.535077 6.2101774 -0.48848504 1 143 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 98.83 -10.753569 8.50437 -0.56084704 1 144 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 98.83 -10.246911 9.698377 -0.8894198 1 145 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 98.83 -9.074442 9.985891 -1.4675164 1 146 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 98.83 -8.374834 8.861369 -1.7057672 1 147 +ATOM P P . DG A0 1 8 . 8 DG A0 P 98.44 -3.1636667 12.821802 -2.058763 1 148 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 98.44 -2.1501713 11.862709 -1.582686 1 149 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 98.44 -2.7410755 14.098728 -2.710178 1 150 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 98.05 -4.1264234 13.1734085 -0.84167707 1 151 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 98.44 -5.4490943 13.507811 -1.143469 1 152 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 98.83 -6.304205 13.714496 0.0798013 1 153 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 98.83 -7.1239166 12.534288 0.28366035 1 154 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 98.83 -5.567545 13.952018 1.4030502 1 155 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 98.44 -6.23038 14.993967 2.0988126 1 156 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 98.44 -5.7171555 12.620145 2.1346738 1 157 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 98.83 -7.061544 12.1543865 1.6289163 1 158 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 98.83 -7.263479 10.713505 1.6740367 1 159 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 98.83 -6.4005423 9.721199 1.2644279 1 160 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 98.83 -6.876922 8.527912 1.4411016 1 161 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 98.83 -8.136078 8.733852 1.9919895 1 162 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 98.83 -9.122791 7.8102894 2.4000216 1 163 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 98.83 -9.074087 6.570113 2.3424864 1 164 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 98.83 -10.25434 8.445124 2.9110293 1 165 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 98.83 -10.407323 9.804255 3.015794 1 166 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 98.83 -11.572868 10.231581 3.533451 1 167 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 98.83 -9.495095 10.685857 2.6357641 1 168 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 98.83 -8.388292 10.080526 2.1426406 1 169 +ATOM P P . DG A0 1 9 . 9 DG A0 P 98.44 -5.5270247 15.771807 3.2767987 1 170 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 98.44 -4.285985 15.10396 3.7252536 1 171 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 98.44 -5.5063577 17.196836 2.8554482 1 172 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 98.05 -6.610804 15.616985 4.422861 1 173 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 98.44 -7.9540834 15.899475 4.115257 1 174 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 98.44 -8.848785 15.4857025 5.265088 1 175 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 98.83 -9.107388 14.067703 5.2138233 1 176 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 98.83 -8.262451 15.745251 6.6480365 1 177 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 98.44 -9.330835 16.124416 7.496975 1 178 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 98.44 -7.67637 14.383451 7.0377617 1 179 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 98.83 -8.690451 13.45114 6.412258 1 180 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 98.44 -8.230551 12.109275 6.0584307 1 181 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 98.44 -7.088149 11.753987 5.3941956 1 182 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 98.83 -6.984442 10.470655 5.194436 1 183 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 98.83 -8.138153 9.940435 5.754193 1 184 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 98.83 -8.585871 8.594566 5.844868 1 185 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 98.83 -8.042824 7.571029 5.422471 1 186 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 98.83 -9.812538 8.502649 6.504042 1 187 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 98.83 -10.51993 9.575292 7.0120625 1 188 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 98.83 -11.67942 9.289164 7.614699 1 189 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 98.83 -10.103149 10.834946 6.9260435 1 190 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 98.83 -8.911711 10.94235 6.292887 1 191 +ATOM P P . DA A0 1 10 . 10 DA A0 P 98.44 -9.08452 16.870214 8.882778 1 192 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 98.44 -7.6688643 17.29037 8.998688 1 193 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 98.05 -10.185318 17.873154 8.974185 1 194 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 98.05 -9.364899 15.744843 9.959824 1 195 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 98.05 -10.622945 15.111153 9.933591 1 196 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 98.83 -10.591242 13.861908 10.774167 1 197 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 98.44 -9.9981785 12.770709 10.025915 1 198 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 98.83 -9.77714 13.978384 12.076618 1 199 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 98.83 -10.567972 13.486414 13.138882 1 200 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 98.83 -8.568332 13.0767145 11.816111 1 201 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 98.83 -9.197044 12.036226 10.909611 1 202 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 98.83 -8.284082 11.202691 10.137807 1 203 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 98.83 -7.1323414 11.555559 9.478604 1 204 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 98.83 -6.521221 10.553991 8.887796 1 205 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 98.83 -7.3361006 9.461873 9.173447 1 206 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 98.83 -7.24849 8.098201 8.838915 1 207 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 98.83 -6.255563 7.5724688 8.108268 1 208 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 98.83 -8.217901 7.273475 9.274078 1 209 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 98.83 -9.213649 7.798663 10.009369 1 210 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 98.83 -9.403229 9.0666275 10.392994 1 211 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 98.83 -8.416612 9.858147 9.936964 1 212 +ATOM P P . DA A0 1 11 . 11 DA A0 P 98.44 -10.378853 13.959692 14.629343 1 213 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 98.44 -8.9867115 14.436648 14.815693 1 214 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 98.05 -11.535351 14.850592 14.942432 1 215 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 97.66 -10.571096 12.61056 15.443011 1 216 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 98.05 -11.574395 11.708241 15.013254 1 217 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 98.44 -11.110098 10.286697 15.208111 1 218 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 98.83 -10.169561 9.9087925 14.179253 1 219 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 98.83 -10.4119835 10.019369 16.54787 1 220 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 98.83 -11.041244 8.907137 17.156517 1 221 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 98.83 -8.968294 9.721596 16.14695 1 222 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 98.83 -9.169561 9.12077 14.766537 1 223 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 98.83 -8.003216 9.0998535 13.899094 1 224 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 98.83 -7.1593494 10.126529 13.578281 1 225 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 98.83 -6.1773996 9.775227 12.779365 1 226 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 98.83 -6.4020586 8.420038 12.558458 1 227 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 98.83 -5.711992 7.45837 11.798416 1 228 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 98.83 -4.611065 7.7201877 11.089973 1 229 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 98.83 -6.195045 6.1991997 11.790492 1 230 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 98.83 -7.2972655 5.9343195 12.504305 1 231 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 98.83 -8.029047 6.7573476 13.254697 1 232 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 98.83 -7.5227284 7.9999638 13.2393055 1 233 +ATOM P P . DG A0 1 12 . 12 DG A0 P 98.44 -10.5969715 8.337872 18.563 1 234 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 98.44 -9.448341 9.137888 19.05739 1 235 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 98.05 -11.820566 8.191111 19.38797 1 236 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 97.66 -10.072277 6.887748 18.19454 1 237 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 98.05 -10.796587 6.0786285 17.280869 1 238 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 98.83 -10.103674 4.742523 17.113907 1 239 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 98.83 -9.019804 4.8600144 16.151466 1 240 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 98.83 -9.482538 4.216124 18.398739 1 241 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 98.83 -9.735553 2.8223596 18.493805 1 242 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 98.83 -7.9985237 4.525205 18.236023 1 243 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 98.83 -7.809251 4.4191475 16.736687 1 244 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 98.83 -6.729357 5.235435 16.183472 1 245 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 98.83 -6.5502167 6.587887 16.319008 1 246 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 98.83 -5.5002604 7.0364137 15.694666 1 247 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 98.83 -4.952412 5.908032 15.096077 1 248 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 98.83 -3.802361 5.7664666 14.284187 1 249 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 98.83 -3.0119953 6.6416407 13.907261 1 250 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 98.83 -3.6001987 4.4441595 13.895546 1 251 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 98.83 -4.4129143 3.3916907 14.2422495 1 252 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 98.83 -4.057521 2.1862464 13.770387 1 253 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 98.83 -5.495494 3.5123153 15.000148 1 254 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 98.83 -5.70242 4.792468 15.387093 1 255 +ATOM P P . DT A0 1 13 . 13 DT A0 P 98.05 -9.257893 2.0389867 19.793507 1 256 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 98.05 -8.784769 3.0098443 20.814604 1 257 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 98.05 -10.310978 1.0548478 20.133018 1 258 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 97.27 -7.980666 1.261749 19.260998 1 259 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 97.27 -8.005917 0.6900965 17.969597 1 260 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 98.83 -6.786909 -0.19319439 17.778542 1 261 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 98.83 -5.7126007 0.57983065 17.189434 1 262 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 98.44 -6.23805 -0.772699 19.07574 1 263 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 98.44 -5.943118 -2.1346965 18.8494 1 264 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 98.05 -4.9968157 0.07287145 19.369768 1 265 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 98.44 -4.5432673 0.47201464 17.976105 1 266 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 98.83 -3.8385038 1.7769344 17.847551 1 267 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 98.83 -2.6949058 1.8321692 17.082272 1 268 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 98.83 -2.2049518 0.85592294 16.541824 1 269 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 98.44 -2.13561 3.0741858 16.963028 1 270 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 98.44 -2.5983176 4.242738 17.525309 1 271 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 98.83 -2.0174637 5.308858 17.341911 1 272 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 98.44 -3.8006136 4.115412 18.32351 1 273 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 98.83 -4.378628 5.329273 18.98498 1 274 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 98.83 -4.357133 2.9058251 18.438364 1 275 +ATOM P P . DG A0 1 14 . 14 DG A0 P 98.05 -5.5447283 -3.0988069 20.046263 1 276 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 98.05 -5.863946 -2.4127474 21.322784 1 277 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 97.66 -6.084979 -4.4465933 19.74596 1 278 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 97.66 -3.973631 -3.156575 19.892883 1 279 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 97.27 -3.4340785 -3.589082 18.662025 1 280 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 98.44 -1.9246911 -3.6151958 18.75793 1 281 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 98.44 -1.3979726 -2.2727795 18.615723 1 282 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 98.05 -1.4121948 -4.126218 20.097546 1 283 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 98.05 -0.27191132 -4.9083014 19.83047 1 284 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 98.05 -1.077051 -2.8451385 20.857906 1 285 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 98.05 -0.59320235 -1.9606915 19.731615 1 286 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 98.44 -0.7019553 -0.5230328 19.923876 1 287 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 98.44 -1.609983 0.1791469 20.677948 1 288 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 98.44 -1.4515232 1.4659445 20.616817 1 289 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 98.44 -0.37298155 1.6346772 19.760983 1 290 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 98.83 0.26292455 2.8126564 19.309967 1 291 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 98.44 -0.008684161 3.9913378 19.571686 1 292 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 98.83 1.3191633 2.5353088 18.450161 1 293 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 98.44 1.7116463 1.2733278 18.070023 1 294 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 98.44 2.7493787 1.1973736 17.235458 1 295 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 98.44 1.1206617 0.160806 18.487165 1 296 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 98.44 0.094773784 0.41538745 19.326927 1 297 +ATOM P P . DG A0 1 15 . 15 DG A0 P 98.05 0.4376516 -5.762864 20.91763 1 298 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 98.44 0.051135957 -5.262064 22.260628 1 299 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 98.05 0.24596061 -7.1946707 20.568012 1 300 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 97.66 1.9588413 -5.4049234 20.66546 1 301 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 97.27 2.4505534 -5.332223 19.33941 1 302 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 98.05 3.7664466 -4.5867596 19.350859 1 303 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 98.44 3.5089264 -3.1580572 19.43391 1 304 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 98.05 4.638467 -4.940285 20.548285 1 305 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 97.66 5.987153 -5.048485 20.135353 1 306 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 98.05 4.417841 -3.766541 21.498455 1 307 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 98.05 4.1990013 -2.6185875 20.536514 1 308 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 98.44 3.4006534 -1.519166 21.066137 1 309 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 98.44 2.2524204 -1.601831 21.817553 1 310 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 98.44 1.768646 -0.44198608 22.15713 1 311 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 98.44 2.643942 0.46775115 21.585148 1 312 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 98.44 2.6428385 1.8822913 21.606382 1 313 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 98.44 1.8322469 2.640202 22.15503 1 314 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 98.44 3.718276 2.4202175 20.899992 1 315 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 98.44 4.672297 1.673203 20.25101 1 316 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 98.05 5.628807 2.3629088 19.620575 1 317 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 98.44 4.6898994 0.34942424 20.222435 1 318 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 98.44 3.650765 -0.1826544 20.903343 1 319 +ATOM P P . DG A0 1 16 . 16 DG A0 P 98.44 7.143889 -5.2780285 21.198654 1 320 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 98.44 6.5102005 -5.468546 22.528233 1 321 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 98.05 8.094464 -6.2718563 20.671925 1 322 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 97.66 7.842868 -3.8507013 21.215843 1 323 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 97.27 8.26813 -3.2327595 20.003365 1 324 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 97.66 9.011602 -1.9555604 20.329775 1 325 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 98.05 8.067345 -0.9500565 20.779842 1 326 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 97.66 10.029665 -2.1097064 21.452984 1 327 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 97.27 11.110083 -1.2192571 21.231628 1 328 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 97.66 9.242428 -1.6676586 22.679132 1 329 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 97.66 8.408347 -0.54159415 22.094162 1 330 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 98.05 7.171999 -0.2319532 22.801567 1 331 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 97.66 6.2773075 -1.1119509 23.347414 1 332 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 98.05 5.2588034 -0.52711225 23.91684 1 333 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 98.05 5.492054 0.82816726 23.725342 1 334 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 98.05 4.7330413 1.9578236 24.11876 1 335 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 97.66 3.6645215 1.9877563 24.729607 1 336 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 98.05 5.3372226 3.150724 23.728554 1 337 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 98.05 6.5211153 3.2367764 23.03817 1 338 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 98.05 6.9470444 4.4786816 22.750105 1 339 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 97.66 7.244725 2.1900792 22.663647 1 340 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 98.05 6.668138 1.0231771 23.036049 1 341 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 94.14 -2.3506274 8.700052 28.85662 1 342 +ATOM P P . DT B0 2 1 . 1 DT B0 P 96.88 -1.9202328 8.311837 30.322994 1 343 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 96.09 -2.5698757 7.051582 30.002747 1 344 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 96.09 -2.319059 9.509685 30.833714 1 345 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 94.92 -0.24247092 8.240725 30.380337 1 346 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 95.7 0.38842836 9.310562 31.021563 1 347 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 98.05 1.5974228 9.779046 30.18587 1 348 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 98.44 2.5865455 8.729409 30.211863 1 349 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 98.44 1.2364981 10.012711 28.737263 1 350 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 98.05 1.6907246 11.274 28.272987 1 351 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 98.05 1.9113297 8.889166 27.9611 1 352 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 98.44 2.9907742 8.383903 28.898766 1 353 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 98.83 3.0993648 6.9068 28.777393 1 354 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 98.83 4.2442703 6.343117 28.268917 1 355 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 98.44 5.234499 6.9842196 27.946327 1 356 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 98.44 4.2127285 4.986947 28.151072 1 357 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 98.44 3.1585436 4.152762 28.477287 1 358 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 98.05 3.2294896 2.937874 28.319359 1 359 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 98.05 1.9945552 4.798992 28.999819 1 360 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 98.44 0.7907876 3.9761968 29.380844 1 361 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 98.44 2.02092 6.1341453 29.126152 1 362 +ATOM P P . DC B0 2 2 . 2 DC B0 P 97.27 1.0635841 11.724436 26.816212 1 363 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 94.53 0.027446548 10.765326 26.362839 1 364 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 90.62 0.7457486 13.164843 26.906658 1 365 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 96.88 2.344747 11.542107 25.882011 1 366 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 97.27 3.6415315 11.854883 26.366974 1 367 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 97.66 4.681826 11.341465 25.390835 1 368 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 98.05 4.863737 9.904928 25.57605 1 369 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 98.05 4.311455 11.5401745 23.93 1 370 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 97.66 5.4466767 11.951437 23.183113 1 371 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 97.27 3.840907 10.165953 23.488117 1 372 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 97.66 4.677818 9.232326 24.34562 1 373 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 97.66 4.0298557 7.928298 24.61095 1 374 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 98.05 4.703451 6.74203 24.28062 1 375 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 97.27 5.8405414 6.81394 23.77908 1 376 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 98.05 4.1009793 5.5536256 24.512234 1 377 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 98.05 2.8800972 5.5324435 25.048151 1 378 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 97.27 2.321822 4.336307 25.262154 1 379 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 97.66 2.1711044 6.715559 25.393375 1 380 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 97.66 2.7828345 7.884407 25.164318 1 381 +ATOM P P . DC B0 2 3 . 3 DC B0 P 97.66 5.2599783 12.494072 21.689213 1 382 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 96.48 3.815205 12.453634 21.341633 1 383 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 94.53 5.992802 13.781937 21.647772 1 384 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 96.48 6.0007143 11.440908 20.749039 1 385 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 97.27 7.059352 10.635261 21.24021 1 386 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 98.05 7.4370575 9.6159115 20.1734 1 387 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 98.05 6.8722267 8.320406 20.52932 1 388 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 98.05 6.9047117 9.939774 18.783848 1 389 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 98.05 7.864801 9.569609 17.805046 1 390 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 98.05 5.6465764 9.0882015 18.667225 1 391 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 98.05 5.9977036 7.8720684 19.512054 1 392 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 98.44 4.827356 7.248517 20.159008 1 393 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 98.44 4.740329 5.852827 20.226023 1 394 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 98.44 5.6610346 5.1673164 19.748037 1 395 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 98.44 3.6605344 5.295514 20.814388 1 396 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 98.44 2.6979756 6.0745497 21.316643 1 397 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 98.44 1.6471801 5.4832525 21.88709 1 398 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 98.44 2.7633781 7.495522 21.260283 1 399 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 98.44 3.8407998 8.033591 20.678925 1 400 +ATOM P P . DC B0 2 4 . 4 DC B0 P 98.05 7.6023045 9.894318 16.23936 1 401 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 98.05 6.2066774 10.3421755 16.03426 1 402 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 97.66 8.729537 10.760587 15.834238 1 403 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 97.27 7.762146 8.479697 15.538256 1 404 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 97.27 8.439999 7.437755 16.207026 1 405 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 98.44 8.037542 6.094165 15.636049 1 406 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 98.05 6.8914795 5.5639715 16.351452 1 407 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 98.44 7.6326413 6.1130457 14.172976 1 408 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 98.44 8.072639 4.894209 13.604797 1 409 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 98.05 6.10085 6.1783924 14.228552 1 410 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 98.83 5.8262873 5.317747 15.449406 1 411 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 98.44 4.5780697 5.599782 16.191256 1 412 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 98.44 3.8758974 4.5283165 16.735355 1 413 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 98.44 4.301141 3.3722572 16.565012 1 414 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 98.44 2.7561562 4.777919 17.445948 1 415 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 98.83 2.3297262 6.0332813 17.620535 1 416 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 98.83 1.2237487 6.233843 18.326454 1 417 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 98.44 3.032539 7.1385756 17.069225 1 418 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 98.44 4.1410437 6.877595 16.368904 1 419 +ATOM P P . DA B0 2 5 . 5 DA B0 P 98.05 8.55176 4.8214197 12.076443 1 420 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 97.27 8.250965 6.105634 11.390821 1 421 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 96.09 9.927219 4.274511 12.081121 1 422 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 96.48 7.5876403 3.716385 11.4970455 1 423 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 96.88 7.5397844 2.4496253 12.127431 1 424 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 98.05 6.1967764 1.81113 11.875797 1 425 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 98.44 5.1923347 2.4336076 12.710714 1 426 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 98.44 5.686063 1.9362316 10.433863 1 427 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 98.05 5.1707745 0.6736918 10.050085 1 428 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 98.05 4.58494 2.999147 10.548172 1 429 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 98.05 4.0530996 2.678101 11.929231 1 430 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 98.83 3.2423368 3.6937728 12.582772 1 431 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 98.44 3.300911 5.0573277 12.457037 1 432 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 98.44 2.4185727 5.7035427 13.177851 1 433 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 98.44 1.7315441 4.690054 13.829872 1 434 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 98.44 0.66449285 4.7125654 14.746864 1 435 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 98.44 0.08237569 5.825178 15.1831045 1 436 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 98.44 0.21661574 3.5251446 15.21447 1 437 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 98.44 0.804963 2.4004116 14.777666 1 438 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 98.83 1.8124316 2.2612786 13.919327 1 439 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 98.44 2.2305036 3.4575598 13.477064 1 440 +ATOM P P . DC B0 2 6 . 6 DC B0 P 98.44 5.008092 0.33555043 8.48387 1 441 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 98.44 6.173423 0.87125546 7.7478476 1 442 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 98.05 4.70133 -1.1343808 8.398616 1 443 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 97.66 3.7366366 1.1932284 8.095535 1 444 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 98.05 2.4955158 0.59082747 7.8392262 1 445 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 98.83 1.7794055 0.15134524 9.083458 1 446 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 98.83 1.6215892 1.253071 10.0085535 1 447 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 98.44 0.3737924 -0.37051165 8.816521 1 448 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 98.44 0.13012697 -1.5735496 9.521425 1 449 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 98.44 -0.5194874 0.7518665 9.342676 1 450 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 98.83 0.30168664 1.3131212 10.469058 1 451 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 98.83 -0.06839123 2.7063284 10.832362 1 452 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 98.83 -1.0156165 2.9197547 11.835787 1 453 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 98.83 -1.5052445 1.955981 12.425664 1 454 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 98.83 -1.3665953 4.1926904 12.146921 1 455 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 98.83 -0.8186753 5.2161446 11.498634 1 456 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 98.83 -1.1908448 6.4434004 11.843023 1 457 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 98.83 0.15682274 5.004486 10.470953 1 458 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 98.83 0.49910113 3.7510152 10.172149 1 459 +ATOM P P . DT B0 2 7 . 7 DT B0 P 98.83 -1.0680653 -2.5374823 8.99943 1 460 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 98.44 -1.2497554 -2.3970854 7.533612 1 461 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 98.44 -0.79715014 -3.8662953 9.599432 1 462 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 98.05 -2.359282 -1.9155467 9.692075 1 463 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 98.44 -2.5186455 -2.01384 11.086652 1 464 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 98.83 -3.9001594 -1.5316212 11.50387 1 465 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 98.83 -3.9274912 -0.08615422 11.500303 1 466 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 98.83 -5.065317 -1.97807 10.614422 1 467 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 98.44 -6.124655 -2.351397 11.498654 1 468 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 98.44 -5.420027 -0.71568346 9.813075 1 469 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 98.44 -5.089368 0.3704544 10.824381 1 470 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 98.83 -4.736544 1.7349124 10.345203 1 471 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 98.83 -5.3339753 2.793448 10.99505 1 472 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 98.83 -6.1754823 2.65059 11.866867 1 473 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 98.83 -4.9015775 4.0315385 10.599952 1 474 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 98.83 -3.9603033 4.3056526 9.6341305 1 475 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 98.44 -3.6437993 5.4641294 9.374858 1 476 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 98.83 -3.3850904 3.1536293 8.981798 1 477 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 98.44 -2.354479 3.353036 7.909257 1 478 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 98.83 -3.7967317 1.9399759 9.364191 1 479 +ATOM P P . DT B0 2 8 . 8 DT B0 P 98.44 -7.38667 -3.1880417 11.001516 1 480 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 98.05 -7.1890087 -3.6246614 9.601612 1 481 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 97.66 -7.6564274 -4.189965 12.069454 1 482 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 97.66 -8.554077 -2.1121368 11.021456 1 483 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 98.05 -8.836295 -1.4408605 12.228716 1 484 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 98.44 -9.827847 -0.31514442 12.012502 1 485 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 98.83 -9.135342 0.8631221 11.511156 1 486 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 98.44 -10.966697 -0.59641075 11.028443 1 487 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 98.44 -12.190811 -0.3262384 11.712061 1 488 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 98.44 -10.722883 0.38629776 9.879318 1 489 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 98.83 -9.962937 1.50411 10.5687685 1 490 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 98.83 -9.054401 2.339764 9.734368 1 491 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 98.83 -9.053388 3.7121835 9.938407 1 492 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 98.44 -9.7777195 4.268645 10.744308 1 493 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 98.83 -8.157051 4.4079475 9.169454 1 494 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 98.83 -7.295892 3.874278 8.236031 1 495 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 98.44 -6.526719 4.5948753 7.600892 1 496 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 98.83 -7.3513966 2.439618 8.065711 1 497 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 98.44 -6.453583 1.7687703 7.0658236 1 498 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 98.83 -8.221236 1.749641 8.816807 1 499 +ATOM P P . DC B0 2 9 . 9 DC B0 P 98.44 -13.623144 -0.58159757 10.9725 1 500 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 98.44 -13.454859 -1.4830987 9.804371 1 501 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 98.05 -14.575556 -0.93713796 12.060431 1 502 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 98.05 -14.012527 0.8628173 10.430492 1 503 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 98.05 -13.955214 1.9571898 11.311224 1 504 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 98.83 -14.36981 3.2298152 10.607826 1 505 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 98.44 -13.19345 3.8424292 9.998865 1 506 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 98.44 -15.398513 3.0545928 9.485167 1 507 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 98.83 -16.476898 3.9513764 9.704466 1 508 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 98.83 -14.620449 3.4053664 8.218237 1 509 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 98.83 -13.558569 4.3422055 8.742716 1 510 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 98.83 -12.334881 4.4458494 7.9173536 1 511 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 98.83 -11.779926 5.70753 7.670742 1 512 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 98.83 -12.307881 6.7129726 8.177935 1 513 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 98.83 -10.672571 5.8052588 6.902457 1 514 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 98.83 -10.132996 4.7024345 6.376256 1 515 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 98.83 -9.04339 4.8433647 5.617139 1 516 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 98.83 -10.682228 3.4052525 6.608357 1 517 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 98.83 -11.776216 3.3273954 7.380821 1 518 +ATOM P P . DC B0 2 10 . 10 DC B0 P 98.44 -17.829605 3.8478966 8.8045025 1 519 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 98.05 -17.756699 2.6795363 7.888311 1 520 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 98.05 -18.957754 3.9850583 9.7664585 1 521 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 98.05 -17.77304 5.1707773 7.914117 1 522 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 98.44 -17.448204 6.398719 8.531172 1 523 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 98.44 -17.013407 7.3954635 7.4980025 1 524 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 98.83 -15.647327 7.100337 7.0668726 1 525 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 98.83 -17.86102 7.423113 6.217889 1 526 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 98.83 -18.21637 8.756103 5.917882 1 527 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 98.83 -16.91642 6.8737845 5.1636443 1 528 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 98.83 -15.582358 7.346007 5.6991863 1 529 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 98.83 -14.413527 6.680806 5.088683 1 530 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 98.83 -13.366861 7.4797 4.648325 1 531 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 98.83 -13.411976 8.701915 4.8353167 1 532 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 98.83 -12.314418 6.8946133 4.025955 1 533 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 98.83 -12.296175 5.5728817 3.8401675 1 534 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 98.83 -11.247608 5.045208 3.2173944 1 535 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 98.83 -13.362933 4.734461 4.2918243 1 536 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 98.83 -14.392092 5.3289948 4.9074936 1 537 +ATOM P P . DT B0 2 11 . 11 DT B0 P 98.44 -19.262133 9.102594 4.733252 1 538 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 98.05 -19.370155 7.9610023 3.7840285 1 539 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 98.05 -20.46845 9.649082 5.392355 1 540 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 97.66 -18.511456 10.290854 3.9732122 1 541 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 98.05 -17.863806 11.300655 4.723506 1 542 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 98.83 -16.913233 12.07971 3.834216 1 543 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 98.83 -15.791522 11.23601 3.4639769 1 544 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 98.83 -17.53791 12.568436 2.5280235 1 545 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 98.83 -17.12102 13.913081 2.3141437 1 546 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 98.83 -16.9757 11.607641 1.4782238 1 547 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 98.83 -15.62142 11.2520895 2.0605083 1 548 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 98.83 -15.062389 9.932144 1.6525564 1 549 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 98.83 -13.822802 9.8964615 1.0531875 1 550 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 98.83 -13.152964 10.894142 0.82123995 1 551 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 98.83 -13.376102 8.644806 0.7289659 1 552 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 98.83 -14.034744 7.4468374 0.938691 1 553 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 98.83 -13.527475 6.3779097 0.609426 1 554 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 98.83 -15.332434 7.557864 1.5667912 1 555 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 98.83 -16.128817 6.3149443 1.8367985 1 556 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 98.83 -15.7785 8.777218 1.8908134 1 557 +ATOM P P . DT B0 2 12 . 12 DT B0 P 98.44 -17.804077 14.82852 1.166971 1 558 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 98.44 -18.778042 14.009441 0.38232863 1 559 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 98.05 -18.241096 16.067818 1.8363035 1 560 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 97.66 -16.581833 15.174976 0.2134804 1 561 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 98.44 -15.580278 14.208668 0.058029026 1 562 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 98.83 -14.4287615 14.743009 -0.74824715 1 563 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 98.44 -13.597326 13.6090355 -1.0362351 1 564 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 98.83 -14.7860365 15.33671 -2.1129706 1 565 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 98.44 -13.788296 16.29055 -2.4661565 1 566 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 98.44 -14.800854 14.104923 -3.0056272 1 567 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 98.83 -13.716285 13.230924 -2.3952842 1 568 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 98.83 -13.981157 11.769918 -2.437291 1 569 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 98.83 -12.949137 10.9334755 -2.7919164 1 570 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 98.83 -11.834827 11.3393755 -3.077875 1 571 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 98.44 -13.254347 9.596374 -2.7987208 1 572 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 98.83 -14.4726515 9.030655 -2.4852967 1 573 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 98.83 -14.62171 7.816559 -2.521055 1 574 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 98.83 -15.517953 9.959961 -2.120802 1 575 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 98.83 -16.877468 9.444224 -1.7692137 1 576 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 98.83 -15.221152 11.271927 -2.112134 1 577 +ATOM P P . DT B0 2 13 . 13 DT B0 P 98.44 -13.768435 16.910667 -3.963677 1 578 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 98.05 -15.095842 16.757875 -4.605979 1 579 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 98.44 -13.168557 18.260006 -3.7958574 1 580 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 98.44 -12.725186 16.006035 -4.7535696 1 581 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 98.05 -11.427132 15.800292 -4.2114487 1 582 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 98.83 -10.561697 14.983808 -5.1560283 1 583 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 98.44 -10.98388 13.599775 -5.1557016 1 584 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 98.83 -10.575134 15.425893 -6.618607 1 585 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 98.83 -9.224571 15.375578 -7.0730386 1 586 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 98.83 -11.458676 14.389813 -7.3079815 1 587 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 98.83 -11.166353 13.148085 -6.486483 1 588 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 98.83 -12.2093525 12.086317 -6.423502 1 589 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 98.83 -11.81023 10.782864 -6.6119943 1 590 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 98.83 -10.662022 10.460769 -6.8901954 1 591 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 98.83 -12.794867 9.850082 -6.459122 1 592 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 98.83 -14.121576 10.085547 -6.1467137 1 593 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 98.83 -14.913827 9.156006 -6.0256653 1 594 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 98.83 -14.480271 11.474348 -5.9763274 1 595 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 98.83 -15.896372 11.833706 -5.6436334 1 596 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 98.83 -13.516746 12.3945265 -6.1161413 1 597 +ATOM P P . DT B0 2 14 . 14 DT B0 P 98.44 -8.830127 15.809292 -8.606993 1 598 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 98.44 -9.978773 16.503857 -9.230565 1 599 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 98.05 -7.507064 16.479086 -8.509369 1 600 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 98.05 -8.618584 14.416242 -9.344534 1 601 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 97.66 -7.656717 13.510834 -8.828344 1 602 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 98.83 -7.648598 12.217958 -9.630857 1 603 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 98.83 -8.840663 11.452553 -9.356305 1 604 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 98.83 -7.599411 12.384562 -11.146465 1 605 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 98.83 -6.5718145 11.522133 -11.618459 1 606 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 98.44 -8.981069 11.952706 -11.623186 1 607 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 98.44 -9.35487 10.930134 -10.565954 1 608 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 98.83 -10.80061 10.662654 -10.338114 1 609 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 98.83 -11.220848 9.357931 -10.244415 1 610 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 98.83 -10.478153 8.394663 -10.377016 1 611 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 98.83 -12.544857 9.193788 -9.9752445 1 612 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 98.83 -13.476488 10.197641 -9.804464 1 613 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 98.44 -14.650171 9.937857 -9.560481 1 614 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 98.83 -12.974854 11.542954 -9.924612 1 615 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 98.44 -13.906517 12.702179 -9.76195 1 616 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 98.83 -11.676044 11.708437 -10.180838 1 617 +ATOM P P . DA B0 2 15 . 15 DA B0 P 98.05 -6.1763115 11.403466 -13.17178 1 618 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 98.05 -6.858062 12.471588 -13.943211 1 619 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 97.66 -4.696107 11.274868 -13.19808 1 620 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 97.27 -6.812199 10.008461 -13.591967 1 621 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 97.66 -6.621095 8.876446 -12.770222 1 622 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 98.83 -7.268812 7.65561 -13.388092 1 623 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 98.44 -8.672297 7.6165924 -13.030094 1 624 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 98.44 -7.2097826 7.580712 -14.909463 1 625 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 98.44 -6.7943134 6.2710066 -15.256468 1 626 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 98.44 -8.643343 7.8975573 -15.343157 1 627 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 98.44 -9.465803 7.3818026 -14.174105 1 628 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 98.83 -10.741064 8.051054 -13.932074 1 629 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 98.83 -10.982807 9.394928 -13.904242 1 630 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 98.83 -12.224365 9.706966 -13.613844 1 631 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 98.44 -12.845878 8.475225 -13.439489 1 632 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 98.83 -14.167683 8.12449 -13.113946 1 633 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 98.44 -15.136732 9.006113 -12.898144 1 634 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 98.83 -14.457785 6.8053217 -13.01537 1 635 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 98.83 -13.482473 5.9168944 -13.234896 1 636 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 98.83 -12.20241 6.1316967 -13.544437 1 637 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 98.44 -11.942316 7.4518023 -13.633558 1 638 +ATOM P P . DT B0 2 16 . 16 DT B0 P 98.05 -6.7062397 5.749537 -16.766342 1 639 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 98.05 -6.7831826 6.9057927 -17.695541 1 640 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 98.05 -5.5575776 4.80987 -16.849537 1 641 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 97.27 -8.048155 4.922295 -16.897827 1 642 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 97.66 -8.404533 3.9907382 -15.885776 1 643 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 98.44 -9.672783 3.2775238 -16.278576 1 644 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 98.44 -10.828691 4.0916677 -15.902119 1 645 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 98.44 -9.80522 3.0019624 -17.770851 1 646 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 98.44 -10.347454 1.711896 -17.966133 1 647 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 98.44 -10.785023 4.085207 -18.233587 1 648 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 98.44 -11.692022 4.1862698 -17.01764 1 649 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 98.44 -12.494448 5.4231725 -16.875528 1 650 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 98.44 -13.783476 5.3054285 -16.391659 1 651 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 98.83 -14.283983 4.2390804 -16.078026 1 652 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 98.83 -14.47136 6.484413 -16.272514 1 653 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 98.44 -13.998608 7.7477016 -16.582962 1 654 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 98.44 -14.712357 8.731215 -16.429829 1 655 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 98.83 -12.638537 7.8009343 -17.088228 1 656 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 98.44 -12.025938 9.130339 -17.47126 1 657 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 98.44 -11.958637 6.6505194 -17.20653 1 658 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 90.62 7.68221 -12.004101 20.721706 1 659 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 92.97 7.516734 -10.583399 21.065912 1 660 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 94.92 8.8074465 -9.804346 21.1984 1 661 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 92.58 8.774563 -8.604194 21.472134 1 662 +ATOM N N . SER C0 3 2 . 2 SER C0 N 92.58 9.927626 -10.478525 20.978172 1 663 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 94.14 11.232057 -9.840294 21.14199 1 664 +ATOM C C . SER C0 3 2 . 2 SER C0 C 94.53 11.770497 -9.226485 19.849552 1 665 +ATOM O O . SER C0 3 2 . 2 SER C0 O 92.97 12.7283 -8.4593 19.896591 1 666 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 92.19 12.244268 -10.84724 21.703583 1 667 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 91.41 12.397396 -11.967595 20.854942 1 668 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 89.45 11.149288 -9.551609 18.711807 1 669 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 93.75 11.583111 -8.993584 17.43171 1 670 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 95.7 10.733017 -7.7946453 17.022606 1 671 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 93.36 9.504117 -7.797419 17.178219 1 672 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 91.02 11.568967 -10.05781 16.32478 1 673 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 90.62 12.718435 -11.070705 16.416084 1 674 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 89.84 13.013693 -11.733147 15.056168 1 675 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 88.67 14.017779 -10.932931 14.265711 1 676 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 87.5 14.399139 -11.588409 12.976629 1 677 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 90.23 11.379406 -6.768318 16.516434 1 678 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 94.14 10.707727 -5.593335 15.984806 1 679 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 95.7 9.750656 -6.025505 14.887621 1 680 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 93.36 10.093293 -6.870097 14.055011 1 681 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 91.02 11.749703 -4.6156855 15.438051 1 682 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 91.02 11.149895 -3.3679667 14.808013 1 683 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 89.84 12.202848 -2.5917485 13.990404 1 684 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 89.06 13.131958 -1.804218 14.889863 1 685 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 87.5 14.029149 -0.9242506 14.110666 1 686 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 90.62 8.545749 -5.4819727 14.878491 1 687 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 95.7 7.529878 -5.8728476 13.902044 1 688 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 96.88 7.929657 -5.43163 12.499998 1 689 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 95.31 8.305492 -4.2717695 12.290247 1 690 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 92.19 6.1663637 -5.26903 14.30032 1 691 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 92.19 4.983322 -5.877287 13.578668 1 692 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 91.02 3.7350144 -4.9544277 13.672131 1 693 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 90.23 3.124148 -4.881391 15.067158 1 694 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 89.45 2.3680694 -6.1074443 15.433332 1 695 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 94.53 7.8451595 -6.3514614 11.531413 1 696 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 97.66 8.222992 -6.0838785 10.145227 1 697 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 98.05 7.395922 -4.9497423 9.540694 1 698 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 97.66 6.203127 -4.82275 9.824998 1 699 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 95.7 8.11455 -7.364807 9.2747345 1 700 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 93.75 8.762338 -7.1503344 7.9032807 1 701 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 93.75 6.6574335 -7.79529 9.133993 1 702 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 91.02 8.860187 -8.423274 7.048285 1 703 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 97.66 8.049406 -4.1332636 8.717146 1 704 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 98.05 7.3591137 -3.027678 8.065997 1 705 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 98.05 6.8042564 -3.4755397 6.7253046 1 706 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 98.05 7.33763 -4.4203663 6.11502 1 707 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 97.27 8.321549 -1.8476028 7.901442 1 708 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 96.48 9.003512 -1.5053451 9.2173195 1 709 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 96.09 9.72679 -0.16704074 9.306397 1 710 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 96.09 9.051507 0.914013 8.616995 1 711 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 96.48 9.504641 2.1574423 8.563135 1 712 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 94.53 10.634355 2.4778104 9.17378 1 713 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 94.14 8.818644 3.077125 7.9016814 1 714 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 98.44 5.7579675 -2.7995715 6.250887 1 715 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 98.44 5.097596 -3.1681087 5.0049214 1 716 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 98.44 6.0617313 -3.1984549 3.815036 1 717 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 98.05 6.046076 -4.1494493 3.0308897 1 718 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 98.44 3.921658 -2.2235672 4.7116613 1 719 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 97.66 3.180996 -2.446865 3.3834138 1 720 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 97.66 2.108826 -1.3759975 3.1917984 1 721 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 97.66 2.5758138 -3.835591 3.3126779 1 722 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 98.44 6.89672 -2.1664479 3.6779394 1 723 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 98.05 7.8097224 -2.126989 2.5336719 1 724 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 98.44 8.779125 -3.3033075 2.532261 1 725 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 97.27 9.132435 -3.8241274 1.4664936 1 726 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 97.27 8.55163 -0.7823521 2.4406133 1 727 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 96.09 9.609713 -0.52856624 3.4901514 1 728 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 95.31 9.377573 0.32220513 4.5628614 1 729 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 95.7 10.870323 -1.1277096 3.3912244 1 730 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 94.92 10.357315 0.5705492 5.512398 1 731 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 94.92 11.84984 -0.88463014 4.3375797 1 732 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 94.53 11.583795 -0.04109738 5.396393 1 733 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 94.14 12.562347 0.20628524 6.340839 1 734 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 98.05 9.196323 -3.7678776 3.7281117 1 735 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 98.05 10.095439 -4.9199157 3.8228252 1 736 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 98.44 9.373314 -6.1984425 3.437697 1 737 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 98.05 9.937586 -7.064184 2.7672377 1 738 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 97.66 10.667899 -5.0548644 5.228779 1 739 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 95.31 12.066131 -4.478204 5.3806744 1 740 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 94.92 13.049767 -5.052958 4.371009 1 741 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 93.36 13.049053 -6.237382 4.024391 1 742 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 94.14 13.922104 -4.1961603 3.8511815 1 743 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 98.44 8.124294 -6.335025 3.874258 1 744 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 98.44 7.291051 -7.4788303 3.5320127 1 745 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 98.44 7.1608286 -7.617303 2.0126247 1 746 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 97.66 7.331124 -8.70248 1.4598124 1 747 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 98.05 5.908786 -7.3272886 4.170853 1 748 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 98.44 4.894244 -8.347917 3.7358353 1 749 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 98.44 3.9094677 -8.016307 2.8178008 1 750 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 98.44 4.9094696 -9.63043 4.2532773 1 751 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 98.44 2.963206 -8.948116 2.4211009 1 752 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 98.44 3.9678676 -10.565259 3.864042 1 753 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 98.44 2.9916577 -10.229393 2.9440875 1 754 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 98.44 6.897916 -6.5012026 1.3354366 1 755 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 98.44 6.7307167 -6.5016794 -0.114960924 1 756 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 98.44 8.042517 -6.78089 -0.84162796 1 757 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 98.05 8.0780945 -7.5805173 -1.7795234 1 758 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 98.44 6.1429205 -5.1638556 -0.58435833 1 759 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 97.66 4.75181 -4.8230696 -0.03960158 1 760 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 97.27 4.350363 -3.4129357 -0.47908747 1 761 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 97.66 3.7285814 -5.8485947 -0.50824195 1 762 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 98.44 9.115065 -6.133683 -0.4041043 1 763 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 98.44 10.424015 -6.348081 -1.0142423 1 764 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 98.05 10.8604965 -7.7974386 -0.8476447 1 765 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 98.05 11.376221 -8.410793 -1.7904443 1 766 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 98.05 11.468306 -5.402445 -0.40159208 1 767 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 97.27 12.880575 -5.48952 -0.98017144 1 768 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 96.48 13.794161 -4.4896455 -0.2766708 1 769 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 96.88 12.880261 -5.2419972 -2.4872336 1 770 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 98.44 10.642303 -8.362387 0.33756468 1 771 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 98.05 10.964455 -9.762741 0.59678245 1 772 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 98.05 10.224491 -10.692296 -0.35898888 1 773 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 97.27 10.809917 -11.637236 -0.88364804 1 774 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 97.66 10.626432 -10.143829 2.0474272 1 775 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 97.27 11.568157 -9.514754 3.0666156 1 776 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 96.88 12.565172 -8.868635 2.6574574 1 777 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 96.48 11.318967 -9.658855 4.2828746 1 778 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 98.44 8.94268 -10.424379 -0.5879114 1 779 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 98.44 8.149431 -11.230148 -1.5149363 1 780 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 98.44 8.725586 -11.178513 -2.9275985 1 781 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 97.66 8.850941 -12.206106 -3.5962663 1 782 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 98.44 6.6967564 -10.7472725 -1.5688801 1 783 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 97.66 5.7282953 -11.17297 -0.471559 1 784 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 97.66 4.301305 -10.969147 -0.976111 1 785 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 97.66 5.938884 -12.626472 -0.087676644 1 786 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 98.44 9.050746 -9.963149 -3.3753166 1 787 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 98.44 9.5823345 -9.778252 -4.719429 1 788 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 97.66 10.920427 -10.482811 -4.9059296 1 789 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 96.88 11.183838 -11.039573 -5.972157 1 790 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 98.44 9.705831 -8.284099 -5.029174 1 791 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 98.05 8.373671 -7.608025 -5.387022 1 792 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 97.66 8.467728 -6.103925 -5.208046 1 793 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 98.05 7.951938 -7.963173 -6.804575 1 794 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 98.44 11.750702 -10.476505 -3.8713534 1 795 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 98.05 13.057446 -11.104955 -3.94661 1 796 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 97.27 12.9991 -12.619802 -3.7594786 1 797 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 94.92 13.835474 -13.33993 -4.307828 1 798 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 97.66 14.022644 -10.4602585 -2.9379232 1 799 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 97.27 14.435366 -9.060651 -3.3553672 1 800 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 96.88 15.372267 -8.39027 -2.36057 1 801 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 97.27 15.829611 -7.1025 -2.8950999 1 802 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 96.88 16.60693 -6.2300253 -2.2556906 1 803 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 96.09 17.031559 -6.5154986 -1.0229805 1 804 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 96.09 16.954956 -5.0863805 -2.826921 1 805 +ATOM N N . SER C0 3 18 . 18 SER C0 N 98.05 12.023111 -13.104681 -3.0041447 1 806 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 97.66 11.82576 -14.551535 -2.8129296 1 807 +ATOM C C . SER C0 3 18 . 18 SER C0 C 96.88 11.198745 -15.177544 -4.050466 1 808 +ATOM O O . SER C0 3 18 . 18 SER C0 O 93.75 11.616283 -16.248264 -4.490263 1 809 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 96.88 10.910682 -14.836504 -1.6221218 1 810 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 95.7 11.101086 -13.921446 -0.58779454 1 811 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 97.27 10.186939 -14.532139 -4.5681996 1 812 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 97.27 9.485439 -15.015324 -5.7477083 1 813 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 97.27 8.115159 -15.612007 -5.4728622 1 814 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 95.7 7.446786 -16.064 -6.403528 1 815 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 96.48 7.6572943 -15.645544 -4.221649 1 816 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 97.27 6.3127785 -16.134804 -3.9369884 1 817 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 97.27 5.299114 -15.057906 -4.313364 1 818 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 96.48 5.6503243 -13.877747 -4.4197445 1 819 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 95.7 6.169821 -16.524523 -2.4646635 1 820 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 95.7 5.006301 -17.469193 -2.2192411 1 821 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 94.92 4.3987083 -17.971653 -3.2014544 1 822 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 94.92 4.6834087 -17.734638 -1.0435965 1 823 +ATOM N N . MET C0 3 21 . 21 MET C0 N 97.66 4.064348 -15.459757 -4.5123 1 824 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 97.66 2.9592009 -14.567474 -4.8618984 1 825 +ATOM C C . MET C0 3 21 . 21 MET C0 C 98.44 3.1947432 -13.796552 -6.1599865 1 826 +ATOM O O . MET C0 3 21 . 21 MET C0 O 97.27 2.8342366 -12.619107 -6.2725496 1 827 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 97.27 2.661868 -13.6001625 -3.7106931 1 828 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 96.88 2.4834542 -14.298416 -2.3773332 1 829 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 97.66 1.4399695 -13.389572 -1.2107644 1 830 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 95.31 -0.17101368 -13.647556 -1.9336154 1 831 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 97.27 3.7797709 -14.483567 -7.1725216 1 832 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 97.27 4.0098734 -13.851398 -8.473048 1 833 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 97.27 2.699976 -13.571583 -9.1989975 1 834 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 96.48 2.6662045 -12.77269 -10.129897 1 835 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 97.27 4.921645 -14.728743 -9.346192 1 836 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 96.88 6.3227973 -14.883684 -8.781359 1 837 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 96.48 7.2751093 -15.462479 -9.823608 1 838 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 95.7 8.564762 -15.956049 -9.19803 1 839 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 94.53 9.710104 -15.018237 -9.448015 1 840 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 97.66 1.6287786 -14.248875 -8.770517 1 841 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 98.05 0.30188417 -13.965817 -9.303743 1 842 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 97.66 -0.21537814 -12.625029 -8.796064 1 843 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 97.27 -1.0896653 -12.019908 -9.410984 1 844 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 97.27 -0.6925037 -15.059451 -8.905989 1 845 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 97.27 -0.42905694 -16.380238 -9.595681 1 846 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 96.48 -0.31693622 -16.385757 -10.838778 1 847 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 96.48 -0.3340848 -17.410046 -8.897313 1 848 +ATOM N N . SER C0 3 24 . 24 SER C0 N 98.05 0.32166147 -12.190739 -7.6594906 1 849 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 98.44 -0.16547641 -10.997971 -6.9723377 1 850 +ATOM C C . SER C0 3 24 . 24 SER C0 C 98.44 0.7139637 -9.759972 -7.160922 1 851 +ATOM O O . SER C0 3 24 . 24 SER C0 O 98.05 0.19624788 -8.643493 -7.214431 1 852 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 97.66 -0.29723352 -11.274345 -5.4715624 1 853 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 96.88 -1.1140516 -12.414618 -5.23171 1 854 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 98.44 2.0351052 -9.96084 -7.2512693 1 855 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 98.44 2.9727824 -8.842619 -7.329093 1 856 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 98.44 4.2222996 -9.248165 -8.109856 1 857 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 98.44 4.68294 -10.386602 -8.011108 1 858 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 98.05 3.3389287 -8.328917 -5.914684 1 859 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 96.88 4.1771436 -7.052126 -5.98987 1 860 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 97.66 4.0656376 -9.411432 -5.114493 1 861 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 96.09 4.4189262 -6.391793 -4.6258936 1 862 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 98.44 4.7621245 -8.33071 -8.894218 1 863 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 98.44 5.9428287 -8.624596 -9.726955 1 864 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 98.44 6.7162857 -7.3493743 -10.005669 1 865 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 97.66 6.1980543 -6.230389 -9.881077 1 866 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 98.05 5.5242834 -9.250813 -11.056663 1 867 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 98.05 4.4634323 -8.460287 -11.775715 1 868 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 97.66 4.6292267 -7.3714237 -12.568444 1 869 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 98.05 3.0497665 -8.6870365 -11.719365 1 870 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 97.66 3.4136362 -6.9074135 -13.015879 1 871 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 98.44 2.4281402 -7.705533 -12.5079155 1 872 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 97.66 2.2544508 -9.648386 -11.08844 1 873 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 98.05 1.0549327 -7.634678 -12.688719 1 874 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 97.27 0.88089126 -9.587118 -11.262717 1 875 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 97.66 0.2827792 -8.592566 -12.051045 1 876 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 98.44 8.002038 -7.5215607 -10.410866 1 877 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 98.44 8.807381 -6.3885756 -10.827507 1 878 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 98.44 8.3718405 -5.922468 -12.214347 1 879 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 97.66 8.214127 -6.742896 -13.125656 1 880 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 98.05 10.294923 -6.76202 -10.897407 1 881 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 98.44 10.970932 -7.0500703 -9.593002 1 882 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 98.05 11.472684 -8.249424 -9.171144 1 883 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 98.83 11.259097 -6.11408 -8.539627 1 884 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 98.44 12.042248 -8.121483 -7.928378 1 885 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 98.44 11.920639 -6.819848 -7.5139437 1 886 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 98.05 11.00149 -4.7423487 -8.364864 1 887 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 98.05 12.350727 -6.207824 -6.337121 1 888 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 98.05 11.425016 -4.133567 -7.187541 1 889 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 98.05 12.086282 -4.87002 -6.185528 1 890 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 98.44 8.208685 -4.609063 -12.3691845 1 891 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 98.05 7.950015 -4.0126686 -13.675787 1 892 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 98.44 9.28882 -3.5967393 -14.287192 1 893 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 97.27 9.539997 -3.805612 -15.465124 1 894 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 97.66 7.0133247 -2.7881832 -13.561866 1 895 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 95.7 6.976468 -2.0183578 -14.87933 1 896 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 96.09 5.6063223 -3.2413845 -13.169792 1 897 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 98.05 10.148372 -3.0453222 -13.429745 1 898 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 98.05 11.51186 -2.6706362 -13.80107 1 899 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 98.05 12.374777 -2.9067056 -12.564259 1 900 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 97.27 12.4433775 -2.0587966 -11.678938 1 901 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 97.66 11.557104 -1.2025588 -14.237219 1 902 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 98.05 12.923817 -0.77707446 -14.763218 1 903 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 97.27 13.937124 -1.391612 -14.378104 1 904 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 97.27 12.978283 0.19180308 -15.556764 1 905 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 98.05 13.009601 -4.077734 -12.520325 1 906 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 98.05 13.740765 -4.5261154 -11.3534775 1 907 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 98.05 14.889263 -3.600651 -10.970069 1 908 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 98.05 15.082764 -3.3023481 -9.790171 1 909 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 97.66 14.268662 -5.9424777 -11.594404 1 910 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 96.88 14.911802 -6.5967484 -10.396481 1 911 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 96.88 15.330985 -8.0049715 -10.763824 1 912 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 96.09 16.018116 -8.706773 -9.610577 1 913 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 94.92 16.433777 -10.068422 -9.989711 1 914 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 97.66 15.635165 -3.1444783 -11.959114 1 915 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 97.27 16.770943 -2.2629416 -11.713364 1 916 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 96.88 16.348793 -0.9162584 -11.136256 1 917 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 94.53 17.090723 -0.30803072 -10.380854 1 918 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 97.27 17.580463 -2.0480752 -12.997963 1 919 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 97.27 18.198517 -3.3248587 -13.52318 1 920 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 95.7 18.695555 -4.1317997 -12.70476 1 921 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 96.09 18.179714 -3.531777 -14.753857 1 922 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 97.66 15.161872 -0.4746196 -11.497303 1 923 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 98.05 14.645841 0.79894286 -11.023689 1 924 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 98.05 13.829017 0.65091074 -9.740624 1 925 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 97.66 13.5177 1.6514776 -9.070564 1 926 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 97.27 13.796024 1.4596989 -12.106928 1 927 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 96.88 13.564187 2.9494429 -11.871864 1 928 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 96.88 13.027288 3.648434 -13.114539 1 929 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 96.48 13.079187 5.1599193 -12.950569 1 930 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 94.14 14.471268 5.6232224 -12.664736 1 931 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 98.05 13.484846 -0.5761081 -9.374066 1 932 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 98.05 12.699598 -0.8293773 -8.174734 1 933 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 98.83 11.206091 -0.6445679 -8.368856 1 934 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 98.44 10.472931 -0.45107788 -7.3961163 1 935 +ATOM N N . THR C0 3 34 . 34 THR C0 N 98.83 10.758547 -0.7151459 -9.619173 1 936 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 98.44 9.347344 -0.5121866 -9.929157 1 937 +ATOM C C . THR C0 3 34 . 34 THR C0 C 98.83 8.602108 -1.8416651 -9.910496 1 938 +ATOM O O . THR C0 3 34 . 34 THR C0 O 98.05 9.032151 -2.8051372 -10.545813 1 939 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 98.05 9.172226 0.15538427 -11.306569 1 940 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 96.09 9.988583 1.3306811 -11.36602 1 941 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 96.88 7.7194514 0.5366397 -11.542455 1 942 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 98.44 7.4967284 -1.9005251 -9.167258 1 943 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 98.05 6.7211475 -3.127956 -9.046702 1 944 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 98.44 5.230295 -2.8576381 -9.216148 1 945 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 97.27 4.7821016 -1.7150434 -9.138945 1 946 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 98.05 6.9983206 -3.8170607 -7.698215 1 947 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 98.83 6.6380644 -2.9814415 -6.492154 1 948 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 98.44 7.506024 -2.0021057 -6.0247045 1 949 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 98.44 5.4366198 -3.1753156 -5.8252316 1 950 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 98.44 7.1782036 -1.2338855 -4.9078794 1 951 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 98.44 5.1078835 -2.4207113 -4.7082634 1 952 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 98.44 5.980811 -1.447634 -4.2485695 1 953 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 98.44 4.473754 -3.9231818 -9.469817 1 954 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 98.44 3.053491 -3.7707906 -9.758782 1 955 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 98.44 2.2181573 -4.889859 -9.154562 1 956 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 97.66 2.6559386 -6.0408316 -9.091764 1 957 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 97.66 2.8378272 -3.732537 -11.266323 1 958 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 96.09 1.3982565 -3.453272 -11.696003 1 959 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 98.44 1.2640626 -3.2165978 -13.190916 1 960 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 95.7 0.999536 -2.1063626 -13.65319 1 961 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 95.7 1.4845672 -4.273638 -13.958635 1 962 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 98.44 1.0198431 -4.539503 -8.686131 1 963 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 98.44 0.074187726 -5.511926 -8.144494 1 964 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 98.05 -0.8762759 -6.004122 -9.229985 1 965 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 96.88 -1.2059603 -5.2670126 -10.159017 1 966 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 97.66 -0.7637305 -4.893344 -7.0199575 1 967 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 98.44 0.021070741 -4.509153 -5.7998495 1 968 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 98.44 0.34317487 -3.177847 -5.562966 1 969 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 98.83 0.43029803 -5.473151 -4.895589 1 970 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 98.44 1.0693865 -2.8146598 -4.438486 1 971 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 98.44 1.1565762 -5.118286 -3.7670074 1 972 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 98.44 1.4761534 -3.7900348 -3.5360003 1 973 +ATOM N N . SER C0 3 38 . 38 SER C0 N 97.66 -1.3294431 -7.245821 -9.095627 1 974 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 98.05 -2.3499353 -7.7986326 -9.976379 1 975 +ATOM C C . SER C0 3 38 . 38 SER C0 C 98.05 -3.730365 -7.2928286 -9.567371 1 976 +ATOM O O . SER C0 3 38 . 38 SER C0 O 97.27 -4.0299497 -7.2207184 -8.3734865 1 977 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 97.27 -2.32598 -9.324316 -9.917629 1 978 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 96.48 -3.5259233 -9.875368 -10.420149 1 979 +ATOM N N . SER C0 3 39 . 39 SER C0 N 97.66 -4.5752945 -6.9708085 -10.52178 1 980 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 97.66 -5.9546466 -6.573086 -10.228222 1 981 +ATOM C C . SER C0 3 39 . 39 SER C0 C 97.66 -6.7208304 -7.7052164 -9.546047 1 982 +ATOM O O . SER C0 3 39 . 39 SER C0 O 96.48 -7.444358 -7.479347 -8.577467 1 983 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 97.27 -6.6878657 -6.174957 -11.510852 1 984 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 96.09 -6.162538 -4.9662433 -12.043169 1 985 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 97.66 -6.5418057 -8.924067 -10.053057 1 986 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 97.27 -7.3091226 -10.074685 -9.581421 1 987 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 96.88 -6.7886252 -10.689217 -8.286282 1 988 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 96.48 -7.575618 -11.259584 -7.526114 1 989 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 97.27 -7.3761635 -11.149909 -10.666685 1 990 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 97.66 -8.221867 -10.737619 -11.861996 1 991 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 97.27 -8.3461685 -11.852585 -12.873378 1 992 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 97.27 -9.185653 -11.401594 -14.058953 1 993 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 96.09 -9.427693 -12.518193 -15.01786 1 994 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 97.66 -5.4961967 -10.604183 -8.034233 1 995 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 97.66 -4.915184 -11.323936 -6.906591 1 996 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 97.66 -4.3183546 -10.442251 -5.809412 1 997 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 96.88 -3.677988 -10.954214 -4.8898964 1 998 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 96.88 -3.8639424 -12.320892 -7.4190083 1 999 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 96.88 -4.408473 -13.256247 -8.44481 1 1000 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 95.7 -4.137877 -13.130107 -9.794812 1 1001 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 96.48 -5.228503 -14.326736 -8.342968 1 1002 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 96.88 -4.7733736 -14.079664 -10.468534 1 1003 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 96.88 -5.44736 -14.821141 -9.597467 1 1004 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 98.05 -4.5371203 -9.144677 -5.8825393 1 1005 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 98.05 -3.9908912 -8.22876 -4.8846455 1 1006 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 98.05 -4.574292 -8.434517 -3.487794 1 1007 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 97.66 -3.8806386 -8.224239 -2.491298 1 1008 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 97.66 -4.1814265 -6.769207 -5.322613 1 1009 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 97.27 -5.617574 -6.362337 -5.5422835 1 1010 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 97.66 -5.6913514 -4.941765 -6.0945377 1 1011 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 97.66 -7.118155 -4.4346495 -6.2740517 1 1012 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 97.27 -7.8073044 -5.1077375 -7.372732 1 1013 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 98.05 -5.8204126 -8.864048 -3.399825 1 1014 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 98.05 -6.453988 -9.082376 -2.1078038 1 1015 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 98.44 -5.817851 -10.238747 -1.3392997 1 1016 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 98.05 -5.727839 -10.184462 -0.108951434 1 1017 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 97.66 -7.962515 -9.328119 -2.270115 1 1018 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 96.88 -8.743664 -8.151099 -2.864726 1 1019 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 98.05 -8.758238 -6.9153156 -1.9758577 1 1020 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 96.09 -9.165518 -5.839156 -2.4630876 1 1021 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 96.48 -8.355475 -7.0190134 -0.78449035 1 1022 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 98.44 -5.379902 -11.269047 -2.0534892 1 1023 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 98.05 -4.713304 -12.403915 -1.4135544 1 1024 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 98.44 -3.4286013 -11.945681 -0.7198999 1 1025 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 98.44 -3.1511674 -12.337654 0.41765738 1 1026 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 98.05 -4.3953495 -13.482099 -2.4441638 1 1027 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 98.44 -2.6721265 -11.112351 -1.398025 1 1028 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 98.44 -1.4450455 -10.581126 -0.82743585 1 1029 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 98.83 -1.7358121 -9.686714 0.37670177 1 1030 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 98.44 -1.0730429 -9.792357 1.4083173 1 1031 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 98.44 -0.65317094 -9.809055 -1.8907418 1 1032 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 96.88 0.74323857 -9.324236 -1.492652 1 1033 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 95.7 1.6432602 -9.275057 -2.718395 1 1034 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 96.48 0.7122665 -7.983217 -0.79384327 1 1035 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 98.44 -2.738207 -8.81764 0.24031542 1 1036 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 98.44 -3.1127896 -7.920694 1.3247035 1 1037 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 98.44 -3.5496569 -8.703856 2.5599322 1 1038 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 98.05 -3.191555 -8.357908 3.685709 1 1039 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 98.44 -4.2247205 -6.97653 0.87294626 1 1040 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 98.05 -4.3072653 -9.766096 2.3411212 1 1041 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 98.05 -4.771436 -10.605642 3.4434361 1 1042 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 98.05 -3.5941865 -11.261898 4.169551 1 1043 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 97.27 -3.5719495 -11.317581 5.4013596 1 1044 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 97.66 -5.7584114 -11.659028 2.9292707 1 1045 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 98.05 -6.460392 -12.393421 4.0352154 1 1046 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 95.31 -7.107897 -13.599806 3.8345785 1 1047 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 95.7 -6.63323 -12.104474 5.3421416 1 1048 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 96.09 -7.6482205 -14.006397 4.9723473 1 1049 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 96.48 -7.359144 -13.118439 5.916808 1 1050 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 98.44 -2.6021457 -11.730284 3.4221463 1 1051 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 98.44 -1.4217746 -12.319662 4.037181 1 1052 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 98.44 -0.6912592 -11.287188 4.8890004 1 1053 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 98.05 -0.19915271 -11.605267 5.970673 1 1054 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 98.05 -0.46898168 -12.88486 2.9820528 1 1055 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 96.88 0.84305084 -13.368634 3.5946674 1 1056 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 97.27 1.8553491 -13.737101 2.5476313 1 1057 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 97.27 1.7302728 -15.114 2.117694 1 1058 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 97.27 2.5753174 -15.714349 1.2969134 1 1059 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 96.09 2.3852913 -16.979122 0.964772 1 1060 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 96.09 3.6259708 -15.061584 0.8188457 1 1061 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 98.44 -0.6228189 -10.07077 4.400761 1 1062 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 98.44 -0.0060829096 -8.988996 5.168096 1 1063 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 98.44 -0.7306442 -8.832289 6.5039444 1 1064 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 98.05 -0.0857172 -8.714893 7.552611 1 1065 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 98.05 -0.03875014 -7.6838017 4.369254 1 1066 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 98.83 0.3769891 -6.450969 5.123605 1 1067 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 98.44 -0.33100432 -5.2905197 5.2439723 1 1068 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 98.44 1.5898414 -6.239892 5.862827 1 1069 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 98.83 0.35655996 -4.378956 5.994502 1 1070 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 98.44 1.5457981 -4.9320354 6.392257 1 1071 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 98.44 2.710888 -7.031296 6.129308 1 1072 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 98.83 2.578446 -4.395984 7.173415 1 1073 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 98.44 3.745553 -6.499666 6.9075794 1 1074 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 98.44 3.6604989 -5.1964636 7.4124374 1 1075 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 98.44 -2.0546083 -8.842812 6.4791985 1 1076 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 98.05 -2.842753 -8.723076 7.7013946 1 1077 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 97.66 -2.605577 -9.862465 8.675928 1 1078 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 97.27 -2.4951386 -9.641595 9.885166 1 1079 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 98.44 -2.5313594 -11.08777 8.1659355 1 1080 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 98.05 -2.2728527 -12.262735 9.001375 1 1081 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 98.05 -0.92555755 -12.117315 9.704435 1 1082 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 96.48 -0.8166209 -12.344606 10.9073715 1 1083 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 98.05 -2.2788405 -13.558285 8.156597 1 1084 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 96.88 -3.6661854 -13.801331 7.561639 1 1085 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 96.48 -1.8418114 -14.749386 9.008896 1 1086 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 95.7 -3.681741 -14.884531 6.490632 1 1087 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 98.44 0.08373982 -11.724194 8.943539 1 1088 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 98.05 1.4213247 -11.557035 9.483681 1 1089 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 98.05 1.4775257 -10.50906 10.598315 1 1090 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 96.88 2.1512818 -10.713317 11.605206 1 1091 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 97.66 2.3907492 -11.186755 8.367426 1 1092 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 96.88 3.8012366 -10.942104 8.867462 1 1093 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 97.27 4.8312893 -11.079861 7.761181 1 1094 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 96.09 4.5389643 -11.592061 6.6738462 1 1095 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 95.7 6.043123 -10.626061 8.030891 1 1096 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 98.05 0.7816027 -9.400971 10.40798 1 1097 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 97.66 0.770504 -8.328689 11.41049 1 1098 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 96.48 -0.104662426 -8.660216 12.626336 1 1099 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 92.58 -0.01541795 -7.975492 13.652912 1 1100 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 97.66 0.29850844 -7.022678 10.786811 1 1101 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 97.27 1.2757969 -6.3899994 9.796688 1 1102 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 96.88 2.5052295 -5.7961187 10.489028 1 1103 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 97.66 2.1925683 -4.6644917 11.468492 1 1104 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 97.27 2.18746 -3.374824 10.794453 1 1105 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 97.27 -0.922583 -9.68449 12.5292425 1 1106 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 97.27 -1.8254523 -10.040673 13.61648 1 1107 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 96.88 -2.935904 -9.030062 13.816269 1 1108 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 94.14 -3.3792734 -8.819357 14.942419 1 1109 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 97.27 -3.3636217 -8.405697 12.720448 1 1110 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 96.88 -4.448201 -7.435317 12.785504 1 1111 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 96.09 -5.727131 -8.101299 13.243587 1 1112 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 92.97 -5.9590893 -9.278736 12.973329 1 1113 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 96.88 -4.679305 -6.7773533 11.410278 1 1114 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 97.66 -3.516282 -5.903224 10.972588 1 1115 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 94.53 -3.3552623 -5.620654 9.778145 1 1116 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 95.7 -2.695015 -5.453577 11.920126 1 1117 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 97.27 -6.5601716 -7.3370814 13.953634 1 1118 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 97.27 -7.820859 -7.8772345 14.468933 1 1119 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 97.66 -8.849003 -8.010149 13.3564 1 1120 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 96.48 -9.634125 -8.954834 13.343522 1 1121 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 96.88 -8.30574 -6.9854293 15.611215 1 1122 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 96.48 -9.763797 -6.676151 15.663994 1 1123 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 96.09 -10.086038 -5.9268837 16.940731 1 1124 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 96.09 -11.530594 -6.0263996 17.254452 1 1125 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 96.09 -12.089717 -7.0809736 17.861713 1 1126 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 94.92 -11.35243 -8.119108 18.214876 1 1127 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 94.92 -13.381311 -7.080517 18.10017 1 1128 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 96.88 -8.825617 -7.0848274 12.411544 1 1129 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 97.27 -9.72316 -7.136015 11.25614 1 1130 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 97.66 -8.98402 -7.590868 10.0053005 1 1131 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 96.88 -7.75543 -7.5600414 9.954374 1 1132 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 96.88 -10.368814 -5.7718797 11.012435 1 1133 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 96.88 -11.297283 -5.3158364 12.117428 1 1134 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 96.88 -12.26597 -4.244903 11.6131 1 1135 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 96.48 -13.36523 -4.8582945 10.775675 1 1136 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 95.7 -14.436618 -3.8802686 10.425753 1 1137 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 97.66 -9.727043 -7.9869223 8.99826 1 1138 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 98.05 -9.152181 -8.445227 7.740969 1 1139 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 98.05 -8.520011 -7.290389 6.965351 1 1140 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 97.66 -9.110422 -6.2107716 6.858076 1 1141 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 98.05 -10.218868 -9.119823 6.88139 1 1142 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 97.27 -9.6573515 -9.798616 5.64874 1 1143 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 97.27 -10.774065 -10.39092 4.798317 1 1144 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 96.88 -10.233061 -10.917006 3.4816456 1 1145 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 96.09 -11.312089 -11.421086 2.5934935 1 1146 +ATOM N N . MET C0 3 59 . 59 MET C0 N 98.05 -7.3149376 -7.539965 6.4340186 1 1147 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 98.05 -6.6117153 -6.536252 5.644758 1 1148 +ATOM C C . MET C0 3 59 . 59 MET C0 C 98.44 -7.086338 -6.6034036 4.1973343 1 1149 +ATOM O O . MET C0 3 59 . 59 MET C0 O 97.66 -7.2643294 -7.691798 3.6429496 1 1150 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 97.27 -5.0966167 -6.7669125 5.7113695 1 1151 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 96.48 -4.2600813 -5.8099136 4.8532305 1 1152 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 98.05 -4.4460692 -4.058214 5.2880735 1 1153 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 94.92 -3.8137405 -4.0591955 6.9748516 1 1154 +ATOM N N . THR C0 3 60 . 60 THR C0 N 98.05 -7.3132353 -5.44004 3.5935783 1 1155 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 98.05 -7.7322245 -5.341363 2.2016253 1 1156 +ATOM C C . THR C0 3 60 . 60 THR C0 C 98.05 -6.6672087 -4.592223 1.4119227 1 1157 +ATOM O O . THR C0 3 60 . 60 THR C0 O 98.05 -5.8309693 -3.8938513 1.9933543 1 1158 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 97.66 -9.061075 -4.5748806 2.053275 1 1159 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 96.88 -8.865709 -3.2315097 2.515203 1 1160 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 98.05 -10.169773 -5.2422676 2.8640676 1 1161 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 98.05 -6.697055 -4.7194247 0.08813752 1 1162 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 98.05 -5.7566843 -3.969277 -0.7312108 1 1163 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 98.05 -5.9386506 -2.4625235 -0.51366913 1 1164 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 97.27 -4.9643154 -1.7050071 -0.45456922 1 1165 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 97.27 -5.9010634 -4.296253 -2.222228 1 1166 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 98.44 -5.0130568 -3.3999405 -3.06332 1 1167 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 98.44 -5.533739 -2.2846804 -3.7232752 1 1168 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 98.44 -3.6439312 -3.6316013 -3.1431499 1 1169 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 98.05 -4.7067237 -1.4312037 -4.4455094 1 1170 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 98.44 -2.8137617 -2.783058 -3.8631096 1 1171 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 98.05 -3.3526216 -1.687603 -4.5051327 1 1172 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 98.05 -2.5342336 -0.83981836 -5.2163296 1 1173 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 98.05 -7.1857004 -2.0341682 -0.3736358 1 1174 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 98.05 -7.481084 -0.61935914 -0.18318376 1 1175 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 98.05 -6.7458906 -0.051139742 1.0371265 1 1176 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 97.66 -6.1487865 1.027749 0.9695601 1 1177 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 97.27 -8.981687 -0.4177617 -0.037541773 1 1178 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 95.7 -9.41228 1.040936 -0.12900236 1 1179 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 96.88 -10.915619 1.2023263 -0.11814347 1 1180 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 95.31 -11.535943 1.2433593 0.9479421 1 1181 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 95.7 -11.516361 1.2741189 -1.2973057 1 1182 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 98.05 -6.7950892 -0.77532476 2.165865 1 1183 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 97.66 -6.1115885 -0.33012882 3.376387 1 1184 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 97.66 -4.5955343 -0.42700404 3.242867 1 1185 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 97.27 -3.8662548 0.4235878 3.7568886 1 1186 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 98.05 -6.6046863 -1.1162552 4.594388 1 1187 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 97.66 -8.004921 -0.7058482 5.052695 1 1188 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 97.66 -8.392566 -1.3571632 6.384551 1 1189 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 97.66 -8.621038 -2.8626587 6.2403574 1 1190 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 97.27 -9.038761 -3.4612293 7.516013 1 1191 +ATOM N N . MET C0 3 64 . 64 MET C0 N 98.44 -4.1145053 -1.46458 2.5696828 1 1192 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 98.44 -2.680693 -1.6068234 2.3587337 1 1193 +ATOM C C . MET C0 3 64 . 64 MET C0 C 98.05 -2.1595063 -0.45164204 1.5022532 1 1194 +ATOM O O . MET C0 3 64 . 64 MET C0 O 97.66 -1.0945939 0.098599926 1.7722573 1 1195 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 97.66 -2.3499024 -2.9487667 1.7017767 1 1196 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 96.48 -0.85949975 -3.2809186 1.7587719 1 1197 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 97.66 -0.46368372 -4.9330606 1.1203163 1 1198 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 96.09 -0.8707845 -4.715635 -0.6053096 1 1199 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 98.44 -2.952545 -0.082166925 0.48124596 1 1200 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 98.05 -2.5845034 1.037252 -0.37929377 1 1201 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 98.05 -2.5719323 2.3502245 0.39309546 1 1202 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 97.66 -1.7347345 3.2199156 0.14415467 1 1203 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 98.05 -3.5400367 1.1304777 -1.5655955 1 1204 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 98.05 -3.5171938 2.502091 1.3399411 1 1205 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 97.66 -3.5452623 3.6805606 2.2000418 1 1206 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 97.66 -2.2200437 3.8001494 2.9733138 1 1207 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 96.09 -1.6461669 4.896812 3.0572925 1 1208 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 97.27 -4.747138 3.5970235 3.161541 1 1209 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 97.27 -4.7751446 4.6333885 4.301198 1 1210 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 97.27 -5.320031 5.9917088 3.857031 1 1211 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 97.27 -4.203756 6.89124 3.5746589 1 1212 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 97.66 -3.8588643 7.9061155 4.3290777 1 1213 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 96.88 -2.8156328 8.637833 3.999037 1 1214 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 96.48 -4.553447 8.187837 5.443251 1 1215 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 97.66 -1.7533976 2.6897125 3.5079732 1 1216 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 97.66 -0.48984802 2.665487 4.2364073 1 1217 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 98.05 0.68564606 2.9323921 3.2924712 1 1218 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 97.66 1.615114 3.67916 3.6273594 1 1219 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 97.27 -0.305862 1.3207977 4.9330044 1 1220 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 98.05 0.62221867 2.315436 2.1084943 1 1221 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 98.05 1.6445048 2.4861789 1.0842941 1 1222 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 98.44 1.78954 3.9501228 0.68026495 1 1223 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 97.66 2.8985095 4.4529195 0.5183923 1 1224 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 98.05 1.2645009 1.6406529 -0.12655458 1 1225 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 97.27 2.2063148 0.6416633 -0.79373425 1 1226 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 97.27 1.3625109 -0.46836233 -1.4079076 1 1227 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 97.27 3.2643175 0.10495809 0.12754403 1 1228 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 98.05 0.6405442 4.6265965 0.5381386 1 1229 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 98.05 0.6558486 6.040632 0.16050628 1 1230 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 97.27 1.4195154 6.897887 1.1620619 1 1231 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 95.31 2.0652683 7.8790455 0.78490406 1 1232 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 96.48 -0.76753545 6.582064 0.016728979 1 1233 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 95.7 -1.3253784 6.5093822 -1.379313 1 1234 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 97.27 -2.6039891 7.3330374 -1.5447984 1 1235 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 97.66 -3.6459665 7.062107 -0.5608346 1 1236 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 98.05 -4.5167103 6.0605307 -0.61763096 1 1237 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 97.66 -4.47661 5.189701 -1.6089209 1 1238 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 97.66 -5.4380283 5.927681 0.32624274 1 1239 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 97.66 1.3617742 6.529023 2.4411244 1 1240 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 97.27 2.0822372 7.27952 3.4692202 1 1241 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 97.27 3.5997238 7.2229815 3.2732 1 1242 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 96.48 4.3181167 8.121111 3.7137609 1 1243 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 96.88 1.707202 6.7843513 4.8741875 1 1244 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 97.27 0.29648155 7.1821756 5.280446 1 1245 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 95.31 -0.30820423 6.5684304 6.1660657 1 1246 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 95.7 -0.2431322 8.2110195 4.6432185 1 1247 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 98.05 4.086143 6.1665554 2.61479 1 1248 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 98.05 5.5079856 6.063393 2.3176026 1 1249 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 97.27 5.969781 7.1439257 1.332058 1 1250 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 94.92 7.1623735 7.4223413 1.2319908 1 1251 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 97.27 5.8575764 4.686494 1.7598159 1 1252 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 98.05 5.8805637 3.5780497 2.7783422 1 1253 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 98.05 5.2829127 2.3496747 2.506753 1 1254 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 98.44 6.541492 3.7305346 3.9926887 1 1255 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 98.05 5.3265414 1.3119683 3.420874 1 1256 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 98.44 6.585173 2.6977105 4.9197702 1 1257 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 98.05 5.981059 1.4924774 4.6240754 1 1258 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 98.05 6.0279512 0.46577147 5.5207644 1 1259 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 97.66 5.012811 7.743695 0.62913156 1 1260 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 97.66 5.3297215 8.853129 -0.25977212 1 1261 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 97.27 5.7939134 10.07954 0.5094181 1 1262 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 95.31 6.635541 10.841452 0.032195136 1 1263 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 97.66 5.2411795 10.2636385 1.7153778 1 1264 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 97.66 5.637411 11.378456 2.5748458 1 1265 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 97.27 6.9979687 11.129873 3.2221775 1 1266 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 95.31 7.7436943 12.076424 3.4834511 1 1267 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 97.66 4.6029534 11.628008 3.6619425 1 1268 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 97.27 3.2215471 12.022907 3.1537423 1 1269 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 97.66 3.1792557 13.428415 2.5539196 1 1270 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 96.88 3.510261 14.554472 3.5328376 1 1271 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 96.48 2.3736353 14.851622 4.4604583 1 1272 +ATOM N N . THR C0 3 74 . 74 THR C0 N 97.66 7.3120346 9.866505 3.4978526 1 1273 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 97.66 8.549511 9.50363 4.196051 1 1274 +ATOM C C . THR C0 3 74 . 74 THR C0 C 97.66 9.619289 8.918199 3.2719536 1 1275 +ATOM O O . THR C0 3 74 . 74 THR C0 O 95.7 10.744069 8.66895 3.7094488 1 1276 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 96.88 8.264629 8.50881 5.338508 1 1277 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 95.7 7.585006 7.369295 4.8169074 1 1278 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 95.7 7.388592 9.162138 6.411062 1 1279 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 96.88 9.27955 8.707896 1.9970316 1 1280 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 97.66 10.253366 8.387964 0.97212434 1 1281 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 98.05 10.660557 6.9391336 0.7549795 1 1282 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 96.88 11.56279 6.6770124 -0.044239003 1 1283 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 97.66 10.034178 5.966533 1.4299386 1 1284 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 97.66 10.411401 4.5631547 1.2534094 1 1285 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 98.05 9.847788 3.982137 -0.040627845 1 1286 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 97.27 10.508062 3.1658847 -0.7021272 1 1287 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 97.27 9.955418 3.7096121 2.4477768 1 1288 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 96.88 10.655759 4.0761585 3.7655437 1 1289 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 97.66 9.833041 5.0325913 4.6009817 1 1290 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 96.48 9.009927 5.8011127 4.0353203 1 1291 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 96.48 9.995161 5.0439215 5.8339214 1 1292 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 98.05 8.637571 4.35466 -0.39768183 1 1293 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 98.05 7.959242 3.9116352 -1.6078956 1 1294 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 98.05 7.197206 5.0891943 -2.1975594 1 1295 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 97.66 6.6271877 5.8877144 -1.4549222 1 1296 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 97.66 6.958447 2.7659216 -1.32161 1 1297 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 96.88 6.2154627 2.3574543 -2.5925279 1 1298 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 96.88 7.6730347 1.5549963 -0.72786605 1 1299 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 97.66 7.1902337 5.215567 -3.507516 1 1300 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 98.05 6.4270525 6.260935 -4.180894 1 1301 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 98.05 5.478201 5.6550856 -5.193205 1 1302 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 97.27 5.746581 4.5956407 -5.758583 1 1303 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 97.66 7.358386 7.2727537 -4.83568 1 1304 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 96.48 8.120998 8.095583 -3.8147662 1 1305 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 95.31 9.046148 9.09979 -4.462891 1 1306 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 96.09 9.794099 9.875149 -3.3895125 1 1307 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 94.92 10.706957 10.88696 -4.0029216 1 1308 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 98.05 4.360837 6.329562 -5.413375 1 1309 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 98.05 3.3849492 5.9095097 -6.4063272 1 1310 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 97.66 3.8974133 6.29679 -7.785183 1 1311 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 96.88 4.4281893 7.3920207 -7.9492474 1 1312 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 97.66 2.0477934 6.597793 -6.1358457 1 1313 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 96.88 0.8914055 6.1472654 -7.031364 1 1314 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 97.27 0.55801547 4.679619 -6.8396025 1 1315 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 97.27 -0.6752646 4.279776 -7.6540384 1 1316 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 96.48 -0.6024441 2.8776207 -8.087731 1 1317 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 98.05 3.795641 5.4010587 -8.795767 1 1318 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 97.66 4.091425 5.8126597 -10.161531 1 1319 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 97.27 2.7710047 5.937601 -10.909203 1 1320 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 96.09 1.7943625 5.281828 -10.568468 1 1321 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 96.88 5.1643963 4.933448 -10.879831 1 1322 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 96.09 5.854094 4.001529 -9.924955 1 1323 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 96.88 4.578293 4.200148 -12.078404 1 1324 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 97.66 2.7322984 6.829466 -11.897287 1 1325 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 97.66 1.4802136 7.159326 -12.578768 1 1326 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 97.27 1.0523918 6.063175 -13.540535 1 1327 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 95.7 0.9556191 6.2651935 -14.747187 1 1328 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 96.88 1.5960526 8.532541 -13.278968 1 1329 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 96.88 1.5637616 9.674025 -12.2863655 1 1330 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 96.09 2.465016 10.852495 -12.714359 1 1331 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 95.7 3.8861465 10.392201 -13.038412 1 1332 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 94.92 4.6190557 9.771529 -11.885495 1 1333 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 97.66 0.83220255 4.879847 -12.975503 1 1334 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 97.66 0.38163435 3.7219143 -13.722455 1 1335 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 97.66 -0.44538468 2.8684514 -12.7685375 1 1336 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 97.27 -0.1295729 2.7840395 -11.577032 1 1337 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 97.27 1.5783932 2.9363585 -14.27108 1 1338 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 97.27 1.2834605 2.1561565 -15.5251045 1 1339 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 96.88 2.545114 2.036649 -16.402187 1 1340 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 96.48 3.4309895 0.8787365 -15.988483 1 1341 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 95.31 2.7250385 -0.4341778 -16.11348 1 1342 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 97.27 -1.5084164 2.2697914 -13.277313 1 1343 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 98.05 -2.4374642 1.516416 -12.4619465 1 1344 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 98.05 -1.7447561 0.43209472 -11.6346245 1 1345 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 97.66 -1.0442863 -0.42484754 -12.186862 1 1346 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 97.66 -3.5109632 0.89033103 -13.35667 1 1347 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 96.88 -4.6968756 0.2860164 -12.62404 1 1348 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 96.88 -5.746007 -0.15082084 -13.638869 1 1349 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 96.88 -6.8705535 -0.93802273 -12.980468 1 1350 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 95.7 -7.840541 -1.4156696 -13.977335 1 1351 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 98.44 -1.9004633 0.50876534 -10.309519 1 1352 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 98.05 -1.3797623 -0.4782077 -9.366723 1 1353 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 98.44 0.14546554 -0.5781707 -9.336113 1 1354 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 98.05 0.67939967 -1.5674305 -8.826778 1 1355 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 98.05 -1.9863784 -1.8614266 -9.650459 1 1356 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 98.05 -3.5137825 -1.9426135 -9.460784 1 1357 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 97.27 -4.070957 -3.1604161 -10.178277 1 1358 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 98.05 -3.8514032 -2.0059967 -7.9680676 1 1359 +ATOM N N . THR C0 3 85 . 85 THR C0 N 98.44 0.8573365 0.4212765 -9.832897 1 1360 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 98.44 2.3045216 0.31474105 -9.815554 1 1361 +ATOM C C . THR C0 3 85 . 85 THR C0 C 98.44 2.969988 1.338854 -8.876648 1 1362 +ATOM O O . THR C0 3 85 . 85 THR C0 O 97.66 2.5535588 2.4977148 -8.776339 1 1363 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 97.66 2.9479847 0.22154066 -11.237868 1 1364 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 94.53 3.865527 1.2822032 -11.451733 1 1365 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 95.7 1.9252506 0.13669124 -12.325237 1 1366 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 98.05 3.9687104 0.85331625 -8.136456 1 1367 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 98.05 4.6942673 1.5991104 -7.1241164 1 1368 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 98.05 6.1868215 1.4566326 -7.358333 1 1369 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 97.27 6.620038 0.68493545 -8.218586 1 1370 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 97.66 4.3315773 1.099711 -5.7232084 1 1371 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 98.44 2.93579 1.4762852 -5.276103 1 1372 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 98.05 1.8212724 0.7691393 -5.7179646 1 1373 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 98.44 2.72371 2.5429385 -4.409872 1 1374 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 98.05 0.5373408 1.1156926 -5.3153553 1 1375 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 98.44 1.4463356 2.8980744 -3.996121 1 1376 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 98.05 0.36074954 2.181168 -4.454738 1 1377 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 97.66 -0.9048721 2.533409 -4.053629 1 1378 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 98.44 6.989149 2.1902192 -6.5866604 1 1379 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 98.44 8.433109 2.1668751 -6.7773495 1 1380 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 98.44 9.188347 2.3009467 -5.45778 1 1381 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 97.66 8.965418 3.251308 -4.703569 1 1382 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 98.05 8.8494835 3.2748184 -7.7384443 1 1383 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 97.27 10.318077 3.2589612 -8.097696 1 1384 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 98.05 10.678474 4.353326 -9.083766 1 1385 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 96.48 9.874468 5.242263 -9.372523 1 1386 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 95.7 11.888861 4.296091 -9.619517 1 1387 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 98.44 10.101683 1.3531001 -5.177795 1 1388 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 98.05 10.959658 1.4181964 -3.9985042 1 1389 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 97.66 12.027969 2.4953485 -4.1798263 1 1390 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 96.48 12.51486 2.7067394 -5.294548 1 1391 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 98.05 11.672999 0.0810226 -3.770125 1 1392 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 98.44 10.793136 -1.0221637 -3.275699 1 1393 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 98.44 10.549086 -2.1351643 -4.071546 1 1394 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 98.44 10.225468 -0.956095 -2.0161097 1 1395 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 98.44 9.742368 -3.1732554 -3.6137142 1 1396 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 98.44 9.418819 -1.9930663 -1.546964 1 1397 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 98.44 9.178316 -3.0972207 -2.3470469 1 1398 +ATOM N N . SER C0 3 89 . 89 SER C0 N 98.05 12.383062 3.1587634 -3.091385 1 1399 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 97.66 13.488425 4.1100674 -3.1197357 1 1400 +ATOM C C . SER C0 3 89 . 89 SER C0 C 96.88 14.810755 3.3587022 -3.1746128 1 1401 +ATOM O O . SER C0 3 89 . 89 SER C0 O 92.97 14.872097 2.164704 -2.8651795 1 1402 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 97.27 13.461859 5.0010433 -1.8784112 1 1403 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 95.7 13.809382 4.248992 -0.72149974 1 1404 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 96.48 15.867503 4.066312 -3.5889826 1 1405 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 96.48 17.18978 3.4720278 -3.5949605 1 1406 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 96.48 17.613403 3.029983 -2.2081006 1 1407 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 94.53 18.287086 2.0147548 -2.0560465 1 1408 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 96.48 17.211613 3.7726312 -1.195176 1 1409 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 96.48 17.522625 3.4320445 0.19157001 1 1410 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 96.48 16.963413 2.0600317 0.5606845 1 1411 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 94.92 17.664875 1.2363651 1.154763 1 1412 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 94.92 16.961338 4.4928603 1.1443412 1 1413 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 95.31 17.054142 4.1316814 2.6190438 1 1414 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 94.92 16.42543 5.177473 3.5187705 1 1415 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 93.75 17.147957 6.092066 3.980098 1 1416 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 93.36 15.209509 5.1067786 3.7605307 1 1417 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 97.27 15.705561 1.8293748 0.22671902 1 1418 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 96.88 15.045437 0.56355476 0.5164917 1 1419 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 95.7 15.701784 -0.588608 -0.24476562 1 1420 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 91.8 15.76609 -1.7127187 0.24436371 1 1421 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 96.48 13.533754 0.641349 0.1931631 1 1422 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 95.7 12.901585 -0.7416579 0.13503411 1 1423 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 96.09 12.831832 1.5112385 1.2273115 1 1424 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 97.66 16.217308 -0.30491567 -1.4398754 1 1425 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 96.48 16.875198 -1.3031622 -2.2798915 1 1426 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 93.36 18.31718 -1.594683 -1.8592241 1 1427 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 86.72 18.957075 -2.4865718 -2.4202042 1 1428 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 96.48 16.85845 -0.8570654 -3.748814 1 1429 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 96.88 15.496391 -0.82304484 -4.4381704 1 1430 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 96.09 15.602354 -0.12817001 -5.7934666 1 1431 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 96.09 14.93712 -2.2295392 -4.599901 1 1432 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 94.53 18.825098 -0.8674362 -0.89871854 1 1433 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 94.14 20.187702 -1.0588604 -0.42363828 1 1434 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 93.36 21.241169 -0.5240365 -1.3695138 1 1435 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 88.67 22.281925 -1.158659 -1.5561223 1 1436 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 92.97 20.95311 0.6245584 -1.9661067 1 1437 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 92.19 21.864698 1.2379397 -2.9378128 1 1438 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 90.23 22.38884 2.6063337 -2.470553 1 1439 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 85.55 22.7513 3.446242 -3.3016605 1 1440 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 90.62 21.18169 1.4026377 -4.283094 1 1441 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 90.62 21.37616 0.18500948 -5.1591687 1 1442 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 90.62 20.882496 0.35885438 -6.582189 1 1443 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 90.23 19.433655 0.48089868 -6.6992817 1 1444 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 89.84 18.831266 1.4733285 -7.3651996 1 1445 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 89.06 17.510939 1.4964435 -7.4318614 1 1446 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 88.67 19.545593 2.4205256 -7.941475 1 1447 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 91.41 22.43575 2.8263092 -1.1723696 1 1448 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 91.02 22.958965 4.072448 -0.63238376 1 1449 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 91.02 24.442072 4.218766 -0.949156 1 1450 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 87.11 25.206005 3.2699533 -0.8259207 1 1451 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 90.62 24.806332 5.3982263 -1.3671783 1 1452 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 90.62 26.207203 5.6539197 -1.6895448 1 1453 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 90.23 26.498833 5.6943417 -3.1756754 1 1454 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 86.33 27.523045 6.2486854 -3.604587 1 1455 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 92.19 25.619991 5.085741 -3.982123 1 1456 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 92.58 25.79222 5.0832744 -5.435347 1 1457 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 92.58 25.77975 6.4975753 -5.987988 1 1458 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 90.62 26.57621 6.8417163 -6.8660593 1 1459 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 91.02 24.696228 4.2401915 -6.09708 1 1460 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 91.02 24.849495 3.971136 -7.6013412 1 1461 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 89.84 23.637451 3.1939223 -8.119202 1 1462 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 89.06 26.142586 3.2119136 -7.9066315 1 1463 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 88.67 24.888386 7.3269114 -5.467453 1 1464 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 89.45 24.79411 8.7273 -5.874945 1 1465 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 90.23 26.030083 9.525408 -5.4507294 1 1466 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 87.5 26.4455 10.459476 -6.140038 1 1467 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 87.11 23.535992 9.36717 -5.2987285 1 1468 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 92.19 26.623024 9.118261 -4.309124 1 1469 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 91.8 27.804626 9.788993 -3.7843676 1 1470 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 91.02 29.029968 9.617915 -4.6911 1 1471 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 87.89 29.896812 10.496172 -4.754359 1 1472 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 90.62 28.140915 9.263947 -2.385347 1 1473 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 91.02 27.071304 9.517606 -1.3410654 1 1474 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 89.84 27.383492 8.811073 -0.03111193 1 1475 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 88.28 26.456015 8.332691 0.627795 1 1476 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 87.5 28.577032 8.713127 0.32349572 1 1477 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 91.41 29.096148 8.451877 -5.3655944 1 1478 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 91.41 30.266228 8.122798 -6.1859026 1 1479 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 91.8 30.278318 8.843115 -7.529359 1 1480 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 89.06 31.29272 8.790493 -8.237144 1 1481 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 89.45 30.342602 6.6108866 -6.4080486 1 1482 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 89.45 30.638992 5.8238993 -5.12756 1 1483 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 87.89 31.012249 4.3757253 -5.4340878 1 1484 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 85.94 29.873867 3.5977294 -5.935374 1 1485 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 83.98 28.97128 2.9978313 -5.1537924 1 1486 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 82.81 29.051483 3.0953107 -3.833745 1 1487 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 82.81 27.972416 2.2967658 -5.6957192 1 1488 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 90.62 29.177979 9.542796 -7.9007607 1 1489 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 90.62 29.07156 10.189781 -9.206967 1 1490 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 90.62 29.651798 11.598554 -9.235802 1 1491 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 88.28 29.544224 12.341864 -8.261042 1 1492 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 89.84 27.598263 10.226212 -9.668347 1 1493 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 90.23 27.060276 8.867116 -10.03368 1 1494 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 89.84 25.564194 8.895485 -10.266373 1 1495 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 89.06 25.041042 7.534972 -10.391119 1 1496 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 88.28 23.903568 7.137435 -9.8763275 1 1497 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 87.5 23.499748 5.8837085 -10.012959 1 1498 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 87.11 23.139353 7.989139 -9.2126665 1 1499 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 92.58 30.272552 11.992561 -10.38418 1 1500 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 91.8 30.874039 13.316814 -10.605301 1 1501 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 91.41 30.314728 13.909447 -11.876868 1 1502 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 87.89 30.136843 13.168177 -12.870906 1 1503 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 91.02 32.407806 13.213039 -10.701102 1 1504 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 92.58 33.04943 12.512768 -9.524842 1 1505 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 91.02 32.90022 12.930315 -8.217714 1 1506 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 90.62 33.837894 11.421485 -9.531037 1 1507 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 89.45 33.56019 12.174176 -7.3975186 1 1508 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 89.45 34.180336 11.159586 -8.211037 1 1509 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 92.19 30.08565 15.209713 -11.900021 1 1510 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 92.58 30.120638 16.116077 -10.729147 1 1511 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 93.36 28.715193 16.291107 -10.197556 1 1512 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 91.41 28.178402 15.326506 -9.662832 1 1513 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 91.41 30.662947 17.423252 -11.288507 1 1514 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 91.41 30.509647 17.327879 -12.788363 1 1515 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 91.8 29.924347 16.005482 -13.124451 1 1516 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 90.62 28.03609 17.43341 -10.3042755 1 1517 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 91.41 26.58744 17.563095 -10.108552 1 1518 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 92.58 25.892517 17.250801 -11.426029 1 1519 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 90.23 26.501762 16.629574 -12.297188 1 1520 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 90.23 26.415989 19.043203 -9.720737 1 1521 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 90.23 27.565392 19.746899 -10.366558 1 1522 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 91.02 28.689886 18.755295 -10.417072 1 1523 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 91.02 24.625586 17.656979 -11.608875 1 1524 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 91.41 23.906519 17.40134 -12.847979 1 1525 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 91.41 24.683662 17.810942 -14.0846195 1 1526 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 89.06 25.408806 18.804806 -14.100649 1 1527 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 89.45 22.549694 18.099472 -12.836031 1 1528 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 90.23 21.453354 17.242756 -12.238649 1 1529 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 89.06 21.698421 15.973753 -11.783937 1 1530 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 87.89 20.144123 17.497597 -12.0347 1 1531 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 86.33 20.583855 15.453444 -11.299652 1 1532 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 86.33 19.605556 16.37001 -11.444581 1 1533 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 86.33 24.526367 17.073912 -15.075869 1 1534 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_2_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_2_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..e996f5ee527b2a7f72baca6f43eb107e888f3573 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_2_postprocessed.cif @@ -0,0 +1,1869 @@ +data_8e3r-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 0 -25.269085 13.243528 -14.360256 1 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 0 -24.912695 13.122034 -15.708777 1 2 1 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 0 -23.666912 12.885642 -16.363422 1 3 1 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 0 -25.437195 14.637484 -16.14795 1 4 1 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 0 -26.087063 12.069019 -16.397938 1 5 1 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 0 -25.318918 11.306567 -17.141365 1 6 1 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 0 -25.405636 9.813446 -16.843021 1 7 1 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 0 -24.230803 9.245235 -17.496874 1 8 1 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 0 -25.323156 9.326496 -15.381449 1 9 1 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 0 -25.995073 8.06539 -15.241815 1 10 1 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 0 -23.82656 9.168063 -15.178913 1 11 1 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 0 -23.345406 8.696823 -16.530806 1 12 1 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 0 -21.986155 9.136619 -16.858461 1 13 1 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 0 -21.487535 10.403098 -16.835365 1 14 1 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 0 -20.234068 10.497781 -17.208807 1 15 1 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 0 -19.876648 9.200645 -17.515533 1 16 1 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 0 -18.684467 8.631086 -17.974731 1 17 1 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 0 -17.574642 9.339191 -18.21716 1 18 1 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 0 -18.682667 7.2925076 -18.17897 1 19 1 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 0 -19.805382 6.5824904 -17.935709 1 20 1 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 0 -20.992619 7.015316 -17.49493 1 21 1 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 0 -20.95581 8.345409 -17.303926 1 22 1 +ATOM P P . DA A0 1 2 . 2 DA A0 P 0 -26.355549 7.3594093 -13.87829 1 23 1 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 0 -26.105398 8.329275 -12.791838 1 24 1 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 0 -27.685114 6.711351 -14.01814 1 25 1 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 0 -25.245043 6.219392 -13.786245 1 26 1 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 0 -25.214355 5.1811824 -14.750215 1 27 1 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 0 -24.070011 4.2392473 -14.480368 1 28 1 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 0 -22.824886 4.8372645 -14.93112 1 29 1 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 0 -23.875237 3.8732738 -13.015931 1 30 1 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 0 -23.691029 2.4602156 -12.923704 1 31 1 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 0 -22.631035 4.6601872 -12.603745 1 32 1 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 0 -21.854357 4.7475104 -13.912541 1 33 1 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 0 -20.984535 5.91615 -14.061125 1 34 1 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 0 -21.282011 7.2222905 -13.771179 1 35 1 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 0 -20.309792 8.061773 -14.027355 1 36 1 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 0 -19.297447 7.253854 -14.532384 1 37 1 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 0 -18.002653 7.541679 -14.998856 1 38 1 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 0 -17.492958 8.781794 -15.034077 1 39 1 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 0 -17.248276 6.514125 -15.432844 1 40 1 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 0 -17.77302 5.2831726 -15.397916 1 41 1 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 0 -18.979664 4.8863506 -14.983327 1 42 1 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 0 -19.698404 5.9292336 -14.559896 1 43 1 +ATOM P P . DT A0 1 3 . 3 DT A0 P 0 -23.541378 1.7317709 -11.475989 1 44 1 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 0 -23.80256 2.7144446 -10.398624 1 45 1 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 0 -24.320755 0.4621336 -11.546273 1 46 1 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 0 -21.993011 1.3725169 -11.452141 1 47 1 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 0 -21.348469 1.0329385 -12.663034 1 48 1 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 0 -19.864737 0.8605085 -12.431084 1 49 1 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 0 -19.165186 2.1071362 -12.704597 1 50 1 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 0 -19.471004 0.46180883 -11.016245 1 51 1 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 0 -18.452084 -0.52173615 -11.114333 1 52 1 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 0 -18.94631 1.7581319 -10.404087 1 53 1 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 0 -18.31335 2.404831 -11.619802 1 54 1 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 0 -18.139536 3.8784032 -11.589596 1 55 1 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 0 -16.988474 4.391119 -12.147176 1 56 1 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 0 -16.117342 3.6976464 -12.649617 1 57 1 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 0 -16.883034 5.756246 -12.105726 1 58 1 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 0 -17.796036 6.641152 -11.570063 1 59 1 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 0 -17.589943 7.8527927 -11.599189 1 60 1 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 0 -18.984333 6.0329027 -10.997513 1 61 1 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 0 -20.03412 6.915086 -10.386852 1 62 1 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 0 -19.096273 4.7009945 -11.040028 1 63 1 +ATOM P P . DA A0 1 4 . 4 DA A0 P 0 -17.898403 -1.2914073 -9.857307 1 64 1 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 0 -18.272984 -0.55951786 -8.622358 1 65 1 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 0 -18.271162 -2.7191942 -10.023742 1 66 1 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 0 -16.3224 -1.1693394 -10.038649 1 67 1 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 0 -15.776938 -0.7642918 -11.281206 1 68 1 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 0 -14.356357 -0.29712647 -11.086651 1 69 1 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 0 -14.29797 1.1611537 -11.047215 1 70 1 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 0 -13.710347 -0.76892656 -9.800777 1 71 1 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 0 -12.341569 -1.0048717 -10.082338 1 72 1 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 0 -13.910334 0.4174534 -8.85055 1 73 1 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 0 -13.761215 1.5887078 -9.8107605 1 74 1 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 0 -14.457022 2.8243442 -9.456337 1 75 1 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 0 -15.689945 2.9649723 -8.880198 1 76 1 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 0 -16.06245 4.2114205 -8.7209 1 77 1 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 0 -15.004496 4.9458046 -9.236638 1 78 1 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 0 -14.781605 6.329376 -9.365734 1 79 1 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 0 -15.655646 7.259861 -8.973555 1 80 1 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 0 -13.613479 6.726703 -9.921591 1 81 1 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 0 -12.742652 5.790241 -10.315805 1 82 1 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 0 -12.839684 4.4573975 -10.248259 1 83 1 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 0 -14.008216 4.099429 -9.692875 1 84 1 +ATOM P P . DA A0 1 5 . 5 DA A0 P 0 -11.375795 -1.5740651 -8.983598 1 85 1 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 0 -12.00333 -1.5790229 -7.639492 1 86 1 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 0 -10.808649 -2.8222477 -9.5555935 1 87 1 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 0 -10.235862 -0.46756387 -8.979511 1 88 1 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 0 -9.922117 0.20986569 -10.179783 1 89 1 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 0 -9.045696 1.4061415 -9.897518 1 90 1 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 0 -9.8592205 2.5428689 -9.516043 1 91 1 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 0 -8.028475 1.2107596 -8.779368 1 92 1 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 0 -6.814822 1.7927188 -9.218048 1 93 1 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 0 -8.655557 1.9438989 -7.590404 1 94 1 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 0 -9.419683 3.0632424 -8.28146 1 95 1 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 0 -10.614172 3.5733306 -7.609963 1 96 1 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 0 -11.615204 2.8573704 -7.0140753 1 97 1 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 0 -12.585077 3.5993862 -6.533 1 98 1 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 0 -12.196108 4.8966885 -6.839342 1 99 1 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 0 -12.794816 6.145074 -6.6041107 1 100 1 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 0 -13.964512 6.299116 -5.9789934 1 101 1 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 0 -12.135479 7.2460747 -7.036426 1 102 1 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 0 -10.964418 7.089779 -7.663744 1 103 1 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 0 -10.299704 5.965935 -7.9490757 1 104 1 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 0 -10.981623 4.8943815 -7.5031767 1 105 1 +ATOM P P . DA A0 1 6 . 6 DA A0 P 0 -5.4947333 1.7750561 -8.345659 1 106 1 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 0 -5.6375623 0.82658637 -7.213276 1 107 1 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 0 -4.3613157 1.6449009 -9.296661 1 108 1 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 0 -5.4819946 3.2483807 -7.7594395 1 109 1 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 0 -5.6018276 4.3426046 -8.646048 1 110 1 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 0 -5.670509 5.6433535 -7.8926754 1 111 1 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 0 -7.001563 5.823654 -7.355163 1 112 1 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 0 -4.7081656 5.757742 -6.7104774 1 113 1 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 0 -3.988383 6.9746075 -6.8391104 1 114 1 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 0 -5.6264668 5.754863 -5.4853425 1 115 1 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 0 -6.912846 6.328966 -6.0489798 1 116 1 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 0 -8.151501 5.960652 -5.3617554 1 117 1 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 0 -8.587688 4.700774 -5.038649 1 118 1 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 0 -9.75182 4.677553 -4.4320984 1 119 1 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 0 -10.113535 6.0176406 -4.3552923 1 120 1 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 0 -11.242971 6.6603537 -3.8252342 1 121 1 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 0 -12.25499 6.019041 -3.2477856 1 122 1 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 0 -11.290777 8.004436 -3.9052515 1 123 1 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 0 -10.273016 8.65012 -4.4835305 1 124 1 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 0 -9.154858 8.152954 -5.0242395 1 125 1 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 0 -9.135649 6.8156657 -4.923382 1 126 1 +ATOM P P . DA A0 1 7 . 7 DA A0 P 0 -2.807714 7.3343315 -5.818987 1 127 1 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 0 -2.4880219 6.18051 -4.9475474 1 128 1 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 0 -1.7489517 7.97955 -6.6382165 1 129 1 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 0 -3.480587 8.454887 -4.9121237 1 130 1 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 0 -4.0983353 9.560175 -5.533871 1 131 1 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 0 -4.886388 10.364006 -4.5360136 1 132 1 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 0 -6.0733576 9.642593 -4.1377325 1 133 1 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 0 -4.135799 10.700933 -3.2411084 1 134 1 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 0 -4.15551 12.109382 -3.0655856 1 135 1 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 0 -4.927575 9.984559 -2.150604 1 136 1 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 0 -6.305342 9.862767 -2.7716756 1 137 1 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 0 -7.1310644 8.760296 -2.2826443 1 138 1 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 0 -6.8453016 7.419078 -2.3148823 1 139 1 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 0 -7.788388 6.663249 -1.8082618 1 140 1 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 0 -8.7729 7.5666494 -1.421471 1 141 1 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 0 -10.02882 7.394563 -0.81921136 1 142 1 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 0 -10.535077 6.2101774 -0.48848504 1 143 1 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 0 -10.753569 8.50437 -0.56084704 1 144 1 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 0 -10.246911 9.698377 -0.8894198 1 145 1 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 0 -9.074442 9.985891 -1.4675164 1 146 1 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 0 -8.374834 8.861369 -1.7057672 1 147 1 +ATOM P P . DG A0 1 8 . 8 DG A0 P 0 -3.1636667 12.821802 -2.058763 1 148 1 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 0 -2.1501713 11.862709 -1.582686 1 149 1 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 0 -2.7410755 14.098728 -2.710178 1 150 1 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 0 -4.1264234 13.1734085 -0.84167707 1 151 1 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 0 -5.4490943 13.507811 -1.143469 1 152 1 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 0 -6.304205 13.714496 0.0798013 1 153 1 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 0 -7.1239166 12.534288 0.28366035 1 154 1 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 0 -5.567545 13.952018 1.4030502 1 155 1 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 0 -6.23038 14.993967 2.0988126 1 156 1 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 0 -5.7171555 12.620145 2.1346738 1 157 1 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 0 -7.061544 12.1543865 1.6289163 1 158 1 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 0 -7.263479 10.713505 1.6740367 1 159 1 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 0 -6.4005423 9.721199 1.2644279 1 160 1 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 0 -6.876922 8.527912 1.4411016 1 161 1 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 0 -8.136078 8.733852 1.9919895 1 162 1 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 0 -9.122791 7.8102894 2.4000216 1 163 1 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 0 -9.074087 6.570113 2.3424864 1 164 1 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 0 -10.25434 8.445124 2.9110293 1 165 1 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 0 -10.407323 9.804255 3.015794 1 166 1 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 0 -11.572868 10.231581 3.533451 1 167 1 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 0 -9.495095 10.685857 2.6357641 1 168 1 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 0 -8.388292 10.080526 2.1426406 1 169 1 +ATOM P P . DG A0 1 9 . 9 DG A0 P 0 -5.5270247 15.771807 3.2767987 1 170 1 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 0 -4.285985 15.10396 3.7252536 1 171 1 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 0 -5.5063577 17.196836 2.8554482 1 172 1 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 0 -6.610804 15.616985 4.422861 1 173 1 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 0 -7.9540834 15.899475 4.115257 1 174 1 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 0 -8.848785 15.4857025 5.265088 1 175 1 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 0 -9.107388 14.067703 5.2138233 1 176 1 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 0 -8.262451 15.745251 6.6480365 1 177 1 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 0 -9.330835 16.124416 7.496975 1 178 1 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 0 -7.67637 14.383451 7.0377617 1 179 1 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 0 -8.690451 13.45114 6.412258 1 180 1 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 0 -8.230551 12.109275 6.0584307 1 181 1 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 0 -7.088149 11.753987 5.3941956 1 182 1 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 0 -6.984442 10.470655 5.194436 1 183 1 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 0 -8.138153 9.940435 5.754193 1 184 1 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 0 -8.585871 8.594566 5.844868 1 185 1 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 0 -8.042824 7.571029 5.422471 1 186 1 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 0 -9.812538 8.502649 6.504042 1 187 1 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 0 -10.51993 9.575292 7.0120625 1 188 1 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 0 -11.67942 9.289164 7.614699 1 189 1 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 0 -10.103149 10.834946 6.9260435 1 190 1 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 0 -8.911711 10.94235 6.292887 1 191 1 +ATOM P P . DA A0 1 10 . 10 DA A0 P 0 -9.08452 16.870214 8.882778 1 192 1 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 0 -7.6688643 17.29037 8.998688 1 193 1 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 0 -10.185318 17.873154 8.974185 1 194 1 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 0 -9.364899 15.744843 9.959824 1 195 1 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 0 -10.622945 15.111153 9.933591 1 196 1 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 0 -10.591242 13.861908 10.774167 1 197 1 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 0 -9.9981785 12.770709 10.025915 1 198 1 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 0 -9.77714 13.978384 12.076618 1 199 1 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 0 -10.567972 13.486414 13.138882 1 200 1 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 0 -8.568332 13.0767145 11.816111 1 201 1 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 0 -9.197044 12.036226 10.909611 1 202 1 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 0 -8.284082 11.202691 10.137807 1 203 1 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 0 -7.1323414 11.555559 9.478604 1 204 1 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 0 -6.521221 10.553991 8.887796 1 205 1 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 0 -7.3361006 9.461873 9.173447 1 206 1 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 0 -7.24849 8.098201 8.838915 1 207 1 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 0 -6.255563 7.5724688 8.108268 1 208 1 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 0 -8.217901 7.273475 9.274078 1 209 1 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 0 -9.213649 7.798663 10.009369 1 210 1 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 0 -9.403229 9.0666275 10.392994 1 211 1 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 0 -8.416612 9.858147 9.936964 1 212 1 +ATOM P P . DA A0 1 11 . 11 DA A0 P 0 -10.378853 13.959692 14.629343 1 213 1 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 0 -8.9867115 14.436648 14.815693 1 214 1 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 0 -11.535351 14.850592 14.942432 1 215 1 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 0 -10.571096 12.61056 15.443011 1 216 1 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 0 -11.574395 11.708241 15.013254 1 217 1 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 0 -11.110098 10.286697 15.208111 1 218 1 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 0 -10.169561 9.9087925 14.179253 1 219 1 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 0 -10.4119835 10.019369 16.54787 1 220 1 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 0 -11.041244 8.907137 17.156517 1 221 1 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 0 -8.968294 9.721596 16.14695 1 222 1 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 0 -9.169561 9.12077 14.766537 1 223 1 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 0 -8.003216 9.0998535 13.899094 1 224 1 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 0 -7.1593494 10.126529 13.578281 1 225 1 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 0 -6.1773996 9.775227 12.779365 1 226 1 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 0 -6.4020586 8.420038 12.558458 1 227 1 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 0 -5.711992 7.45837 11.798416 1 228 1 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 0 -4.611065 7.7201877 11.089973 1 229 1 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 0 -6.195045 6.1991997 11.790492 1 230 1 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 0 -7.2972655 5.9343195 12.504305 1 231 1 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 0 -8.029047 6.7573476 13.254697 1 232 1 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 0 -7.5227284 7.9999638 13.2393055 1 233 1 +ATOM P P . DG A0 1 12 . 12 DG A0 P 0 -10.5969715 8.337872 18.563 1 234 1 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 0 -9.448341 9.137888 19.05739 1 235 1 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 0 -11.820566 8.191111 19.38797 1 236 1 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 0 -10.072277 6.887748 18.19454 1 237 1 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 0 -10.796587 6.0786285 17.280869 1 238 1 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 0 -10.103674 4.742523 17.113907 1 239 1 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 0 -9.019804 4.8600144 16.151466 1 240 1 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 0 -9.482538 4.216124 18.398739 1 241 1 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 0 -9.735553 2.8223596 18.493805 1 242 1 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 0 -7.9985237 4.525205 18.236023 1 243 1 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 0 -7.809251 4.4191475 16.736687 1 244 1 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 0 -6.729357 5.235435 16.183472 1 245 1 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 0 -6.5502167 6.587887 16.319008 1 246 1 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 0 -5.5002604 7.0364137 15.694666 1 247 1 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 0 -4.952412 5.908032 15.096077 1 248 1 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 0 -3.802361 5.7664666 14.284187 1 249 1 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 0 -3.0119953 6.6416407 13.907261 1 250 1 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 0 -3.6001987 4.4441595 13.895546 1 251 1 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 0 -4.4129143 3.3916907 14.2422495 1 252 1 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 0 -4.057521 2.1862464 13.770387 1 253 1 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 0 -5.495494 3.5123153 15.000148 1 254 1 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 0 -5.70242 4.792468 15.387093 1 255 1 +ATOM P P . DT A0 1 13 . 13 DT A0 P 0 -9.257893 2.0389867 19.793507 1 256 1 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 0 -8.784769 3.0098443 20.814604 1 257 1 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 0 -10.310978 1.0548478 20.133018 1 258 1 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 0 -7.980666 1.261749 19.260998 1 259 1 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 0 -8.005917 0.6900965 17.969597 1 260 1 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 0 -6.786909 -0.19319439 17.778542 1 261 1 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 0 -5.7126007 0.57983065 17.189434 1 262 1 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 0 -6.23805 -0.772699 19.07574 1 263 1 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 0 -5.943118 -2.1346965 18.8494 1 264 1 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 0 -4.9968157 0.07287145 19.369768 1 265 1 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 0 -4.5432673 0.47201464 17.976105 1 266 1 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 0 -3.8385038 1.7769344 17.847551 1 267 1 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 0 -2.6949058 1.8321692 17.082272 1 268 1 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 0 -2.2049518 0.85592294 16.541824 1 269 1 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 0 -2.13561 3.0741858 16.963028 1 270 1 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 0 -2.5983176 4.242738 17.525309 1 271 1 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 0 -2.0174637 5.308858 17.341911 1 272 1 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 0 -3.8006136 4.115412 18.32351 1 273 1 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 0 -4.378628 5.329273 18.98498 1 274 1 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 0 -4.357133 2.9058251 18.438364 1 275 1 +ATOM P P . DG A0 1 14 . 14 DG A0 P 0 -5.5447283 -3.0988069 20.046263 1 276 1 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 0 -5.863946 -2.4127474 21.322784 1 277 1 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 0 -6.084979 -4.4465933 19.74596 1 278 1 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 0 -3.973631 -3.156575 19.892883 1 279 1 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 0 -3.4340785 -3.589082 18.662025 1 280 1 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 0 -1.9246911 -3.6151958 18.75793 1 281 1 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 0 -1.3979726 -2.2727795 18.615723 1 282 1 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 0 -1.4121948 -4.126218 20.097546 1 283 1 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 0 -0.27191132 -4.9083014 19.83047 1 284 1 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 0 -1.077051 -2.8451385 20.857906 1 285 1 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 0 -0.59320235 -1.9606915 19.731615 1 286 1 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 0 -0.7019553 -0.5230328 19.923876 1 287 1 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 0 -1.609983 0.1791469 20.677948 1 288 1 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 0 -1.4515232 1.4659445 20.616817 1 289 1 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 0 -0.37298155 1.6346772 19.760983 1 290 1 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 0 0.26292455 2.8126564 19.309967 1 291 1 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 0 -0.008684161 3.9913378 19.571686 1 292 1 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 0 1.3191633 2.5353088 18.450161 1 293 1 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 0 1.7116463 1.2733278 18.070023 1 294 1 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 0 2.7493787 1.1973736 17.235458 1 295 1 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 0 1.1206617 0.160806 18.487165 1 296 1 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 0 0.094773784 0.41538745 19.326927 1 297 1 +ATOM P P . DG A0 1 15 . 15 DG A0 P 0 0.4376516 -5.762864 20.91763 1 298 1 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 0 0.051135957 -5.262064 22.260628 1 299 1 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 0 0.24596061 -7.1946707 20.568012 1 300 1 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 0 1.9588413 -5.4049234 20.66546 1 301 1 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 0 2.4505534 -5.332223 19.33941 1 302 1 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 0 3.7664466 -4.5867596 19.350859 1 303 1 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 0 3.5089264 -3.1580572 19.43391 1 304 1 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 0 4.638467 -4.940285 20.548285 1 305 1 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 0 5.987153 -5.048485 20.135353 1 306 1 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 0 4.417841 -3.766541 21.498455 1 307 1 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 0 4.1990013 -2.6185875 20.536514 1 308 1 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 0 3.4006534 -1.519166 21.066137 1 309 1 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 0 2.2524204 -1.601831 21.817553 1 310 1 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 0 1.768646 -0.44198608 22.15713 1 311 1 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 0 2.643942 0.46775115 21.585148 1 312 1 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 0 2.6428385 1.8822913 21.606382 1 313 1 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 0 1.8322469 2.640202 22.15503 1 314 1 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 0 3.718276 2.4202175 20.899992 1 315 1 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 0 4.672297 1.673203 20.25101 1 316 1 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 0 5.628807 2.3629088 19.620575 1 317 1 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 0 4.6898994 0.34942424 20.222435 1 318 1 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 0 3.650765 -0.1826544 20.903343 1 319 1 +ATOM P P . DG A0 1 16 . 16 DG A0 P 0 7.143889 -5.2780285 21.198654 1 320 1 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 0 6.5102005 -5.468546 22.528233 1 321 1 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 0 8.094464 -6.2718563 20.671925 1 322 1 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 0 7.842868 -3.8507013 21.215843 1 323 1 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 0 8.26813 -3.2327595 20.003365 1 324 1 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 0 9.011602 -1.9555604 20.329775 1 325 1 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 0 8.067345 -0.9500565 20.779842 1 326 1 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 0 10.029665 -2.1097064 21.452984 1 327 1 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 0 11.110083 -1.2192571 21.231628 1 328 1 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 0 9.242428 -1.6676586 22.679132 1 329 1 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 0 8.408347 -0.54159415 22.094162 1 330 1 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 0 7.171999 -0.2319532 22.801567 1 331 1 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 0 6.2773075 -1.1119509 23.347414 1 332 1 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 0 5.2588034 -0.52711225 23.91684 1 333 1 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 0 5.492054 0.82816726 23.725342 1 334 1 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 0 4.7330413 1.9578236 24.11876 1 335 1 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 0 3.6645215 1.9877563 24.729607 1 336 1 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 0 5.3372226 3.150724 23.728554 1 337 1 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 0 6.5211153 3.2367764 23.03817 1 338 1 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 0 6.9470444 4.4786816 22.750105 1 339 1 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 0 7.244725 2.1900792 22.663647 1 340 1 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 0 6.668138 1.0231771 23.036049 1 341 1 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 0 -2.3506274 8.700052 28.85662 1 342 1 +ATOM P P . DT B0 2 1 . 1 DT B0 P 0 -1.9202328 8.311837 30.322994 1 343 1 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 0 -2.5698757 7.051582 30.002747 1 344 1 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 0 -2.319059 9.509685 30.833714 1 345 1 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 0 -0.24247092 8.240725 30.380337 1 346 1 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 0 0.38842836 9.310562 31.021563 1 347 1 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 0 1.5974228 9.779046 30.18587 1 348 1 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 0 2.5865455 8.729409 30.211863 1 349 1 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 0 1.2364981 10.012711 28.737263 1 350 1 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 0 1.6907246 11.274 28.272987 1 351 1 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 0 1.9113297 8.889166 27.9611 1 352 1 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 0 2.9907742 8.383903 28.898766 1 353 1 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 0 3.0993648 6.9068 28.777393 1 354 1 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 0 4.2442703 6.343117 28.268917 1 355 1 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 0 5.234499 6.9842196 27.946327 1 356 1 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 0 4.2127285 4.986947 28.151072 1 357 1 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 0 3.1585436 4.152762 28.477287 1 358 1 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 0 3.2294896 2.937874 28.319359 1 359 1 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 0 1.9945552 4.798992 28.999819 1 360 1 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 0 0.7907876 3.9761968 29.380844 1 361 1 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 0 2.02092 6.1341453 29.126152 1 362 1 +ATOM P P . DC B0 2 2 . 2 DC B0 P 0 1.0635841 11.724436 26.816212 1 363 1 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 0 0.027446548 10.765326 26.362839 1 364 1 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 0 0.7457486 13.164843 26.906658 1 365 1 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 0 2.344747 11.542107 25.882011 1 366 1 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 0 3.6415315 11.854883 26.366974 1 367 1 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 0 4.681826 11.341465 25.390835 1 368 1 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 0 4.863737 9.904928 25.57605 1 369 1 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 0 4.311455 11.5401745 23.93 1 370 1 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 0 5.4466767 11.951437 23.183113 1 371 1 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 0 3.840907 10.165953 23.488117 1 372 1 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 0 4.677818 9.232326 24.34562 1 373 1 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 0 4.0298557 7.928298 24.61095 1 374 1 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 0 4.703451 6.74203 24.28062 1 375 1 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 0 5.8405414 6.81394 23.77908 1 376 1 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 0 4.1009793 5.5536256 24.512234 1 377 1 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 0 2.8800972 5.5324435 25.048151 1 378 1 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 0 2.321822 4.336307 25.262154 1 379 1 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 0 2.1711044 6.715559 25.393375 1 380 1 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 0 2.7828345 7.884407 25.164318 1 381 1 +ATOM P P . DC B0 2 3 . 3 DC B0 P 0 5.2599783 12.494072 21.689213 1 382 1 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 0 3.815205 12.453634 21.341633 1 383 1 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 0 5.992802 13.781937 21.647772 1 384 1 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 0 6.0007143 11.440908 20.749039 1 385 1 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 0 7.059352 10.635261 21.24021 1 386 1 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 0 7.4370575 9.6159115 20.1734 1 387 1 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 0 6.8722267 8.320406 20.52932 1 388 1 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 0 6.9047117 9.939774 18.783848 1 389 1 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 0 7.864801 9.569609 17.805046 1 390 1 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 0 5.6465764 9.0882015 18.667225 1 391 1 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 0 5.9977036 7.8720684 19.512054 1 392 1 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 0 4.827356 7.248517 20.159008 1 393 1 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 0 4.740329 5.852827 20.226023 1 394 1 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 0 5.6610346 5.1673164 19.748037 1 395 1 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 0 3.6605344 5.295514 20.814388 1 396 1 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 0 2.6979756 6.0745497 21.316643 1 397 1 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 0 1.6471801 5.4832525 21.88709 1 398 1 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 0 2.7633781 7.495522 21.260283 1 399 1 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 0 3.8407998 8.033591 20.678925 1 400 1 +ATOM P P . DC B0 2 4 . 4 DC B0 P 0 7.6023045 9.894318 16.23936 1 401 1 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 0 6.2066774 10.3421755 16.03426 1 402 1 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 0 8.729537 10.760587 15.834238 1 403 1 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 0 7.762146 8.479697 15.538256 1 404 1 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 0 8.439999 7.437755 16.207026 1 405 1 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 0 8.037542 6.094165 15.636049 1 406 1 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 0 6.8914795 5.5639715 16.351452 1 407 1 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 0 7.6326413 6.1130457 14.172976 1 408 1 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 0 8.072639 4.894209 13.604797 1 409 1 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 0 6.10085 6.1783924 14.228552 1 410 1 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 0 5.8262873 5.317747 15.449406 1 411 1 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 0 4.5780697 5.599782 16.191256 1 412 1 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 0 3.8758974 4.5283165 16.735355 1 413 1 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 0 4.301141 3.3722572 16.565012 1 414 1 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 0 2.7561562 4.777919 17.445948 1 415 1 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 0 2.3297262 6.0332813 17.620535 1 416 1 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 0 1.2237487 6.233843 18.326454 1 417 1 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 0 3.032539 7.1385756 17.069225 1 418 1 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 0 4.1410437 6.877595 16.368904 1 419 1 +ATOM P P . DA B0 2 5 . 5 DA B0 P 0 8.55176 4.8214197 12.076443 1 420 1 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 0 8.250965 6.105634 11.390821 1 421 1 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 0 9.927219 4.274511 12.081121 1 422 1 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 0 7.5876403 3.716385 11.4970455 1 423 1 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 0 7.5397844 2.4496253 12.127431 1 424 1 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 0 6.1967764 1.81113 11.875797 1 425 1 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 0 5.1923347 2.4336076 12.710714 1 426 1 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 0 5.686063 1.9362316 10.433863 1 427 1 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 0 5.1707745 0.6736918 10.050085 1 428 1 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 0 4.58494 2.999147 10.548172 1 429 1 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 0 4.0530996 2.678101 11.929231 1 430 1 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 0 3.2423368 3.6937728 12.582772 1 431 1 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 0 3.300911 5.0573277 12.457037 1 432 1 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 0 2.4185727 5.7035427 13.177851 1 433 1 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 0 1.7315441 4.690054 13.829872 1 434 1 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 0 0.66449285 4.7125654 14.746864 1 435 1 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 0 0.08237569 5.825178 15.1831045 1 436 1 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 0 0.21661574 3.5251446 15.21447 1 437 1 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 0 0.804963 2.4004116 14.777666 1 438 1 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 0 1.8124316 2.2612786 13.919327 1 439 1 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 0 2.2305036 3.4575598 13.477064 1 440 1 +ATOM P P . DC B0 2 6 . 6 DC B0 P 0 5.008092 0.33555043 8.48387 1 441 1 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 0 6.173423 0.87125546 7.7478476 1 442 1 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 0 4.70133 -1.1343808 8.398616 1 443 1 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 0 3.7366366 1.1932284 8.095535 1 444 1 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 0 2.4955158 0.59082747 7.8392262 1 445 1 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 0 1.7794055 0.15134524 9.083458 1 446 1 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 0 1.6215892 1.253071 10.0085535 1 447 1 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 0 0.3737924 -0.37051165 8.816521 1 448 1 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 0 0.13012697 -1.5735496 9.521425 1 449 1 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 0 -0.5194874 0.7518665 9.342676 1 450 1 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 0 0.30168664 1.3131212 10.469058 1 451 1 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 0 -0.06839123 2.7063284 10.832362 1 452 1 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 0 -1.0156165 2.9197547 11.835787 1 453 1 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 0 -1.5052445 1.955981 12.425664 1 454 1 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 0 -1.3665953 4.1926904 12.146921 1 455 1 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 0 -0.8186753 5.2161446 11.498634 1 456 1 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 0 -1.1908448 6.4434004 11.843023 1 457 1 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 0 0.15682274 5.004486 10.470953 1 458 1 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 0 0.49910113 3.7510152 10.172149 1 459 1 +ATOM P P . DT B0 2 7 . 7 DT B0 P 0 -1.0680653 -2.5374823 8.99943 1 460 1 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 0 -1.2497554 -2.3970854 7.533612 1 461 1 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 0 -0.79715014 -3.8662953 9.599432 1 462 1 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 0 -2.359282 -1.9155467 9.692075 1 463 1 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 0 -2.5186455 -2.01384 11.086652 1 464 1 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 0 -3.9001594 -1.5316212 11.50387 1 465 1 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 0 -3.9274912 -0.08615422 11.500303 1 466 1 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 0 -5.065317 -1.97807 10.614422 1 467 1 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 0 -6.124655 -2.351397 11.498654 1 468 1 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 0 -5.420027 -0.71568346 9.813075 1 469 1 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 0 -5.089368 0.3704544 10.824381 1 470 1 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 0 -4.736544 1.7349124 10.345203 1 471 1 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 0 -5.3339753 2.793448 10.99505 1 472 1 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 0 -6.1754823 2.65059 11.866867 1 473 1 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 0 -4.9015775 4.0315385 10.599952 1 474 1 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 0 -3.9603033 4.3056526 9.6341305 1 475 1 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 0 -3.6437993 5.4641294 9.374858 1 476 1 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 0 -3.3850904 3.1536293 8.981798 1 477 1 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 0 -2.354479 3.353036 7.909257 1 478 1 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 0 -3.7967317 1.9399759 9.364191 1 479 1 +ATOM P P . DT B0 2 8 . 8 DT B0 P 0 -7.38667 -3.1880417 11.001516 1 480 1 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 0 -7.1890087 -3.6246614 9.601612 1 481 1 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 0 -7.6564274 -4.189965 12.069454 1 482 1 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 0 -8.554077 -2.1121368 11.021456 1 483 1 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 0 -8.836295 -1.4408605 12.228716 1 484 1 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 0 -9.827847 -0.31514442 12.012502 1 485 1 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 0 -9.135342 0.8631221 11.511156 1 486 1 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 0 -10.966697 -0.59641075 11.028443 1 487 1 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 0 -12.190811 -0.3262384 11.712061 1 488 1 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 0 -10.722883 0.38629776 9.879318 1 489 1 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 0 -9.962937 1.50411 10.5687685 1 490 1 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 0 -9.054401 2.339764 9.734368 1 491 1 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 0 -9.053388 3.7121835 9.938407 1 492 1 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 0 -9.7777195 4.268645 10.744308 1 493 1 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 0 -8.157051 4.4079475 9.169454 1 494 1 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 0 -7.295892 3.874278 8.236031 1 495 1 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 0 -6.526719 4.5948753 7.600892 1 496 1 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 0 -7.3513966 2.439618 8.065711 1 497 1 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 0 -6.453583 1.7687703 7.0658236 1 498 1 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 0 -8.221236 1.749641 8.816807 1 499 1 +ATOM P P . DC B0 2 9 . 9 DC B0 P 0 -13.623144 -0.58159757 10.9725 1 500 1 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 0 -13.454859 -1.4830987 9.804371 1 501 1 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 0 -14.575556 -0.93713796 12.060431 1 502 1 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 0 -14.012527 0.8628173 10.430492 1 503 1 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 0 -13.955214 1.9571898 11.311224 1 504 1 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 0 -14.36981 3.2298152 10.607826 1 505 1 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 0 -13.19345 3.8424292 9.998865 1 506 1 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 0 -15.398513 3.0545928 9.485167 1 507 1 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 0 -16.476898 3.9513764 9.704466 1 508 1 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 0 -14.620449 3.4053664 8.218237 1 509 1 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 0 -13.558569 4.3422055 8.742716 1 510 1 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 0 -12.334881 4.4458494 7.9173536 1 511 1 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 0 -11.779926 5.70753 7.670742 1 512 1 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 0 -12.307881 6.7129726 8.177935 1 513 1 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 0 -10.672571 5.8052588 6.902457 1 514 1 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 0 -10.132996 4.7024345 6.376256 1 515 1 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 0 -9.04339 4.8433647 5.617139 1 516 1 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 0 -10.682228 3.4052525 6.608357 1 517 1 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 0 -11.776216 3.3273954 7.380821 1 518 1 +ATOM P P . DC B0 2 10 . 10 DC B0 P 0 -17.829605 3.8478966 8.8045025 1 519 1 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 0 -17.756699 2.6795363 7.888311 1 520 1 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 0 -18.957754 3.9850583 9.7664585 1 521 1 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 0 -17.77304 5.1707773 7.914117 1 522 1 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 0 -17.448204 6.398719 8.531172 1 523 1 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 0 -17.013407 7.3954635 7.4980025 1 524 1 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 0 -15.647327 7.100337 7.0668726 1 525 1 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 0 -17.86102 7.423113 6.217889 1 526 1 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 0 -18.21637 8.756103 5.917882 1 527 1 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 0 -16.91642 6.8737845 5.1636443 1 528 1 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 0 -15.582358 7.346007 5.6991863 1 529 1 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 0 -14.413527 6.680806 5.088683 1 530 1 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 0 -13.366861 7.4797 4.648325 1 531 1 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 0 -13.411976 8.701915 4.8353167 1 532 1 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 0 -12.314418 6.8946133 4.025955 1 533 1 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 0 -12.296175 5.5728817 3.8401675 1 534 1 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 0 -11.247608 5.045208 3.2173944 1 535 1 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 0 -13.362933 4.734461 4.2918243 1 536 1 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 0 -14.392092 5.3289948 4.9074936 1 537 1 +ATOM P P . DT B0 2 11 . 11 DT B0 P 0 -19.262133 9.102594 4.733252 1 538 1 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 0 -19.370155 7.9610023 3.7840285 1 539 1 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 0 -20.46845 9.649082 5.392355 1 540 1 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 0 -18.511456 10.290854 3.9732122 1 541 1 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 0 -17.863806 11.300655 4.723506 1 542 1 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 0 -16.913233 12.07971 3.834216 1 543 1 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 0 -15.791522 11.23601 3.4639769 1 544 1 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 0 -17.53791 12.568436 2.5280235 1 545 1 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 0 -17.12102 13.913081 2.3141437 1 546 1 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 0 -16.9757 11.607641 1.4782238 1 547 1 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 0 -15.62142 11.2520895 2.0605083 1 548 1 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 0 -15.062389 9.932144 1.6525564 1 549 1 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 0 -13.822802 9.8964615 1.0531875 1 550 1 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 0 -13.152964 10.894142 0.82123995 1 551 1 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 0 -13.376102 8.644806 0.7289659 1 552 1 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 0 -14.034744 7.4468374 0.938691 1 553 1 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 0 -13.527475 6.3779097 0.609426 1 554 1 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 0 -15.332434 7.557864 1.5667912 1 555 1 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 0 -16.128817 6.3149443 1.8367985 1 556 1 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 0 -15.7785 8.777218 1.8908134 1 557 1 +ATOM P P . DT B0 2 12 . 12 DT B0 P 0 -17.804077 14.82852 1.166971 1 558 1 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 0 -18.778042 14.009441 0.38232863 1 559 1 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 0 -18.241096 16.067818 1.8363035 1 560 1 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 0 -16.581833 15.174976 0.2134804 1 561 1 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 0 -15.580278 14.208668 0.058029026 1 562 1 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 0 -14.4287615 14.743009 -0.74824715 1 563 1 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 0 -13.597326 13.6090355 -1.0362351 1 564 1 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 0 -14.7860365 15.33671 -2.1129706 1 565 1 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 0 -13.788296 16.29055 -2.4661565 1 566 1 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 0 -14.800854 14.104923 -3.0056272 1 567 1 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 0 -13.716285 13.230924 -2.3952842 1 568 1 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 0 -13.981157 11.769918 -2.437291 1 569 1 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 0 -12.949137 10.9334755 -2.7919164 1 570 1 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 0 -11.834827 11.3393755 -3.077875 1 571 1 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 0 -13.254347 9.596374 -2.7987208 1 572 1 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 0 -14.4726515 9.030655 -2.4852967 1 573 1 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 0 -14.62171 7.816559 -2.521055 1 574 1 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 0 -15.517953 9.959961 -2.120802 1 575 1 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 0 -16.877468 9.444224 -1.7692137 1 576 1 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 0 -15.221152 11.271927 -2.112134 1 577 1 +ATOM P P . DT B0 2 13 . 13 DT B0 P 0 -13.768435 16.910667 -3.963677 1 578 1 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 0 -15.095842 16.757875 -4.605979 1 579 1 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 0 -13.168557 18.260006 -3.7958574 1 580 1 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 0 -12.725186 16.006035 -4.7535696 1 581 1 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 0 -11.427132 15.800292 -4.2114487 1 582 1 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 0 -10.561697 14.983808 -5.1560283 1 583 1 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 0 -10.98388 13.599775 -5.1557016 1 584 1 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 0 -10.575134 15.425893 -6.618607 1 585 1 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 0 -9.224571 15.375578 -7.0730386 1 586 1 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 0 -11.458676 14.389813 -7.3079815 1 587 1 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 0 -11.166353 13.148085 -6.486483 1 588 1 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 0 -12.2093525 12.086317 -6.423502 1 589 1 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 0 -11.81023 10.782864 -6.6119943 1 590 1 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 0 -10.662022 10.460769 -6.8901954 1 591 1 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 0 -12.794867 9.850082 -6.459122 1 592 1 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 0 -14.121576 10.085547 -6.1467137 1 593 1 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 0 -14.913827 9.156006 -6.0256653 1 594 1 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 0 -14.480271 11.474348 -5.9763274 1 595 1 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 0 -15.896372 11.833706 -5.6436334 1 596 1 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 0 -13.516746 12.3945265 -6.1161413 1 597 1 +ATOM P P . DT B0 2 14 . 14 DT B0 P 0 -8.830127 15.809292 -8.606993 1 598 1 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 0 -9.978773 16.503857 -9.230565 1 599 1 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 0 -7.507064 16.479086 -8.509369 1 600 1 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 0 -8.618584 14.416242 -9.344534 1 601 1 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 0 -7.656717 13.510834 -8.828344 1 602 1 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 0 -7.648598 12.217958 -9.630857 1 603 1 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 0 -8.840663 11.452553 -9.356305 1 604 1 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 0 -7.599411 12.384562 -11.146465 1 605 1 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 0 -6.5718145 11.522133 -11.618459 1 606 1 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 0 -8.981069 11.952706 -11.623186 1 607 1 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 0 -9.35487 10.930134 -10.565954 1 608 1 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 0 -10.80061 10.662654 -10.338114 1 609 1 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 0 -11.220848 9.357931 -10.244415 1 610 1 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 0 -10.478153 8.394663 -10.377016 1 611 1 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 0 -12.544857 9.193788 -9.9752445 1 612 1 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 0 -13.476488 10.197641 -9.804464 1 613 1 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 0 -14.650171 9.937857 -9.560481 1 614 1 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 0 -12.974854 11.542954 -9.924612 1 615 1 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 0 -13.906517 12.702179 -9.76195 1 616 1 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 0 -11.676044 11.708437 -10.180838 1 617 1 +ATOM P P . DA B0 2 15 . 15 DA B0 P 0 -6.1763115 11.403466 -13.17178 1 618 1 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 0 -6.858062 12.471588 -13.943211 1 619 1 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 0 -4.696107 11.274868 -13.19808 1 620 1 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 0 -6.812199 10.008461 -13.591967 1 621 1 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 0 -6.621095 8.876446 -12.770222 1 622 1 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 0 -7.268812 7.65561 -13.388092 1 623 1 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 0 -8.672297 7.6165924 -13.030094 1 624 1 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 0 -7.2097826 7.580712 -14.909463 1 625 1 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 0 -6.7943134 6.2710066 -15.256468 1 626 1 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 0 -8.643343 7.8975573 -15.343157 1 627 1 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 0 -9.465803 7.3818026 -14.174105 1 628 1 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 0 -10.741064 8.051054 -13.932074 1 629 1 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 0 -10.982807 9.394928 -13.904242 1 630 1 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 0 -12.224365 9.706966 -13.613844 1 631 1 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 0 -12.845878 8.475225 -13.439489 1 632 1 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 0 -14.167683 8.12449 -13.113946 1 633 1 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 0 -15.136732 9.006113 -12.898144 1 634 1 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 0 -14.457785 6.8053217 -13.01537 1 635 1 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 0 -13.482473 5.9168944 -13.234896 1 636 1 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 0 -12.20241 6.1316967 -13.544437 1 637 1 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 0 -11.942316 7.4518023 -13.633558 1 638 1 +ATOM P P . DT B0 2 16 . 16 DT B0 P 0 -6.7062397 5.749537 -16.766342 1 639 1 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 0 -6.7831826 6.9057927 -17.695541 1 640 1 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 0 -5.5575776 4.80987 -16.849537 1 641 1 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 0 -8.048155 4.922295 -16.897827 1 642 1 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 0 -8.404533 3.9907382 -15.885776 1 643 1 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 0 -9.672783 3.2775238 -16.278576 1 644 1 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 0 -10.828691 4.0916677 -15.902119 1 645 1 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 0 -9.80522 3.0019624 -17.770851 1 646 1 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 0 -10.347454 1.711896 -17.966133 1 647 1 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 0 -10.785023 4.085207 -18.233587 1 648 1 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 0 -11.692022 4.1862698 -17.01764 1 649 1 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 0 -12.494448 5.4231725 -16.875528 1 650 1 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 0 -13.783476 5.3054285 -16.391659 1 651 1 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 0 -14.283983 4.2390804 -16.078026 1 652 1 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 0 -14.47136 6.484413 -16.272514 1 653 1 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 0 -13.998608 7.7477016 -16.582962 1 654 1 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 0 -14.712357 8.731215 -16.429829 1 655 1 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 0 -12.638537 7.8009343 -17.088228 1 656 1 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 0 -12.025938 9.130339 -17.47126 1 657 1 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 0 -11.958637 6.6505194 -17.20653 1 658 1 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 0 7.68221 -12.004101 20.721706 1 659 1 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 0 7.516734 -10.583399 21.065912 1 660 1 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 0 8.8074465 -9.804346 21.1984 1 661 1 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 0 8.774563 -8.604194 21.472134 1 662 1 +ATOM N N . SER C0 3 2 . 2 SER C0 N 0 9.927626 -10.478525 20.978172 1 663 1 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 0 11.232057 -9.840294 21.14199 1 664 1 +ATOM C C . SER C0 3 2 . 2 SER C0 C 0 11.770497 -9.226485 19.849552 1 665 1 +ATOM O O . SER C0 3 2 . 2 SER C0 O 0 12.7283 -8.4593 19.896591 1 666 1 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 0 12.244268 -10.84724 21.703583 1 667 1 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 0 12.397396 -11.967595 20.854942 1 668 1 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 0 11.149288 -9.551609 18.711807 1 669 1 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 0 11.583111 -8.993584 17.43171 1 670 1 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 0 10.733017 -7.7946453 17.022606 1 671 1 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 0 9.504117 -7.797419 17.178219 1 672 1 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 0 11.568967 -10.05781 16.32478 1 673 1 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 0 12.718435 -11.070705 16.416084 1 674 1 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 0 13.013693 -11.733147 15.056168 1 675 1 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 0 14.017779 -10.932931 14.265711 1 676 1 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 0 14.399139 -11.588409 12.976629 1 677 1 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 0 11.379406 -6.768318 16.516434 1 678 1 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 0 10.707727 -5.593335 15.984806 1 679 1 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 0 9.750656 -6.025505 14.887621 1 680 1 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 0 10.093293 -6.870097 14.055011 1 681 1 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 0 11.749703 -4.6156855 15.438051 1 682 1 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 0 11.149895 -3.3679667 14.808013 1 683 1 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 0 12.202848 -2.5917485 13.990404 1 684 1 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 0 13.131958 -1.804218 14.889863 1 685 1 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 0 14.029149 -0.9242506 14.110666 1 686 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 8.545749 -5.4819727 14.878491 1 687 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 7.529878 -5.8728476 13.902044 1 688 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 7.929657 -5.43163 12.499998 1 689 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 8.305492 -4.2717695 12.290247 1 690 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 6.1663637 -5.26903 14.30032 1 691 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 4.983322 -5.877287 13.578668 1 692 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 3.7350144 -4.9544277 13.672131 1 693 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 3.124148 -4.881391 15.067158 1 694 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 2.3680694 -6.1074443 15.433332 1 695 1 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 0 7.8451595 -6.3514614 11.531413 1 696 1 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 0 8.222992 -6.0838785 10.145227 1 697 1 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 0 7.395922 -4.9497423 9.540694 1 698 1 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 0 6.203127 -4.82275 9.824998 1 699 1 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 0 8.11455 -7.364807 9.2747345 1 700 1 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 0 8.762338 -7.1503344 7.9032807 1 701 1 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 0 6.6574335 -7.79529 9.133993 1 702 1 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 0 8.860187 -8.423274 7.048285 1 703 1 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 0 8.049406 -4.1332636 8.717146 1 704 1 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 0 7.3591137 -3.027678 8.065997 1 705 1 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 0 6.8042564 -3.4755397 6.7253046 1 706 1 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 0 7.33763 -4.4203663 6.11502 1 707 1 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 0 8.321549 -1.8476028 7.901442 1 708 1 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 0 9.003512 -1.5053451 9.2173195 1 709 1 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 0 9.72679 -0.16704074 9.306397 1 710 1 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 0 9.051507 0.914013 8.616995 1 711 1 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 0 9.504641 2.1574423 8.563135 1 712 1 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 0 10.634355 2.4778104 9.17378 1 713 1 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 0 8.818644 3.077125 7.9016814 1 714 1 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 0 5.7579675 -2.7995715 6.250887 1 715 1 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 0 5.097596 -3.1681087 5.0049214 1 716 1 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 0 6.0617313 -3.1984549 3.815036 1 717 1 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 0 6.046076 -4.1494493 3.0308897 1 718 1 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 0 3.921658 -2.2235672 4.7116613 1 719 1 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 0 3.180996 -2.446865 3.3834138 1 720 1 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 0 2.108826 -1.3759975 3.1917984 1 721 1 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 0 2.5758138 -3.835591 3.3126779 1 722 1 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 0 6.89672 -2.1664479 3.6779394 1 723 1 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 0 7.8097224 -2.126989 2.5336719 1 724 1 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 0 8.779125 -3.3033075 2.532261 1 725 1 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 0 9.132435 -3.8241274 1.4664936 1 726 1 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 0 8.55163 -0.7823521 2.4406133 1 727 1 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 0 9.609713 -0.52856624 3.4901514 1 728 1 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 0 9.377573 0.32220513 4.5628614 1 729 1 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 0 10.870323 -1.1277096 3.3912244 1 730 1 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 0 10.357315 0.5705492 5.512398 1 731 1 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 0 11.84984 -0.88463014 4.3375797 1 732 1 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 0 11.583795 -0.04109738 5.396393 1 733 1 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 0 12.562347 0.20628524 6.340839 1 734 1 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 0 9.196323 -3.7678776 3.7281117 1 735 1 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 0 10.095439 -4.9199157 3.8228252 1 736 1 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 0 9.373314 -6.1984425 3.437697 1 737 1 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 0 9.937586 -7.064184 2.7672377 1 738 1 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 0 10.667899 -5.0548644 5.228779 1 739 1 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 0 12.066131 -4.478204 5.3806744 1 740 1 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 0 13.049767 -5.052958 4.371009 1 741 1 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 0 13.049053 -6.237382 4.024391 1 742 1 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 0 13.922104 -4.1961603 3.8511815 1 743 1 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 0 8.124294 -6.335025 3.874258 1 744 1 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 0 7.291051 -7.4788303 3.5320127 1 745 1 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 0 7.1608286 -7.617303 2.0126247 1 746 1 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 0 7.331124 -8.70248 1.4598124 1 747 1 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 0 5.908786 -7.3272886 4.170853 1 748 1 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 0 4.894244 -8.347917 3.7358353 1 749 1 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 0 3.9094677 -8.016307 2.8178008 1 750 1 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 0 4.9094696 -9.63043 4.2532773 1 751 1 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 0 2.963206 -8.948116 2.4211009 1 752 1 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 0 3.9678676 -10.565259 3.864042 1 753 1 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 0 2.9916577 -10.229393 2.9440875 1 754 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 6.897916 -6.5012026 1.3354366 1 755 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 6.7307167 -6.5016794 -0.114960924 1 756 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 8.042517 -6.78089 -0.84162796 1 757 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 8.0780945 -7.5805173 -1.7795234 1 758 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 6.1429205 -5.1638556 -0.58435833 1 759 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 4.75181 -4.8230696 -0.03960158 1 760 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 4.350363 -3.4129357 -0.47908747 1 761 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 3.7285814 -5.8485947 -0.50824195 1 762 1 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 0 9.115065 -6.133683 -0.4041043 1 763 1 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 0 10.424015 -6.348081 -1.0142423 1 764 1 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 0 10.8604965 -7.7974386 -0.8476447 1 765 1 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 0 11.376221 -8.410793 -1.7904443 1 766 1 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 0 11.468306 -5.402445 -0.40159208 1 767 1 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 0 12.880575 -5.48952 -0.98017144 1 768 1 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 0 13.794161 -4.4896455 -0.2766708 1 769 1 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 0 12.880261 -5.2419972 -2.4872336 1 770 1 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 0 10.642303 -8.362387 0.33756468 1 771 1 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 0 10.964455 -9.762741 0.59678245 1 772 1 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 0 10.224491 -10.692296 -0.35898888 1 773 1 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 0 10.809917 -11.637236 -0.88364804 1 774 1 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 0 10.626432 -10.143829 2.0474272 1 775 1 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 0 11.568157 -9.514754 3.0666156 1 776 1 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 0 12.565172 -8.868635 2.6574574 1 777 1 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 0 11.318967 -9.658855 4.2828746 1 778 1 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 0 8.94268 -10.424379 -0.5879114 1 779 1 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 0 8.149431 -11.230148 -1.5149363 1 780 1 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 0 8.725586 -11.178513 -2.9275985 1 781 1 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 0 8.850941 -12.206106 -3.5962663 1 782 1 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 0 6.6967564 -10.7472725 -1.5688801 1 783 1 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 0 5.7282953 -11.17297 -0.471559 1 784 1 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 0 4.301305 -10.969147 -0.976111 1 785 1 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 0 5.938884 -12.626472 -0.087676644 1 786 1 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 0 9.050746 -9.963149 -3.3753166 1 787 1 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 0 9.5823345 -9.778252 -4.719429 1 788 1 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 0 10.920427 -10.482811 -4.9059296 1 789 1 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 0 11.183838 -11.039573 -5.972157 1 790 1 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 0 9.705831 -8.284099 -5.029174 1 791 1 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 0 8.373671 -7.608025 -5.387022 1 792 1 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 0 8.467728 -6.103925 -5.208046 1 793 1 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 0 7.951938 -7.963173 -6.804575 1 794 1 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 0 11.750702 -10.476505 -3.8713534 1 795 1 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 0 13.057446 -11.104955 -3.94661 1 796 1 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 0 12.9991 -12.619802 -3.7594786 1 797 1 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 0 13.835474 -13.33993 -4.307828 1 798 1 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 0 14.022644 -10.4602585 -2.9379232 1 799 1 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 0 14.435366 -9.060651 -3.3553672 1 800 1 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 0 15.372267 -8.39027 -2.36057 1 801 1 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 0 15.829611 -7.1025 -2.8950999 1 802 1 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 0 16.60693 -6.2300253 -2.2556906 1 803 1 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 0 17.031559 -6.5154986 -1.0229805 1 804 1 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 0 16.954956 -5.0863805 -2.826921 1 805 1 +ATOM N N . SER C0 3 18 . 18 SER C0 N 0 12.023111 -13.104681 -3.0041447 1 806 1 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 0 11.82576 -14.551535 -2.8129296 1 807 1 +ATOM C C . SER C0 3 18 . 18 SER C0 C 0 11.198745 -15.177544 -4.050466 1 808 1 +ATOM O O . SER C0 3 18 . 18 SER C0 O 0 11.616283 -16.248264 -4.490263 1 809 1 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 0 10.910682 -14.836504 -1.6221218 1 810 1 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 0 11.101086 -13.921446 -0.58779454 1 811 1 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 0 10.186939 -14.532139 -4.5681996 1 812 1 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 0 9.485439 -15.015324 -5.7477083 1 813 1 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 0 8.115159 -15.612007 -5.4728622 1 814 1 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 0 7.446786 -16.064 -6.403528 1 815 1 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 0 7.6572943 -15.645544 -4.221649 1 816 1 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 0 6.3127785 -16.134804 -3.9369884 1 817 1 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 0 5.299114 -15.057906 -4.313364 1 818 1 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 0 5.6503243 -13.877747 -4.4197445 1 819 1 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 0 6.169821 -16.524523 -2.4646635 1 820 1 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 0 5.006301 -17.469193 -2.2192411 1 821 1 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 0 4.3987083 -17.971653 -3.2014544 1 822 1 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 0 4.6834087 -17.734638 -1.0435965 1 823 1 +ATOM N N . MET C0 3 21 . 21 MET C0 N 0 4.064348 -15.459757 -4.5123 1 824 1 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 0 2.9592009 -14.567474 -4.8618984 1 825 1 +ATOM C C . MET C0 3 21 . 21 MET C0 C 0 3.1947432 -13.796552 -6.1599865 1 826 1 +ATOM O O . MET C0 3 21 . 21 MET C0 O 0 2.8342366 -12.619107 -6.2725496 1 827 1 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 0 2.661868 -13.6001625 -3.7106931 1 828 1 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 0 2.4834542 -14.298416 -2.3773332 1 829 1 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 0 1.4399695 -13.389572 -1.2107644 1 830 1 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 0 -0.17101368 -13.647556 -1.9336154 1 831 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 3.7797709 -14.483567 -7.1725216 1 832 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 4.0098734 -13.851398 -8.473048 1 833 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 2.699976 -13.571583 -9.1989975 1 834 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 2.6662045 -12.77269 -10.129897 1 835 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 4.921645 -14.728743 -9.346192 1 836 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 6.3227973 -14.883684 -8.781359 1 837 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 7.2751093 -15.462479 -9.823608 1 838 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 8.564762 -15.956049 -9.19803 1 839 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 9.710104 -15.018237 -9.448015 1 840 1 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 0 1.6287786 -14.248875 -8.770517 1 841 1 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 0 0.30188417 -13.965817 -9.303743 1 842 1 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 0 -0.21537814 -12.625029 -8.796064 1 843 1 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 0 -1.0896653 -12.019908 -9.410984 1 844 1 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 0 -0.6925037 -15.059451 -8.905989 1 845 1 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 0 -0.42905694 -16.380238 -9.595681 1 846 1 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 0 -0.31693622 -16.385757 -10.838778 1 847 1 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 0 -0.3340848 -17.410046 -8.897313 1 848 1 +ATOM N N . SER C0 3 24 . 24 SER C0 N 0 0.32166147 -12.190739 -7.6594906 1 849 1 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 0 -0.16547641 -10.997971 -6.9723377 1 850 1 +ATOM C C . SER C0 3 24 . 24 SER C0 C 0 0.7139637 -9.759972 -7.160922 1 851 1 +ATOM O O . SER C0 3 24 . 24 SER C0 O 0 0.19624788 -8.643493 -7.214431 1 852 1 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 0 -0.29723352 -11.274345 -5.4715624 1 853 1 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 0 -1.1140516 -12.414618 -5.23171 1 854 1 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 0 2.0351052 -9.96084 -7.2512693 1 855 1 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 0 2.9727824 -8.842619 -7.329093 1 856 1 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 0 4.2222996 -9.248165 -8.109856 1 857 1 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 0 4.68294 -10.386602 -8.011108 1 858 1 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 0 3.3389287 -8.328917 -5.914684 1 859 1 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 0 4.1771436 -7.052126 -5.98987 1 860 1 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 0 4.0656376 -9.411432 -5.114493 1 861 1 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 0 4.4189262 -6.391793 -4.6258936 1 862 1 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 0 4.7621245 -8.33071 -8.894218 1 863 1 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 0 5.9428287 -8.624596 -9.726955 1 864 1 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 0 6.7162857 -7.3493743 -10.005669 1 865 1 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 0 6.1980543 -6.230389 -9.881077 1 866 1 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 0 5.5242834 -9.250813 -11.056663 1 867 1 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 0 4.4634323 -8.460287 -11.775715 1 868 1 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 0 4.6292267 -7.3714237 -12.568444 1 869 1 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 0 3.0497665 -8.6870365 -11.719365 1 870 1 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 0 3.4136362 -6.9074135 -13.015879 1 871 1 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 0 2.4281402 -7.705533 -12.5079155 1 872 1 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 0 2.2544508 -9.648386 -11.08844 1 873 1 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 0 1.0549327 -7.634678 -12.688719 1 874 1 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 0 0.88089126 -9.587118 -11.262717 1 875 1 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 0 0.2827792 -8.592566 -12.051045 1 876 1 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 0 8.002038 -7.5215607 -10.410866 1 877 1 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 0 8.807381 -6.3885756 -10.827507 1 878 1 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 0 8.3718405 -5.922468 -12.214347 1 879 1 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 0 8.214127 -6.742896 -13.125656 1 880 1 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 0 10.294923 -6.76202 -10.897407 1 881 1 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 0 10.970932 -7.0500703 -9.593002 1 882 1 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 0 11.472684 -8.249424 -9.171144 1 883 1 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 0 11.259097 -6.11408 -8.539627 1 884 1 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 0 12.042248 -8.121483 -7.928378 1 885 1 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 0 11.920639 -6.819848 -7.5139437 1 886 1 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 0 11.00149 -4.7423487 -8.364864 1 887 1 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 0 12.350727 -6.207824 -6.337121 1 888 1 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 0 11.425016 -4.133567 -7.187541 1 889 1 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 0 12.086282 -4.87002 -6.185528 1 890 1 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 0 8.208685 -4.609063 -12.3691845 1 891 1 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 0 7.950015 -4.0126686 -13.675787 1 892 1 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 0 9.28882 -3.5967393 -14.287192 1 893 1 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 0 9.539997 -3.805612 -15.465124 1 894 1 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 0 7.0133247 -2.7881832 -13.561866 1 895 1 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 0 6.976468 -2.0183578 -14.87933 1 896 1 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 0 5.6063223 -3.2413845 -13.169792 1 897 1 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 0 10.148372 -3.0453222 -13.429745 1 898 1 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 0 11.51186 -2.6706362 -13.80107 1 899 1 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 0 12.374777 -2.9067056 -12.564259 1 900 1 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 0 12.4433775 -2.0587966 -11.678938 1 901 1 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 0 11.557104 -1.2025588 -14.237219 1 902 1 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 0 12.923817 -0.77707446 -14.763218 1 903 1 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 0 13.937124 -1.391612 -14.378104 1 904 1 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 0 12.978283 0.19180308 -15.556764 1 905 1 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 0 13.009601 -4.077734 -12.520325 1 906 1 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 0 13.740765 -4.5261154 -11.3534775 1 907 1 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 0 14.889263 -3.600651 -10.970069 1 908 1 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 0 15.082764 -3.3023481 -9.790171 1 909 1 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 0 14.268662 -5.9424777 -11.594404 1 910 1 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 0 14.911802 -6.5967484 -10.396481 1 911 1 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 0 15.330985 -8.0049715 -10.763824 1 912 1 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 0 16.018116 -8.706773 -9.610577 1 913 1 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 0 16.433777 -10.068422 -9.989711 1 914 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 15.635165 -3.1444783 -11.959114 1 915 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 16.770943 -2.2629416 -11.713364 1 916 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 16.348793 -0.9162584 -11.136256 1 917 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 17.090723 -0.30803072 -10.380854 1 918 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 17.580463 -2.0480752 -12.997963 1 919 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 18.198517 -3.3248587 -13.52318 1 920 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 18.695555 -4.1317997 -12.70476 1 921 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 18.179714 -3.531777 -14.753857 1 922 1 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 0 15.161872 -0.4746196 -11.497303 1 923 1 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 0 14.645841 0.79894286 -11.023689 1 924 1 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 0 13.829017 0.65091074 -9.740624 1 925 1 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 0 13.5177 1.6514776 -9.070564 1 926 1 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 0 13.796024 1.4596989 -12.106928 1 927 1 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 0 13.564187 2.9494429 -11.871864 1 928 1 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 0 13.027288 3.648434 -13.114539 1 929 1 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 0 13.079187 5.1599193 -12.950569 1 930 1 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 0 14.471268 5.6232224 -12.664736 1 931 1 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 0 13.484846 -0.5761081 -9.374066 1 932 1 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 0 12.699598 -0.8293773 -8.174734 1 933 1 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 0 11.206091 -0.6445679 -8.368856 1 934 1 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 0 10.472931 -0.45107788 -7.3961163 1 935 1 +ATOM N N . THR C0 3 34 . 34 THR C0 N 0 10.758547 -0.7151459 -9.619173 1 936 1 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 0 9.347344 -0.5121866 -9.929157 1 937 1 +ATOM C C . THR C0 3 34 . 34 THR C0 C 0 8.602108 -1.8416651 -9.910496 1 938 1 +ATOM O O . THR C0 3 34 . 34 THR C0 O 0 9.032151 -2.8051372 -10.545813 1 939 1 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 0 9.172226 0.15538427 -11.306569 1 940 1 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 0 9.988583 1.3306811 -11.36602 1 941 1 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 0 7.7194514 0.5366397 -11.542455 1 942 1 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 0 7.4967284 -1.9005251 -9.167258 1 943 1 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 0 6.7211475 -3.127956 -9.046702 1 944 1 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 0 5.230295 -2.8576381 -9.216148 1 945 1 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 0 4.7821016 -1.7150434 -9.138945 1 946 1 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 0 6.9983206 -3.8170607 -7.698215 1 947 1 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 0 6.6380644 -2.9814415 -6.492154 1 948 1 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 0 7.506024 -2.0021057 -6.0247045 1 949 1 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 0 5.4366198 -3.1753156 -5.8252316 1 950 1 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 0 7.1782036 -1.2338855 -4.9078794 1 951 1 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 0 5.1078835 -2.4207113 -4.7082634 1 952 1 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 0 5.980811 -1.447634 -4.2485695 1 953 1 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 0 4.473754 -3.9231818 -9.469817 1 954 1 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 0 3.053491 -3.7707906 -9.758782 1 955 1 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 0 2.2181573 -4.889859 -9.154562 1 956 1 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 0 2.6559386 -6.0408316 -9.091764 1 957 1 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 0 2.8378272 -3.732537 -11.266323 1 958 1 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 0 1.3982565 -3.453272 -11.696003 1 959 1 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 0 1.2640626 -3.2165978 -13.190916 1 960 1 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 0 0.999536 -2.1063626 -13.65319 1 961 1 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 0 1.4845672 -4.273638 -13.958635 1 962 1 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 0 1.0198431 -4.539503 -8.686131 1 963 1 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 0 0.074187726 -5.511926 -8.144494 1 964 1 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 0 -0.8762759 -6.004122 -9.229985 1 965 1 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 0 -1.2059603 -5.2670126 -10.159017 1 966 1 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 0 -0.7637305 -4.893344 -7.0199575 1 967 1 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 0 0.021070741 -4.509153 -5.7998495 1 968 1 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 0 0.34317487 -3.177847 -5.562966 1 969 1 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 0 0.43029803 -5.473151 -4.895589 1 970 1 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 0 1.0693865 -2.8146598 -4.438486 1 971 1 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 0 1.1565762 -5.118286 -3.7670074 1 972 1 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 0 1.4761534 -3.7900348 -3.5360003 1 973 1 +ATOM N N . SER C0 3 38 . 38 SER C0 N 0 -1.3294431 -7.245821 -9.095627 1 974 1 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 0 -2.3499353 -7.7986326 -9.976379 1 975 1 +ATOM C C . SER C0 3 38 . 38 SER C0 C 0 -3.730365 -7.2928286 -9.567371 1 976 1 +ATOM O O . SER C0 3 38 . 38 SER C0 O 0 -4.0299497 -7.2207184 -8.3734865 1 977 1 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 0 -2.32598 -9.324316 -9.917629 1 978 1 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 0 -3.5259233 -9.875368 -10.420149 1 979 1 +ATOM N N . SER C0 3 39 . 39 SER C0 N 0 -4.5752945 -6.9708085 -10.52178 1 980 1 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 0 -5.9546466 -6.573086 -10.228222 1 981 1 +ATOM C C . SER C0 3 39 . 39 SER C0 C 0 -6.7208304 -7.7052164 -9.546047 1 982 1 +ATOM O O . SER C0 3 39 . 39 SER C0 O 0 -7.444358 -7.479347 -8.577467 1 983 1 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 0 -6.6878657 -6.174957 -11.510852 1 984 1 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 0 -6.162538 -4.9662433 -12.043169 1 985 1 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 0 -6.5418057 -8.924067 -10.053057 1 986 1 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 0 -7.3091226 -10.074685 -9.581421 1 987 1 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 0 -6.7886252 -10.689217 -8.286282 1 988 1 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 0 -7.575618 -11.259584 -7.526114 1 989 1 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 0 -7.3761635 -11.149909 -10.666685 1 990 1 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 0 -8.221867 -10.737619 -11.861996 1 991 1 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 0 -8.3461685 -11.852585 -12.873378 1 992 1 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 0 -9.185653 -11.401594 -14.058953 1 993 1 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 0 -9.427693 -12.518193 -15.01786 1 994 1 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 0 -5.4961967 -10.604183 -8.034233 1 995 1 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 0 -4.915184 -11.323936 -6.906591 1 996 1 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 0 -4.3183546 -10.442251 -5.809412 1 997 1 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 0 -3.677988 -10.954214 -4.8898964 1 998 1 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 0 -3.8639424 -12.320892 -7.4190083 1 999 1 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 0 -4.408473 -13.256247 -8.44481 1 1000 1 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 0 -4.137877 -13.130107 -9.794812 1 1001 1 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 0 -5.228503 -14.326736 -8.342968 1 1002 1 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 0 -4.7733736 -14.079664 -10.468534 1 1003 1 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 0 -5.44736 -14.821141 -9.597467 1 1004 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 -4.5371203 -9.144677 -5.8825393 1 1005 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 -3.9908912 -8.22876 -4.8846455 1 1006 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 -4.574292 -8.434517 -3.487794 1 1007 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 -3.8806386 -8.224239 -2.491298 1 1008 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 -4.1814265 -6.769207 -5.322613 1 1009 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 -5.617574 -6.362337 -5.5422835 1 1010 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 -5.6913514 -4.941765 -6.0945377 1 1011 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 -7.118155 -4.4346495 -6.2740517 1 1012 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 -7.8073044 -5.1077375 -7.372732 1 1013 1 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 0 -5.8204126 -8.864048 -3.399825 1 1014 1 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 0 -6.453988 -9.082376 -2.1078038 1 1015 1 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 0 -5.817851 -10.238747 -1.3392997 1 1016 1 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 0 -5.727839 -10.184462 -0.108951434 1 1017 1 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 0 -7.962515 -9.328119 -2.270115 1 1018 1 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 0 -8.743664 -8.151099 -2.864726 1 1019 1 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 0 -8.758238 -6.9153156 -1.9758577 1 1020 1 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 0 -9.165518 -5.839156 -2.4630876 1 1021 1 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 0 -8.355475 -7.0190134 -0.78449035 1 1022 1 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 0 -5.379902 -11.269047 -2.0534892 1 1023 1 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 0 -4.713304 -12.403915 -1.4135544 1 1024 1 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 0 -3.4286013 -11.945681 -0.7198999 1 1025 1 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 0 -3.1511674 -12.337654 0.41765738 1 1026 1 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 0 -4.3953495 -13.482099 -2.4441638 1 1027 1 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 0 -2.6721265 -11.112351 -1.398025 1 1028 1 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 0 -1.4450455 -10.581126 -0.82743585 1 1029 1 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 0 -1.7358121 -9.686714 0.37670177 1 1030 1 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 0 -1.0730429 -9.792357 1.4083173 1 1031 1 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 0 -0.65317094 -9.809055 -1.8907418 1 1032 1 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 0 0.74323857 -9.324236 -1.492652 1 1033 1 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 0 1.6432602 -9.275057 -2.718395 1 1034 1 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 0 0.7122665 -7.983217 -0.79384327 1 1035 1 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 0 -2.738207 -8.81764 0.24031542 1 1036 1 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 0 -3.1127896 -7.920694 1.3247035 1 1037 1 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 0 -3.5496569 -8.703856 2.5599322 1 1038 1 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 0 -3.191555 -8.357908 3.685709 1 1039 1 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 0 -4.2247205 -6.97653 0.87294626 1 1040 1 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 0 -4.3072653 -9.766096 2.3411212 1 1041 1 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 0 -4.771436 -10.605642 3.4434361 1 1042 1 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 0 -3.5941865 -11.261898 4.169551 1 1043 1 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 0 -3.5719495 -11.317581 5.4013596 1 1044 1 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 0 -5.7584114 -11.659028 2.9292707 1 1045 1 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 0 -6.460392 -12.393421 4.0352154 1 1046 1 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 0 -7.107897 -13.599806 3.8345785 1 1047 1 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 0 -6.63323 -12.104474 5.3421416 1 1048 1 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 0 -7.6482205 -14.006397 4.9723473 1 1049 1 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 0 -7.359144 -13.118439 5.916808 1 1050 1 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 0 -2.6021457 -11.730284 3.4221463 1 1051 1 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 0 -1.4217746 -12.319662 4.037181 1 1052 1 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 0 -0.6912592 -11.287188 4.8890004 1 1053 1 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 0 -0.19915271 -11.605267 5.970673 1 1054 1 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 0 -0.46898168 -12.88486 2.9820528 1 1055 1 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 0 0.84305084 -13.368634 3.5946674 1 1056 1 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 0 1.8553491 -13.737101 2.5476313 1 1057 1 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 0 1.7302728 -15.114 2.117694 1 1058 1 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 0 2.5753174 -15.714349 1.2969134 1 1059 1 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 0 2.3852913 -16.979122 0.964772 1 1060 1 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 0 3.6259708 -15.061584 0.8188457 1 1061 1 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 0 -0.6228189 -10.07077 4.400761 1 1062 1 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 0 -0.0060829096 -8.988996 5.168096 1 1063 1 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 0 -0.7306442 -8.832289 6.5039444 1 1064 1 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 0 -0.0857172 -8.714893 7.552611 1 1065 1 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 0 -0.03875014 -7.6838017 4.369254 1 1066 1 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 0 0.3769891 -6.450969 5.123605 1 1067 1 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 0 -0.33100432 -5.2905197 5.2439723 1 1068 1 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 0 1.5898414 -6.239892 5.862827 1 1069 1 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 0 0.35655996 -4.378956 5.994502 1 1070 1 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 0 1.5457981 -4.9320354 6.392257 1 1071 1 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 0 2.710888 -7.031296 6.129308 1 1072 1 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 0 2.578446 -4.395984 7.173415 1 1073 1 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 0 3.745553 -6.499666 6.9075794 1 1074 1 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 0 3.6604989 -5.1964636 7.4124374 1 1075 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 -2.0546083 -8.842812 6.4791985 1 1076 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 -2.842753 -8.723076 7.7013946 1 1077 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 -2.605577 -9.862465 8.675928 1 1078 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 -2.4951386 -9.641595 9.885166 1 1079 1 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 0 -2.5313594 -11.08777 8.1659355 1 1080 1 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 0 -2.2728527 -12.262735 9.001375 1 1081 1 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 0 -0.92555755 -12.117315 9.704435 1 1082 1 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 0 -0.8166209 -12.344606 10.9073715 1 1083 1 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 0 -2.2788405 -13.558285 8.156597 1 1084 1 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 0 -3.6661854 -13.801331 7.561639 1 1085 1 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 0 -1.8418114 -14.749386 9.008896 1 1086 1 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 0 -3.681741 -14.884531 6.490632 1 1087 1 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 0 0.08373982 -11.724194 8.943539 1 1088 1 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 0 1.4213247 -11.557035 9.483681 1 1089 1 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 0 1.4775257 -10.50906 10.598315 1 1090 1 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 0 2.1512818 -10.713317 11.605206 1 1091 1 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 0 2.3907492 -11.186755 8.367426 1 1092 1 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 0 3.8012366 -10.942104 8.867462 1 1093 1 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 0 4.8312893 -11.079861 7.761181 1 1094 1 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 0 4.5389643 -11.592061 6.6738462 1 1095 1 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 0 6.043123 -10.626061 8.030891 1 1096 1 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 0 0.7816027 -9.400971 10.40798 1 1097 1 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 0 0.770504 -8.328689 11.41049 1 1098 1 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 0 -0.104662426 -8.660216 12.626336 1 1099 1 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 0 -0.01541795 -7.975492 13.652912 1 1100 1 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 0 0.29850844 -7.022678 10.786811 1 1101 1 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 0 1.2757969 -6.3899994 9.796688 1 1102 1 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 0 2.5052295 -5.7961187 10.489028 1 1103 1 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 0 2.1925683 -4.6644917 11.468492 1 1104 1 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 0 2.18746 -3.374824 10.794453 1 1105 1 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 0 -0.922583 -9.68449 12.5292425 1 1106 1 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 0 -1.8254523 -10.040673 13.61648 1 1107 1 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 0 -2.935904 -9.030062 13.816269 1 1108 1 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 0 -3.3792734 -8.819357 14.942419 1 1109 1 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 0 -3.3636217 -8.405697 12.720448 1 1110 1 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 0 -4.448201 -7.435317 12.785504 1 1111 1 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 0 -5.727131 -8.101299 13.243587 1 1112 1 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 0 -5.9590893 -9.278736 12.973329 1 1113 1 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 0 -4.679305 -6.7773533 11.410278 1 1114 1 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 0 -3.516282 -5.903224 10.972588 1 1115 1 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 0 -3.3552623 -5.620654 9.778145 1 1116 1 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 0 -2.695015 -5.453577 11.920126 1 1117 1 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 0 -6.5601716 -7.3370814 13.953634 1 1118 1 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 0 -7.820859 -7.8772345 14.468933 1 1119 1 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 0 -8.849003 -8.010149 13.3564 1 1120 1 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 0 -9.634125 -8.954834 13.343522 1 1121 1 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 0 -8.30574 -6.9854293 15.611215 1 1122 1 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 0 -9.763797 -6.676151 15.663994 1 1123 1 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 0 -10.086038 -5.9268837 16.940731 1 1124 1 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 0 -11.530594 -6.0263996 17.254452 1 1125 1 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 0 -12.089717 -7.0809736 17.861713 1 1126 1 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 0 -11.35243 -8.119108 18.214876 1 1127 1 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 0 -13.381311 -7.080517 18.10017 1 1128 1 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 0 -8.825617 -7.0848274 12.411544 1 1129 1 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 0 -9.72316 -7.136015 11.25614 1 1130 1 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 0 -8.98402 -7.590868 10.0053005 1 1131 1 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 0 -7.75543 -7.5600414 9.954374 1 1132 1 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 0 -10.368814 -5.7718797 11.012435 1 1133 1 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 0 -11.297283 -5.3158364 12.117428 1 1134 1 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 0 -12.26597 -4.244903 11.6131 1 1135 1 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 0 -13.36523 -4.8582945 10.775675 1 1136 1 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 0 -14.436618 -3.8802686 10.425753 1 1137 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 -9.727043 -7.9869223 8.99826 1 1138 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 -9.152181 -8.445227 7.740969 1 1139 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 -8.520011 -7.290389 6.965351 1 1140 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 -9.110422 -6.2107716 6.858076 1 1141 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 -10.218868 -9.119823 6.88139 1 1142 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 -9.6573515 -9.798616 5.64874 1 1143 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 -10.774065 -10.39092 4.798317 1 1144 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 -10.233061 -10.917006 3.4816456 1 1145 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 -11.312089 -11.421086 2.5934935 1 1146 1 +ATOM N N . MET C0 3 59 . 59 MET C0 N 0 -7.3149376 -7.539965 6.4340186 1 1147 1 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 0 -6.6117153 -6.536252 5.644758 1 1148 1 +ATOM C C . MET C0 3 59 . 59 MET C0 C 0 -7.086338 -6.6034036 4.1973343 1 1149 1 +ATOM O O . MET C0 3 59 . 59 MET C0 O 0 -7.2643294 -7.691798 3.6429496 1 1150 1 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 0 -5.0966167 -6.7669125 5.7113695 1 1151 1 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 0 -4.2600813 -5.8099136 4.8532305 1 1152 1 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 0 -4.4460692 -4.058214 5.2880735 1 1153 1 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 0 -3.8137405 -4.0591955 6.9748516 1 1154 1 +ATOM N N . THR C0 3 60 . 60 THR C0 N 0 -7.3132353 -5.44004 3.5935783 1 1155 1 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 0 -7.7322245 -5.341363 2.2016253 1 1156 1 +ATOM C C . THR C0 3 60 . 60 THR C0 C 0 -6.6672087 -4.592223 1.4119227 1 1157 1 +ATOM O O . THR C0 3 60 . 60 THR C0 O 0 -5.8309693 -3.8938513 1.9933543 1 1158 1 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 0 -9.061075 -4.5748806 2.053275 1 1159 1 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 0 -8.865709 -3.2315097 2.515203 1 1160 1 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 0 -10.169773 -5.2422676 2.8640676 1 1161 1 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 0 -6.697055 -4.7194247 0.08813752 1 1162 1 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 0 -5.7566843 -3.969277 -0.7312108 1 1163 1 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 0 -5.9386506 -2.4625235 -0.51366913 1 1164 1 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 0 -4.9643154 -1.7050071 -0.45456922 1 1165 1 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 0 -5.9010634 -4.296253 -2.222228 1 1166 1 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 0 -5.0130568 -3.3999405 -3.06332 1 1167 1 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 0 -5.533739 -2.2846804 -3.7232752 1 1168 1 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 0 -3.6439312 -3.6316013 -3.1431499 1 1169 1 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 0 -4.7067237 -1.4312037 -4.4455094 1 1170 1 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 0 -2.8137617 -2.783058 -3.8631096 1 1171 1 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 0 -3.3526216 -1.687603 -4.5051327 1 1172 1 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 0 -2.5342336 -0.83981836 -5.2163296 1 1173 1 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 0 -7.1857004 -2.0341682 -0.3736358 1 1174 1 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 0 -7.481084 -0.61935914 -0.18318376 1 1175 1 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 0 -6.7458906 -0.051139742 1.0371265 1 1176 1 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 0 -6.1487865 1.027749 0.9695601 1 1177 1 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 0 -8.981687 -0.4177617 -0.037541773 1 1178 1 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 0 -9.41228 1.040936 -0.12900236 1 1179 1 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 0 -10.915619 1.2023263 -0.11814347 1 1180 1 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 0 -11.535943 1.2433593 0.9479421 1 1181 1 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 0 -11.516361 1.2741189 -1.2973057 1 1182 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 -6.7950892 -0.77532476 2.165865 1 1183 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 -6.1115885 -0.33012882 3.376387 1 1184 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 -4.5955343 -0.42700404 3.242867 1 1185 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 -3.8662548 0.4235878 3.7568886 1 1186 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 -6.6046863 -1.1162552 4.594388 1 1187 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 -8.004921 -0.7058482 5.052695 1 1188 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 -8.392566 -1.3571632 6.384551 1 1189 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 -8.621038 -2.8626587 6.2403574 1 1190 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 -9.038761 -3.4612293 7.516013 1 1191 1 +ATOM N N . MET C0 3 64 . 64 MET C0 N 0 -4.1145053 -1.46458 2.5696828 1 1192 1 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 0 -2.680693 -1.6068234 2.3587337 1 1193 1 +ATOM C C . MET C0 3 64 . 64 MET C0 C 0 -2.1595063 -0.45164204 1.5022532 1 1194 1 +ATOM O O . MET C0 3 64 . 64 MET C0 O 0 -1.0945939 0.098599926 1.7722573 1 1195 1 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 0 -2.3499024 -2.9487667 1.7017767 1 1196 1 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 0 -0.85949975 -3.2809186 1.7587719 1 1197 1 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 0 -0.46368372 -4.9330606 1.1203163 1 1198 1 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 0 -0.8707845 -4.715635 -0.6053096 1 1199 1 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 0 -2.952545 -0.082166925 0.48124596 1 1200 1 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 0 -2.5845034 1.037252 -0.37929377 1 1201 1 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 0 -2.5719323 2.3502245 0.39309546 1 1202 1 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 0 -1.7347345 3.2199156 0.14415467 1 1203 1 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 0 -3.5400367 1.1304777 -1.5655955 1 1204 1 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 0 -3.5171938 2.502091 1.3399411 1 1205 1 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 0 -3.5452623 3.6805606 2.2000418 1 1206 1 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 0 -2.2200437 3.8001494 2.9733138 1 1207 1 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 0 -1.6461669 4.896812 3.0572925 1 1208 1 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 0 -4.747138 3.5970235 3.161541 1 1209 1 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 0 -4.7751446 4.6333885 4.301198 1 1210 1 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 0 -5.320031 5.9917088 3.857031 1 1211 1 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 0 -4.203756 6.89124 3.5746589 1 1212 1 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 0 -3.8588643 7.9061155 4.3290777 1 1213 1 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 0 -2.8156328 8.637833 3.999037 1 1214 1 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 0 -4.553447 8.187837 5.443251 1 1215 1 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 0 -1.7533976 2.6897125 3.5079732 1 1216 1 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 0 -0.48984802 2.665487 4.2364073 1 1217 1 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 0 0.68564606 2.9323921 3.2924712 1 1218 1 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 0 1.615114 3.67916 3.6273594 1 1219 1 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 0 -0.305862 1.3207977 4.9330044 1 1220 1 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 0 0.62221867 2.315436 2.1084943 1 1221 1 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 0 1.6445048 2.4861789 1.0842941 1 1222 1 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 0 1.78954 3.9501228 0.68026495 1 1223 1 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 0 2.8985095 4.4529195 0.5183923 1 1224 1 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 0 1.2645009 1.6406529 -0.12655458 1 1225 1 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 0 2.2063148 0.6416633 -0.79373425 1 1226 1 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 0 1.3625109 -0.46836233 -1.4079076 1 1227 1 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 0 3.2643175 0.10495809 0.12754403 1 1228 1 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 0 0.6405442 4.6265965 0.5381386 1 1229 1 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 0 0.6558486 6.040632 0.16050628 1 1230 1 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 0 1.4195154 6.897887 1.1620619 1 1231 1 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 0 2.0652683 7.8790455 0.78490406 1 1232 1 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 0 -0.76753545 6.582064 0.016728979 1 1233 1 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 0 -1.3253784 6.5093822 -1.379313 1 1234 1 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 0 -2.6039891 7.3330374 -1.5447984 1 1235 1 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 0 -3.6459665 7.062107 -0.5608346 1 1236 1 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 0 -4.5167103 6.0605307 -0.61763096 1 1237 1 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 0 -4.47661 5.189701 -1.6089209 1 1238 1 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 0 -5.4380283 5.927681 0.32624274 1 1239 1 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 0 1.3617742 6.529023 2.4411244 1 1240 1 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 0 2.0822372 7.27952 3.4692202 1 1241 1 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 0 3.5997238 7.2229815 3.2732 1 1242 1 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 0 4.3181167 8.121111 3.7137609 1 1243 1 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 0 1.707202 6.7843513 4.8741875 1 1244 1 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 0 0.29648155 7.1821756 5.280446 1 1245 1 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 0 -0.30820423 6.5684304 6.1660657 1 1246 1 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 0 -0.2431322 8.2110195 4.6432185 1 1247 1 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 0 4.086143 6.1665554 2.61479 1 1248 1 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 0 5.5079856 6.063393 2.3176026 1 1249 1 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 0 5.969781 7.1439257 1.332058 1 1250 1 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 0 7.1623735 7.4223413 1.2319908 1 1251 1 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 0 5.8575764 4.686494 1.7598159 1 1252 1 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 0 5.8805637 3.5780497 2.7783422 1 1253 1 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 0 5.2829127 2.3496747 2.506753 1 1254 1 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 0 6.541492 3.7305346 3.9926887 1 1255 1 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 0 5.3265414 1.3119683 3.420874 1 1256 1 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 0 6.585173 2.6977105 4.9197702 1 1257 1 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 0 5.981059 1.4924774 4.6240754 1 1258 1 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 0 6.0279512 0.46577147 5.5207644 1 1259 1 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 0 5.012811 7.743695 0.62913156 1 1260 1 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 0 5.3297215 8.853129 -0.25977212 1 1261 1 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 0 5.7939134 10.07954 0.5094181 1 1262 1 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 0 6.635541 10.841452 0.032195136 1 1263 1 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 0 5.2411795 10.2636385 1.7153778 1 1264 1 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 0 5.637411 11.378456 2.5748458 1 1265 1 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 0 6.9979687 11.129873 3.2221775 1 1266 1 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 0 7.7436943 12.076424 3.4834511 1 1267 1 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 0 4.6029534 11.628008 3.6619425 1 1268 1 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 0 3.2215471 12.022907 3.1537423 1 1269 1 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 0 3.1792557 13.428415 2.5539196 1 1270 1 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 0 3.510261 14.554472 3.5328376 1 1271 1 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 0 2.3736353 14.851622 4.4604583 1 1272 1 +ATOM N N . THR C0 3 74 . 74 THR C0 N 0 7.3120346 9.866505 3.4978526 1 1273 1 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 0 8.549511 9.50363 4.196051 1 1274 1 +ATOM C C . THR C0 3 74 . 74 THR C0 C 0 9.619289 8.918199 3.2719536 1 1275 1 +ATOM O O . THR C0 3 74 . 74 THR C0 O 0 10.744069 8.66895 3.7094488 1 1276 1 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 0 8.264629 8.50881 5.338508 1 1277 1 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 0 7.585006 7.369295 4.8169074 1 1278 1 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 0 7.388592 9.162138 6.411062 1 1279 1 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 0 9.27955 8.707896 1.9970316 1 1280 1 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 0 10.253366 8.387964 0.97212434 1 1281 1 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 0 10.660557 6.9391336 0.7549795 1 1282 1 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 0 11.56279 6.6770124 -0.044239003 1 1283 1 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 0 10.034178 5.966533 1.4299386 1 1284 1 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 0 10.411401 4.5631547 1.2534094 1 1285 1 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 0 9.847788 3.982137 -0.040627845 1 1286 1 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 0 10.508062 3.1658847 -0.7021272 1 1287 1 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 0 9.955418 3.7096121 2.4477768 1 1288 1 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 0 10.655759 4.0761585 3.7655437 1 1289 1 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 0 9.833041 5.0325913 4.6009817 1 1290 1 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 0 9.009927 5.8011127 4.0353203 1 1291 1 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 0 9.995161 5.0439215 5.8339214 1 1292 1 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 0 8.637571 4.35466 -0.39768183 1 1293 1 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 0 7.959242 3.9116352 -1.6078956 1 1294 1 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 0 7.197206 5.0891943 -2.1975594 1 1295 1 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 0 6.6271877 5.8877144 -1.4549222 1 1296 1 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 0 6.958447 2.7659216 -1.32161 1 1297 1 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 0 6.2154627 2.3574543 -2.5925279 1 1298 1 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 0 7.6730347 1.5549963 -0.72786605 1 1299 1 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 0 7.1902337 5.215567 -3.507516 1 1300 1 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 0 6.4270525 6.260935 -4.180894 1 1301 1 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 0 5.478201 5.6550856 -5.193205 1 1302 1 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 0 5.746581 4.5956407 -5.758583 1 1303 1 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 0 7.358386 7.2727537 -4.83568 1 1304 1 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 0 8.120998 8.095583 -3.8147662 1 1305 1 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 0 9.046148 9.09979 -4.462891 1 1306 1 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 0 9.794099 9.875149 -3.3895125 1 1307 1 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 0 10.706957 10.88696 -4.0029216 1 1308 1 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 0 4.360837 6.329562 -5.413375 1 1309 1 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 0 3.3849492 5.9095097 -6.4063272 1 1310 1 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 0 3.8974133 6.29679 -7.785183 1 1311 1 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 0 4.4281893 7.3920207 -7.9492474 1 1312 1 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 0 2.0477934 6.597793 -6.1358457 1 1313 1 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 0 0.8914055 6.1472654 -7.031364 1 1314 1 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 0 0.55801547 4.679619 -6.8396025 1 1315 1 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 0 -0.6752646 4.279776 -7.6540384 1 1316 1 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 0 -0.6024441 2.8776207 -8.087731 1 1317 1 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 0 3.795641 5.4010587 -8.795767 1 1318 1 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 0 4.091425 5.8126597 -10.161531 1 1319 1 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 0 2.7710047 5.937601 -10.909203 1 1320 1 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 0 1.7943625 5.281828 -10.568468 1 1321 1 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 0 5.1643963 4.933448 -10.879831 1 1322 1 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 0 5.854094 4.001529 -9.924955 1 1323 1 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 0 4.578293 4.200148 -12.078404 1 1324 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 2.7322984 6.829466 -11.897287 1 1325 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 1.4802136 7.159326 -12.578768 1 1326 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 1.0523918 6.063175 -13.540535 1 1327 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 0.9556191 6.2651935 -14.747187 1 1328 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 1.5960526 8.532541 -13.278968 1 1329 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 1.5637616 9.674025 -12.2863655 1 1330 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 2.465016 10.852495 -12.714359 1 1331 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 3.8861465 10.392201 -13.038412 1 1332 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 4.6190557 9.771529 -11.885495 1 1333 1 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 0 0.83220255 4.879847 -12.975503 1 1334 1 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 0 0.38163435 3.7219143 -13.722455 1 1335 1 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 0 -0.44538468 2.8684514 -12.7685375 1 1336 1 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 0 -0.1295729 2.7840395 -11.577032 1 1337 1 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 0 1.5783932 2.9363585 -14.27108 1 1338 1 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 0 1.2834605 2.1561565 -15.5251045 1 1339 1 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 0 2.545114 2.036649 -16.402187 1 1340 1 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 0 3.4309895 0.8787365 -15.988483 1 1341 1 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 0 2.7250385 -0.4341778 -16.11348 1 1342 1 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 0 -1.5084164 2.2697914 -13.277313 1 1343 1 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 0 -2.4374642 1.516416 -12.4619465 1 1344 1 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 0 -1.7447561 0.43209472 -11.6346245 1 1345 1 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 0 -1.0442863 -0.42484754 -12.186862 1 1346 1 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 0 -3.5109632 0.89033103 -13.35667 1 1347 1 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 0 -4.6968756 0.2860164 -12.62404 1 1348 1 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 0 -5.746007 -0.15082084 -13.638869 1 1349 1 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 0 -6.8705535 -0.93802273 -12.980468 1 1350 1 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 0 -7.840541 -1.4156696 -13.977335 1 1351 1 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 0 -1.9004633 0.50876534 -10.309519 1 1352 1 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 0 -1.3797623 -0.4782077 -9.366723 1 1353 1 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 0 0.14546554 -0.5781707 -9.336113 1 1354 1 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 0 0.67939967 -1.5674305 -8.826778 1 1355 1 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 0 -1.9863784 -1.8614266 -9.650459 1 1356 1 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 0 -3.5137825 -1.9426135 -9.460784 1 1357 1 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 0 -4.070957 -3.1604161 -10.178277 1 1358 1 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 0 -3.8514032 -2.0059967 -7.9680676 1 1359 1 +ATOM N N . THR C0 3 85 . 85 THR C0 N 0 0.8573365 0.4212765 -9.832897 1 1360 1 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 0 2.3045216 0.31474105 -9.815554 1 1361 1 +ATOM C C . THR C0 3 85 . 85 THR C0 C 0 2.969988 1.338854 -8.876648 1 1362 1 +ATOM O O . THR C0 3 85 . 85 THR C0 O 0 2.5535588 2.4977148 -8.776339 1 1363 1 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 0 2.9479847 0.22154066 -11.237868 1 1364 1 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 0 3.865527 1.2822032 -11.451733 1 1365 1 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 0 1.9252506 0.13669124 -12.325237 1 1366 1 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 0 3.9687104 0.85331625 -8.136456 1 1367 1 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 0 4.6942673 1.5991104 -7.1241164 1 1368 1 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 0 6.1868215 1.4566326 -7.358333 1 1369 1 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 0 6.620038 0.68493545 -8.218586 1 1370 1 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 0 4.3315773 1.099711 -5.7232084 1 1371 1 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 0 2.93579 1.4762852 -5.276103 1 1372 1 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 0 1.8212724 0.7691393 -5.7179646 1 1373 1 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 0 2.72371 2.5429385 -4.409872 1 1374 1 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 0 0.5373408 1.1156926 -5.3153553 1 1375 1 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 0 1.4463356 2.8980744 -3.996121 1 1376 1 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 0 0.36074954 2.181168 -4.454738 1 1377 1 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 0 -0.9048721 2.533409 -4.053629 1 1378 1 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 0 6.989149 2.1902192 -6.5866604 1 1379 1 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 0 8.433109 2.1668751 -6.7773495 1 1380 1 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 0 9.188347 2.3009467 -5.45778 1 1381 1 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 0 8.965418 3.251308 -4.703569 1 1382 1 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 0 8.8494835 3.2748184 -7.7384443 1 1383 1 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 0 10.318077 3.2589612 -8.097696 1 1384 1 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 0 10.678474 4.353326 -9.083766 1 1385 1 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 0 9.874468 5.242263 -9.372523 1 1386 1 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 0 11.888861 4.296091 -9.619517 1 1387 1 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 0 10.101683 1.3531001 -5.177795 1 1388 1 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 0 10.959658 1.4181964 -3.9985042 1 1389 1 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 0 12.027969 2.4953485 -4.1798263 1 1390 1 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 0 12.51486 2.7067394 -5.294548 1 1391 1 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 0 11.672999 0.0810226 -3.770125 1 1392 1 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 0 10.793136 -1.0221637 -3.275699 1 1393 1 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 0 10.549086 -2.1351643 -4.071546 1 1394 1 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 0 10.225468 -0.956095 -2.0161097 1 1395 1 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 0 9.742368 -3.1732554 -3.6137142 1 1396 1 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 0 9.418819 -1.9930663 -1.546964 1 1397 1 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 0 9.178316 -3.0972207 -2.3470469 1 1398 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 12.383062 3.1587634 -3.091385 1 1399 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 13.488425 4.1100674 -3.1197357 1 1400 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 14.810755 3.3587022 -3.1746128 1 1401 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 14.872097 2.164704 -2.8651795 1 1402 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 13.461859 5.0010433 -1.8784112 1 1403 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 13.809382 4.248992 -0.72149974 1 1404 1 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 0 15.867503 4.066312 -3.5889826 1 1405 1 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 0 17.18978 3.4720278 -3.5949605 1 1406 1 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 0 17.613403 3.029983 -2.2081006 1 1407 1 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 0 18.287086 2.0147548 -2.0560465 1 1408 1 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 0 17.211613 3.7726312 -1.195176 1 1409 1 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 0 17.522625 3.4320445 0.19157001 1 1410 1 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 0 16.963413 2.0600317 0.5606845 1 1411 1 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 0 17.664875 1.2363651 1.154763 1 1412 1 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 0 16.961338 4.4928603 1.1443412 1 1413 1 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 0 17.054142 4.1316814 2.6190438 1 1414 1 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 0 16.42543 5.177473 3.5187705 1 1415 1 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 0 17.147957 6.092066 3.980098 1 1416 1 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 0 15.209509 5.1067786 3.7605307 1 1417 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 15.705561 1.8293748 0.22671902 1 1418 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 15.045437 0.56355476 0.5164917 1 1419 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 15.701784 -0.588608 -0.24476562 1 1420 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 15.76609 -1.7127187 0.24436371 1 1421 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 13.533754 0.641349 0.1931631 1 1422 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 12.901585 -0.7416579 0.13503411 1 1423 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 12.831832 1.5112385 1.2273115 1 1424 1 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 0 16.217308 -0.30491567 -1.4398754 1 1425 1 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 0 16.875198 -1.3031622 -2.2798915 1 1426 1 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 0 18.31718 -1.594683 -1.8592241 1 1427 1 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 0 18.957075 -2.4865718 -2.4202042 1 1428 1 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 0 16.85845 -0.8570654 -3.748814 1 1429 1 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 0 15.496391 -0.82304484 -4.4381704 1 1430 1 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 0 15.602354 -0.12817001 -5.7934666 1 1431 1 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 0 14.93712 -2.2295392 -4.599901 1 1432 1 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 0 18.825098 -0.8674362 -0.89871854 1 1433 1 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 0 20.187702 -1.0588604 -0.42363828 1 1434 1 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 0 21.241169 -0.5240365 -1.3695138 1 1435 1 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 0 22.281925 -1.158659 -1.5561223 1 1436 1 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 0 20.95311 0.6245584 -1.9661067 1 1437 1 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 0 21.864698 1.2379397 -2.9378128 1 1438 1 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 0 22.38884 2.6063337 -2.470553 1 1439 1 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 0 22.7513 3.446242 -3.3016605 1 1440 1 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 0 21.18169 1.4026377 -4.283094 1 1441 1 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 0 21.37616 0.18500948 -5.1591687 1 1442 1 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 0 20.882496 0.35885438 -6.582189 1 1443 1 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 0 19.433655 0.48089868 -6.6992817 1 1444 1 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 0 18.831266 1.4733285 -7.3651996 1 1445 1 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 0 17.510939 1.4964435 -7.4318614 1 1446 1 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 0 19.545593 2.4205256 -7.941475 1 1447 1 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 0 22.43575 2.8263092 -1.1723696 1 1448 1 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 0 22.958965 4.072448 -0.63238376 1 1449 1 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 0 24.442072 4.218766 -0.949156 1 1450 1 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 0 25.206005 3.2699533 -0.8259207 1 1451 1 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 0 24.806332 5.3982263 -1.3671783 1 1452 1 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 0 26.207203 5.6539197 -1.6895448 1 1453 1 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 0 26.498833 5.6943417 -3.1756754 1 1454 1 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 0 27.523045 6.2486854 -3.604587 1 1455 1 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 0 25.619991 5.085741 -3.982123 1 1456 1 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 0 25.79222 5.0832744 -5.435347 1 1457 1 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 0 25.77975 6.4975753 -5.987988 1 1458 1 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 0 26.57621 6.8417163 -6.8660593 1 1459 1 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 0 24.696228 4.2401915 -6.09708 1 1460 1 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 0 24.849495 3.971136 -7.6013412 1 1461 1 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 0 23.637451 3.1939223 -8.119202 1 1462 1 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 0 26.142586 3.2119136 -7.9066315 1 1463 1 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 0 24.888386 7.3269114 -5.467453 1 1464 1 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 0 24.79411 8.7273 -5.874945 1 1465 1 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 0 26.030083 9.525408 -5.4507294 1 1466 1 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 0 26.4455 10.459476 -6.140038 1 1467 1 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 0 23.535992 9.36717 -5.2987285 1 1468 1 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 0 26.623024 9.118261 -4.309124 1 1469 1 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 0 27.804626 9.788993 -3.7843676 1 1470 1 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 0 29.029968 9.617915 -4.6911 1 1471 1 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 0 29.896812 10.496172 -4.754359 1 1472 1 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 0 28.140915 9.263947 -2.385347 1 1473 1 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 0 27.071304 9.517606 -1.3410654 1 1474 1 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 0 27.383492 8.811073 -0.03111193 1 1475 1 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 0 26.456015 8.332691 0.627795 1 1476 1 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 0 28.577032 8.713127 0.32349572 1 1477 1 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 0 29.096148 8.451877 -5.3655944 1 1478 1 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 0 30.266228 8.122798 -6.1859026 1 1479 1 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 0 30.278318 8.843115 -7.529359 1 1480 1 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 0 31.29272 8.790493 -8.237144 1 1481 1 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 0 30.342602 6.6108866 -6.4080486 1 1482 1 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 0 30.638992 5.8238993 -5.12756 1 1483 1 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 0 31.012249 4.3757253 -5.4340878 1 1484 1 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 0 29.873867 3.5977294 -5.935374 1 1485 1 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 0 28.97128 2.9978313 -5.1537924 1 1486 1 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 0 29.051483 3.0953107 -3.833745 1 1487 1 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 0 27.972416 2.2967658 -5.6957192 1 1488 1 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 0 29.177979 9.542796 -7.9007607 1 1489 1 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 0 29.07156 10.189781 -9.206967 1 1490 1 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 0 29.651798 11.598554 -9.235802 1 1491 1 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 0 29.544224 12.341864 -8.261042 1 1492 1 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 0 27.598263 10.226212 -9.668347 1 1493 1 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 0 27.060276 8.867116 -10.03368 1 1494 1 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 0 25.564194 8.895485 -10.266373 1 1495 1 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 0 25.041042 7.534972 -10.391119 1 1496 1 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 0 23.903568 7.137435 -9.8763275 1 1497 1 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 0 23.499748 5.8837085 -10.012959 1 1498 1 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 0 23.139353 7.989139 -9.2126665 1 1499 1 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 0 30.272552 11.992561 -10.38418 1 1500 1 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 0 30.874039 13.316814 -10.605301 1 1501 1 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 0 30.314728 13.909447 -11.876868 1 1502 1 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 0 30.136843 13.168177 -12.870906 1 1503 1 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 0 32.407806 13.213039 -10.701102 1 1504 1 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 0 33.04943 12.512768 -9.524842 1 1505 1 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 0 32.90022 12.930315 -8.217714 1 1506 1 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 0 33.837894 11.421485 -9.531037 1 1507 1 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 0 33.56019 12.174176 -7.3975186 1 1508 1 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 0 34.180336 11.159586 -8.211037 1 1509 1 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 0 30.08565 15.209713 -11.900021 1 1510 1 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 0 30.120638 16.116077 -10.729147 1 1511 1 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 0 28.715193 16.291107 -10.197556 1 1512 1 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 0 28.178402 15.326506 -9.662832 1 1513 1 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 0 30.662947 17.423252 -11.288507 1 1514 1 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 0 30.509647 17.327879 -12.788363 1 1515 1 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 0 29.924347 16.005482 -13.124451 1 1516 1 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 0 28.03609 17.43341 -10.3042755 1 1517 1 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 0 26.58744 17.563095 -10.108552 1 1518 1 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 0 25.892517 17.250801 -11.426029 1 1519 1 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 0 26.501762 16.629574 -12.297188 1 1520 1 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 0 26.415989 19.043203 -9.720737 1 1521 1 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 0 27.565392 19.746899 -10.366558 1 1522 1 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 0 28.689886 18.755295 -10.417072 1 1523 1 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 0 24.625586 17.656979 -11.608875 1 1524 1 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 0 23.906519 17.40134 -12.847979 1 1525 1 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 0 24.683662 17.810942 -14.0846195 1 1526 1 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 0 25.408806 18.804806 -14.100649 1 1527 1 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 0 22.549694 18.099472 -12.836031 1 1528 1 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 0 21.453354 17.242756 -12.238649 1 1529 1 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 0 21.698421 15.973753 -11.783937 1 1530 1 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 0 20.144123 17.497597 -12.0347 1 1531 1 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 0 20.583855 15.453444 -11.299652 1 1532 1 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 0 19.605556 16.37001 -11.444581 1 1533 1 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 0 24.526367 17.073912 -15.075869 1 1534 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_3.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_3.cif new file mode 100644 index 0000000000000000000000000000000000000000..97f6216f04699bcc0496778195173996d738ac1d --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_3.cif @@ -0,0 +1,1861 @@ +data_8e3r-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 94.14 -13.326912 27.395668 -15.51408 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 96.09 -13.946823 28.14739 -14.36732 1 2 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 95.31 -13.981893 27.837326 -12.99823 1 3 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 95.31 -15.443795 28.362461 -14.981976 1 4 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 94.14 -13.230651 29.552467 -14.602137 1 5 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 95.7 -12.730412 30.44072 -13.7463455 1 6 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 97.66 -11.297232 30.35577 -13.270216 1 7 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 97.66 -11.364353 30.149853 -11.8260975 1 8 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 97.66 -10.345261 29.286064 -13.806806 1 9 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 97.66 -9.031145 29.827309 -13.918968 1 10 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 97.27 -10.410698 28.200169 -12.73592 1 11 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 98.05 -10.607 29.005043 -11.471316 1 12 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 98.05 -11.324198 28.284153 -10.414297 1 13 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 98.05 -12.533173 27.654312 -10.499833 1 14 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 98.05 -12.939179 27.115288 -9.377792 1 15 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 98.05 -11.929365 27.416298 -8.479838 1 16 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 98.05 -11.753954 27.129719 -7.1211114 1 17 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 97.66 -12.6447315 26.44514 -6.3926816 1 18 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 98.05 -10.620481 27.586632 -6.533353 1 19 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 97.66 -9.729555 28.27549 -7.263745 1 20 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 98.05 -9.783419 28.604391 -8.557074 1 21 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 98.05 -10.921644 28.138168 -9.111206 1 22 +ATOM P P . DA A0 1 2 . 2 DA A0 P 95.7 -7.8321137 29.211506 -14.650015 1 23 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 91.41 -8.332985 28.0474 -15.408071 1 24 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 87.89 -7.071191 30.28887 -15.339945 1 25 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 94.53 -6.943495 28.671478 -13.436682 1 26 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 95.31 -6.4059544 29.582964 -12.501329 1 27 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 96.88 -5.617921 28.85065 -11.445082 1 28 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 96.88 -6.52529 28.256523 -10.479056 1 29 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 96.88 -4.73612 27.727789 -11.968689 1 30 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 96.88 -3.448814 27.841446 -11.369842 1 31 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 96.48 -5.4750733 26.456793 -11.547836 1 32 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 97.27 -6.1973925 26.89819 -10.283397 1 33 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 97.27 -7.450493 26.201332 -9.982701 1 34 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 96.88 -8.465646 25.905533 -10.85367 1 35 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 96.88 -9.479361 25.291523 -10.296446 1 36 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 97.66 -9.111227 25.182043 -8.964985 1 37 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 96.88 -9.759669 24.626637 -7.849615 1 38 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 96.09 -10.971946 24.060047 -7.9069366 1 39 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 96.88 -9.121051 24.675549 -6.6635323 1 40 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 96.88 -7.912994 25.246305 -6.614144 1 41 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 97.27 -7.202648 25.802174 -7.59078 1 42 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 97.66 -7.8636985 25.734707 -8.754417 1 43 +ATOM P P . DT A0 1 3 . 3 DT A0 P 96.09 -2.2400963 26.835968 -11.778381 1 44 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 94.14 -2.6540575 26.000473 -12.930098 1 45 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 93.36 -0.99891245 27.66378 -11.85955 1 46 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 94.14 -2.1424463 25.898382 -10.500208 1 47 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 95.7 -2.4220176 26.440964 -9.225403 1 48 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 98.05 -2.406208 25.35015 -8.178847 1 49 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 97.66 -3.749433 24.840298 -7.957991 1 50 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 97.66 -1.5503383 24.138813 -8.5183 1 51 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 97.27 -0.8491034 23.758987 -7.3491635 1 52 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 97.27 -2.5635276 23.081133 -8.929636 1 53 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 98.05 -3.726018 23.432804 -8.025731 1 54 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 98.05 -5.0761275 22.98005 -8.454774 1 55 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 98.05 -5.9364967 22.536625 -7.4726453 1 56 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 97.66 -5.6475687 22.489847 -6.289328 1 57 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 98.05 -7.166177 22.143822 -7.9227314 1 58 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 97.66 -7.611888 22.155346 -9.231068 1 59 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 97.66 -8.750905 21.780685 -9.509148 1 60 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 98.05 -6.654752 22.62476 -10.208635 1 61 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 97.66 -7.0441437 22.670418 -11.658536 1 62 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 98.05 -5.450945 23.013882 -9.778665 1 63 +ATOM P P . DA A0 1 4 . 4 DA A0 P 96.48 0.26975715 22.642418 -7.363923 1 64 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 94.92 0.12317979 21.826805 -8.591312 1 65 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 94.53 1.5633256 23.302523 -7.057171 1 66 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 93.36 -0.14412348 21.73847 -6.123973 1 67 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 96.09 -1.0754383 22.21321 -5.1647367 1 68 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 97.66 -1.6363578 21.049433 -4.3848495 1 69 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 97.66 -2.9485517 20.67596 -4.8909254 1 70 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 98.05 -0.7948599 19.789837 -4.450774 1 71 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 98.05 -0.8837652 19.162142 -3.1865757 1 72 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 97.66 -1.4700952 18.972385 -5.550252 1 73 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 98.05 -2.9346113 19.334272 -5.3268385 1 74 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 98.44 -3.8155928 19.256565 -6.491054 1 75 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 98.44 -3.5390608 19.603014 -7.78753 1 76 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 98.44 -4.5577345 19.46156 -8.602401 1 77 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 98.44 -5.57981 18.992441 -7.785042 1 78 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 98.44 -6.9179506 18.645596 -8.047433 1 79 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 98.05 -7.481524 18.731316 -9.253397 1 80 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 98.44 -7.663734 18.20819 -7.007851 1 81 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 98.44 -7.0944138 18.132828 -5.798554 1 82 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 98.44 -5.845952 18.431778 -5.4289584 1 83 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 98.44 -5.130333 18.861904 -6.4873166 1 84 +ATOM P P . DA A0 1 5 . 5 DA A0 P 96.88 -0.037018746 17.876978 -2.8873029 1 85 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 95.7 0.57094574 17.337486 -4.129409 1 86 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 94.92 0.8164262 18.181883 -1.7073555 1 87 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 94.14 -1.1886382 16.88646 -2.4362693 1 88 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 96.48 -2.3273711 17.394505 -1.7686052 1 89 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 98.44 -3.4264917 16.360298 -1.7144065 1 90 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 98.05 -4.1894393 16.375923 -2.9481792 1 91 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 98.44 -2.948845 14.923826 -1.5242939 1 92 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 98.44 -3.818551 14.324688 -0.5806307 1 93 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 98.05 -3.061337 14.319613 -2.9205751 1 94 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 98.44 -4.248972 15.082432 -3.4972548 1 95 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 98.44 -4.287822 15.253433 -4.9491625 1 96 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 98.44 -3.2694073 15.619327 -5.7833743 1 97 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 98.44 -3.6271987 15.740408 -7.042153 1 98 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 98.44 -4.9829655 15.427741 -7.0339546 1 99 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 98.83 -5.9479427 15.3724985 -8.053379 1 100 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 98.44 -5.683713 15.643324 -9.333839 1 101 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 98.44 -7.2056036 15.024895 -7.7075663 1 102 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 98.44 -7.4672813 14.758974 -6.4233756 1 103 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 98.44 -6.6450067 14.778469 -5.370486 1 104 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 98.83 -5.4016037 15.124305 -5.7522945 1 105 +ATOM P P . DA A0 1 6 . 6 DA A0 P 97.27 -3.6243534 12.839767 -0.07245259 1 106 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 96.48 -2.2899218 12.327919 -0.47707066 1 107 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 95.7 -4.029972 12.813076 1.3582802 1 108 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 94.92 -4.7275114 12.082687 -0.91387826 1 109 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 96.88 -6.0589437 12.563369 -0.8963492 1 110 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 98.44 -6.936899 11.779198 -1.8354931 1 111 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 98.05 -6.718524 12.223442 -3.1939843 1 112 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 98.44 -6.6984625 10.269846 -1.832576 1 113 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 98.05 -7.9533243 9.629233 -1.6513205 1 114 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 98.05 -6.0926456 9.9893055 -3.2083802 1 115 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 98.44 -6.673925 11.109594 -4.048129 1 116 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 98.44 -5.900896 11.491985 -5.2360134 1 117 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 98.44 -4.5713234 11.812508 -5.305485 1 118 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 98.44 -4.162737 12.13232 -6.5122013 1 119 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 98.44 -5.308593 12.010693 -7.297226 1 120 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 98.44 -5.537939 12.211121 -8.667595 1 121 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 98.44 -4.593632 12.5881 -9.525901 1 122 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 98.44 -6.7853746 12.005391 -9.127502 1 123 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 98.83 -7.735378 11.625011 -8.261946 1 124 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 98.44 -7.6391096 11.404991 -6.9449015 1 125 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 98.83 -6.385002 11.615532 -6.522192 1 126 +ATOM P P . DA A0 1 7 . 7 DA A0 P 96.48 -8.032087 8.031268 -1.4582607 1 127 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 96.09 -6.6673813 7.4617114 -1.3086389 1 128 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 95.31 -9.06717 7.7801957 -0.42615023 1 129 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 94.14 -8.606527 7.5561924 -2.856737 1 130 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 96.09 -9.778631 8.164547 -3.3638606 1 131 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 98.05 -10.013419 7.7752476 -4.799118 1 132 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 98.05 -9.046554 8.422451 -5.653879 1 133 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 98.44 -9.904064 6.2721224 -5.0873685 1 134 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 98.05 -11.111734 5.8432565 -5.703018 1 135 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 97.66 -8.714264 6.160017 -6.038497 1 136 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 98.05 -8.671991 7.5329733 -6.67758 1 137 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 98.44 -7.3664246 7.9578857 -7.188044 1 138 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 98.44 -6.196595 8.09713 -6.48866 1 139 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 98.44 -5.190469 8.509481 -7.21809 1 140 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 98.44 -5.732693 8.6537 -8.494465 1 141 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 98.05 -5.173481 9.059243 -9.719258 1 142 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 98.44 -3.9020514 9.411709 -9.871299 1 143 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 98.44 -5.987397 9.089148 -10.796308 1 144 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 98.44 -7.270673 8.733347 -10.646862 1 145 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 98.44 -7.9109325 8.332414 -9.539177 1 146 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 98.44 -7.073308 8.313431 -8.487296 1 147 +ATOM P P . DG A0 1 8 . 8 DG A0 P 97.27 -11.5018635 4.312846 -5.742488 1 148 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 97.27 -10.536644 3.5414443 -4.941458 1 149 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 96.48 -12.963762 4.2257175 -5.461142 1 150 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 95.7 -11.260601 3.971707 -7.276781 1 151 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 96.88 -11.436742 5.003745 -8.198862 1 152 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 98.44 -11.126637 4.6079407 -9.617584 1 153 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 98.05 -9.883198 5.250454 -10.01178 1 154 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 98.83 -10.944429 3.1165485 -9.899132 1 155 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 98.44 -11.612579 2.8018298 -11.115169 1 156 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 98.44 -9.430986 2.9641154 -10.032318 1 157 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 98.83 -9.019188 4.306115 -10.583114 1 158 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 98.44 -7.659069 4.72038 -10.249897 1 159 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 98.44 -7.043333 4.687579 -9.017887 1 160 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 98.44 -5.822882 5.1309094 -9.047768 1 161 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 98.44 -5.610123 5.4807854 -10.378507 1 162 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 98.44 -4.4686937 6.014632 -11.016661 1 163 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 98.44 -3.3746147 6.305042 -10.505435 1 164 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 98.44 -4.6825066 6.2230268 -12.378199 1 165 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 98.83 -5.8535576 5.9422736 -13.038617 1 166 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 98.44 -5.8706737 6.206631 -14.353037 1 167 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 98.83 -6.9341297 5.4415655 -12.456329 1 168 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 98.44 -6.7388425 5.2358513 -11.131805 1 169 +ATOM P P . DG A0 1 9 . 9 DG A0 P 97.27 -11.895706 1.3037157 -11.538366 1 170 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 96.88 -11.320131 0.35091922 -10.572756 1 171 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 96.09 -13.340085 1.2550393 -11.892483 1 172 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 94.92 -11.063999 1.2052107 -12.884706 1 173 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 96.48 -11.245322 2.1988063 -13.864403 1 174 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 98.44 -10.265406 1.9945134 -15.000122 1 175 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 98.05 -8.970767 2.530874 -14.650148 1 176 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 98.44 -10.02879 0.5368346 -15.369445 1 177 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 98.44 -9.872017 0.47384948 -16.783474 1 178 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 98.44 -8.723097 0.20546551 -14.640352 1 179 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 98.44 -7.9868097 1.5221901 -14.76273 1 180 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 98.83 -6.9640293 1.8106409 -13.7600975 1 181 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 98.83 -7.0397506 1.6555624 -12.39699 1 182 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 98.44 -5.960627 2.036888 -11.775953 1 183 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 98.44 -5.116152 2.4750333 -12.787759 1 184 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 98.83 -3.7975135 3.0028825 -12.722523 1 185 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 98.44 -3.0940633 3.210847 -11.731962 1 186 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 98.44 -3.3080008 3.3164794 -13.992172 1 187 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 98.44 -4.0030794 3.1411064 -15.177291 1 188 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 98.83 -3.36585 3.4964035 -16.297491 1 189 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 98.44 -5.2365017 2.6493144 -15.239496 1 190 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 98.44 -5.7259784 2.3412914 -14.01523 1 191 +ATOM P P . DA A0 1 10 . 10 DA A0 P 97.27 -10.100985 -0.8907119 -17.583763 1 192 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 96.88 -10.587612 -1.9637401 -16.688797 1 193 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 96.48 -10.878763 -0.49339753 -18.796562 1 194 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 95.31 -8.631081 -1.2465189 -18.056568 1 195 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 96.48 -7.915162 -0.26743984 -18.772495 1 196 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 98.05 -6.4472375 -0.6011295 -18.79465 1 197 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 98.05 -5.8090324 -0.15512955 -17.571371 1 198 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 98.05 -6.1339054 -2.0991774 -18.92281 1 199 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 98.05 -5.1696525 -2.2730293 -19.943268 1 200 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 97.66 -5.555373 -2.4525952 -17.553234 1 201 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 98.44 -4.886895 -1.1407802 -17.188875 1 202 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 98.44 -4.537025 -0.9443668 -15.790424 1 203 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 98.44 -5.2573376 -1.2672756 -14.661871 1 204 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 98.44 -4.641699 -0.98579466 -13.534662 1 205 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 98.44 -3.435001 -0.43607652 -13.9447 1 206 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 98.05 -2.3284688 0.065626666 -13.2395115 1 207 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 98.05 -2.252118 0.09847009 -11.908286 1 208 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 98.44 -1.2844108 0.54418325 -13.947226 1 209 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 98.44 -1.3569396 0.5124371 -15.285862 1 210 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 98.44 -2.3449965 0.059272528 -16.069906 1 211 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 98.44 -3.3656716 -0.4053417 -15.327725 1 212 +ATOM P P . DA A0 1 11 . 11 DA A0 P 97.27 -5.0724955 -3.601849 -20.784931 1 213 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 96.48 -5.599049 -4.734072 -19.979244 1 214 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 95.7 -5.629423 -3.3069382 -22.14122 1 215 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 94.14 -3.500198 -3.763463 -20.932568 1 216 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 96.09 -2.722411 -2.6038537 -21.166994 1 217 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 98.05 -1.3921185 -2.7065887 -20.461878 1 218 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 98.05 -1.5418649 -2.4384995 -19.048248 1 219 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 98.44 -0.7218882 -4.0780478 -20.569668 1 220 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 98.05 0.60545444 -3.8882186 -21.03045 1 221 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 98.05 -0.757466 -4.6157074 -19.140217 1 222 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 98.44 -0.71529526 -3.3274584 -18.339087 1 223 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 98.83 -1.1763067 -3.4141526 -16.961887 1 224 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 98.83 -2.343231 -3.9491537 -16.4874 1 225 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 98.44 -2.4513988 -3.9008436 -15.178888 1 226 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 98.44 -1.2730137 -3.2892547 -14.766001 1 227 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 98.44 -0.7749543 -2.9472175 -13.499031 1 228 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 98.05 -1.4264472 -3.1854832 -12.360616 1 229 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 98.44 0.43211716 -2.3488355 -13.439287 1 230 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 98.44 1.0875486 -2.1144884 -14.581225 1 231 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 98.44 0.71921545 -2.391952 -15.831549 1 232 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 98.44 -0.48425168 -2.984397 -15.854012 1 233 +ATOM P P . DG A0 1 12 . 12 DG A0 P 96.88 1.5974355 -5.084076 -21.252617 1 234 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 96.88 0.90430844 -6.3530636 -20.907713 1 235 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 96.48 2.219626 -4.89843 -22.582428 1 236 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 94.14 2.7085376 -4.8099756 -20.145832 1 237 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 96.48 3.1895795 -3.4881616 -19.933838 1 238 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 98.44 4.2703743 -3.5000508 -18.876188 1 239 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 98.05 3.6693091 -3.4990318 -17.548622 1 240 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 98.44 5.1734896 -4.720562 -18.935814 1 241 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 98.44 6.5162725 -4.3217926 -18.708128 1 242 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 98.05 4.647314 -5.6154566 -17.817543 1 243 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 98.44 4.1450315 -4.6016817 -16.805435 1 244 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 98.44 3.0535717 -5.058404 -15.94656 1 245 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 98.44 1.8484044 -5.58212 -16.339668 1 246 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 98.44 1.0707326 -5.8876586 -15.341509 1 247 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 98.83 1.8039709 -5.5376673 -14.216753 1 248 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 98.44 1.4821477 -5.6350403 -12.842319 1 249 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 98.44 0.44067544 -6.0590544 -12.322449 1 250 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 98.44 2.5169606 -5.176417 -12.029694 1 251 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 98.83 3.7130456 -4.678153 -12.491592 1 252 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 98.44 4.587442 -4.2785025 -11.555386 1 253 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 98.83 4.026531 -4.5749817 -13.771842 1 254 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 98.44 3.0284266 -5.0237074 -14.575291 1 255 +ATOM P P . DT A0 1 13 . 13 DT A0 P 96.09 7.6645722 -5.4106236 -18.7952 1 256 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 95.7 7.11362 -6.6817064 -19.332138 1 257 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 95.31 8.82661 -4.7640553 -19.450798 1 258 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 93.75 8.009889 -5.652871 -17.268583 1 259 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 94.92 8.053027 -4.5494633 -16.384354 1 260 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 98.05 8.637789 -4.988796 -15.056089 1 261 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 97.27 7.5712776 -5.407063 -14.1656 1 262 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 98.05 9.597664 -6.165082 -15.155613 1 263 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 97.27 10.719364 -5.8864503 -14.349325 1 264 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 96.88 8.78064 -7.356568 -14.6526165 1 265 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 97.66 7.824658 -6.705799 -13.672354 1 266 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 98.44 6.494685 -7.353792 -13.494889 1 267 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 98.44 6.0217104 -7.5272207 -12.211638 1 268 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 98.05 6.6491017 -7.2145557 -11.217541 1 269 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 98.05 4.7719374 -8.078719 -12.128709 1 270 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 98.05 3.9685087 -8.464749 -13.18268 1 271 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 98.44 2.8566904 -8.944401 -12.988293 1 272 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 98.44 4.5333776 -8.265375 -14.498106 1 273 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 98.05 3.7452662 -8.663355 -15.704592 1 274 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 98.05 5.7515793 -7.721589 -14.590899 1 275 +ATOM P P . DG A0 1 14 . 14 DG A0 P 96.09 12.017694 -6.806718 -14.390133 1 276 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 95.31 11.904243 -7.6906767 -15.57422 1 277 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 95.31 13.207556 -5.9445806 -14.193121 1 278 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 94.92 11.821524 -7.6855965 -13.093278 1 279 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 94.53 11.678538 -7.0349503 -11.841752 1 280 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 96.09 11.543093 -8.075045 -10.751024 1 281 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 96.48 10.1876955 -8.590179 -10.718159 1 282 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 96.09 12.449391 -9.286104 -10.947317 1 283 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 95.7 12.930641 -9.65683 -9.674772 1 284 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 95.7 11.509093 -10.3344 -11.532947 1 285 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 96.48 10.215113 -9.993225 -10.830105 1 286 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 97.27 8.980215 -10.3857355 -11.489987 1 287 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 96.88 8.729755 -10.524725 -12.833515 1 288 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 97.27 7.5040817 -10.868406 -13.101646 1 289 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 97.27 6.896922 -10.961916 -11.857993 1 290 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 97.27 5.5697756 -11.297629 -11.503721 1 291 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 97.27 4.620153 -11.581942 -12.246592 1 292 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 97.27 5.37712 -11.27375 -10.127596 1 293 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 97.27 6.34517 -10.958899 -9.204294 1 294 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 97.27 5.973447 -10.988065 -7.9228272 1 295 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 97.27 7.589428 -10.641983 -9.523409 1 296 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 97.27 7.796128 -10.665984 -10.861226 1 297 +ATOM P P . DG A0 1 15 . 15 DG A0 P 96.48 14.033099 -10.739832 -9.496687 1 298 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 96.48 14.093113 -11.606632 -10.698893 1 299 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 95.7 15.2604475 -10.065092 -9.003349 1 300 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 95.7 13.421847 -11.587203 -8.305878 1 301 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 94.92 12.825484 -10.922635 -7.2034206 1 302 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 96.09 11.985737 -11.919722 -6.4313774 1 303 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 96.09 10.725344 -12.128356 -7.1295395 1 304 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 95.7 12.6459675 -13.289153 -6.3080745 1 305 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 94.92 12.44261 -13.801552 -5.0067115 1 306 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 94.92 11.935501 -14.11386 -7.373705 1 307 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 95.31 10.548537 -13.502676 -7.3801885 1 308 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 96.48 9.826439 -13.633951 -8.64002 1 309 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 96.09 10.31361 -13.452261 -9.90964 1 310 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 96.48 9.4268 -13.653449 -10.843391 1 311 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 96.88 8.274205 -13.982909 -10.146929 1 312 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 96.48 6.980564 -14.306677 -10.615795 1 313 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 96.48 6.583438 -14.365812 -11.787661 1 314 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 96.88 6.09739 -14.579866 -9.575016 1 315 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 96.88 6.429575 -14.53768 -8.242304 1 316 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 96.48 5.445162 -14.825371 -7.380968 1 317 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 96.88 7.636246 -14.237604 -7.7866807 1 318 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 96.88 8.504402 -13.967861 -8.789509 1 319 +ATOM P P . DG A0 1 16 . 16 DG A0 P 96.48 12.912791 -15.293794 -4.664938 1 320 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 96.48 13.642044 -15.836527 -5.8395224 1 321 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 96.09 13.5390835 -15.300419 -3.3310103 1 322 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 95.7 11.51712 -16.042805 -4.5944295 1 323 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 94.53 10.461092 -15.549071 -3.7749891 1 324 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 95.7 9.309734 -16.538979 -3.7921138 1 325 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 95.7 8.651086 -16.487186 -5.0893164 1 326 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 95.31 9.747459 -17.984062 -3.5967698 1 327 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 94.53 8.728279 -18.694092 -2.9206686 1 328 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 94.53 9.872026 -18.49044 -5.0251365 1 329 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 94.53 8.714887 -17.767303 -5.6941876 1 330 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 95.7 8.837585 -17.58224 -7.1361775 1 331 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 95.31 9.950066 -17.232143 -7.84124 1 332 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 95.7 9.742083 -17.143913 -9.128834 1 333 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 96.09 8.395763 -17.453566 -9.277203 1 334 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 95.7 7.5924263 -17.525208 -10.439759 1 335 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 95.31 7.919093 -17.315228 -11.608093 1 336 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 95.7 6.2795525 -17.883396 -10.145779 1 337 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 95.7 5.803851 -18.131802 -8.881348 1 338 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 96.09 4.504345 -18.463203 -8.794326 1 339 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 95.7 6.5461636 -18.072124 -7.7816906 1 340 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 95.7 7.8286715 -17.722244 -8.057896 1 341 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 93.75 3.9599288 -18.208048 -20.799816 1 342 +ATOM P P . DT B0 2 1 . 1 DT B0 P 96.09 4.834294 -19.473305 -21.113718 1 343 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 95.7 5.987073 -18.58061 -21.07761 1 344 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 95.31 3.990397 -19.906075 -22.080732 1 345 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 94.14 4.754078 -20.544235 -19.797195 1 346 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 94.92 3.958435 -21.685665 -19.979107 1 347 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 97.66 3.067446 -21.91042 -18.73658 1 348 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 97.66 3.926961 -22.301327 -17.635412 1 349 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 97.66 2.3422742 -20.65186 -18.309204 1 350 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 97.66 0.9575696 -20.888538 -18.083424 1 351 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 97.66 3.024713 -20.20842 -17.011234 1 352 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 98.05 3.696342 -21.470676 -16.504446 1 353 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 98.44 4.9941406 -21.114887 -15.87505 1 354 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 98.44 5.185384 -21.322763 -14.533647 1 355 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 98.05 4.361149 -21.843563 -13.800933 1 356 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 98.05 6.391076 -20.90718 -14.057175 1 357 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 98.05 7.402408 -20.303015 -14.777983 1 358 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 97.66 8.452646 -19.95208 -14.251115 1 359 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 98.05 7.142204 -20.11665 -16.170063 1 360 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 97.66 8.177758 -19.460865 -17.048113 1 361 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 98.05 5.9625897 -20.5282 -16.653103 1 362 +ATOM P P . DC B0 2 2 . 2 DC B0 P 95.7 0.058642533 -19.496855 -17.93975 1 363 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 92.97 0.89052045 -18.290283 -18.178673 1 364 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 89.84 -1.1838212 -19.703167 -18.708767 1 365 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 94.92 -0.2917441 -19.544603 -16.381792 1 366 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 95.7 -0.51382124 -20.790813 -15.730823 1 367 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 96.09 -0.52684355 -20.588135 -14.229664 1 368 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 96.09 0.847358 -20.502226 -13.726446 1 369 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 96.09 -1.2242486 -19.305513 -13.78414 1 370 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 96.09 -2.0142524 -19.54124 -12.628098 1 371 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 95.7 -0.07352254 -18.355865 -13.467358 1 372 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 96.09 1.0135994 -19.307056 -12.986197 1 373 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 96.48 2.3900318 -18.801483 -13.211259 1 374 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 96.48 3.2723398 -18.705353 -12.130325 1 375 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 96.09 2.8837395 -19.05463 -11.001461 1 376 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 96.48 4.523999 -18.230646 -12.3406315 1 377 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 96.09 4.889057 -17.872124 -13.566353 1 378 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 95.7 6.134343 -17.409046 -13.729749 1 379 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 96.09 4.0176105 -17.958141 -14.688361 1 380 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 96.09 2.785083 -18.431545 -14.466917 1 381 +ATOM P P . DC B0 2 3 . 3 DC B0 P 95.7 -3.0479221 -18.407772 -12.138285 1 382 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 94.14 -2.9730859 -17.23233 -13.05463 1 383 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 91.8 -4.341707 -19.125298 -11.9595175 1 384 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 94.14 -2.517237 -17.927315 -10.712244 1 385 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 94.92 -1.7380692 -18.788574 -9.891666 1 386 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 96.88 -1.2457821 -18.008768 -8.678133 1 387 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 96.88 0.14826223 -17.627611 -8.88481 1 388 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 96.88 -2.002046 -16.71001 -8.4229145 1 389 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 96.09 -2.1338725 -16.490099 -7.027837 1 390 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 95.7 -1.1168181 -15.636559 -9.055485 1 391 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 96.48 0.2751181 -16.217552 -8.85235 1 392 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 97.27 1.2381828 -15.819796 -9.903625 1 393 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 97.27 2.5518055 -15.499287 -9.54966 1 394 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 96.88 2.8883739 -15.563705 -8.3588915 1 395 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 97.66 3.416895 -15.128882 -10.521481 1 396 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 96.88 3.0091748 -15.080101 -11.794472 1 397 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 96.88 3.8932862 -14.708078 -12.717688 1 398 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 97.27 1.6740644 -15.405694 -12.178137 1 399 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 96.88 0.83358777 -15.76788 -11.206636 1 400 +ATOM P P . DC B0 2 4 . 4 DC B0 P 96.09 -2.9885216 -15.225943 -6.477766 1 401 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 95.7 -3.300522 -14.302759 -7.602125 1 402 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 94.53 -4.085149 -15.810322 -5.6674895 1 403 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 94.53 -1.9720616 -14.482861 -5.5131927 1 404 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 94.92 -0.85563266 -15.180317 -4.9861336 1 405 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 97.27 0.22733459 -14.21408 -4.5608215 1 406 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 97.27 1.1132317 -13.917025 -5.675132 1 407 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 96.88 -0.2789777 -12.869131 -4.071967 1 408 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 96.48 0.583179 -12.446796 -3.0255847 1 409 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 96.09 -0.13395241 -11.96072 -5.300679 1 410 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 96.88 1.1402838 -12.51733 -5.9139915 1 411 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 97.66 1.3130163 -12.336311 -7.3737783 1 412 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 97.66 2.5882063 -12.0551815 -7.862438 1 413 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 97.27 3.5325115 -11.93535 -7.071214 1 414 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 97.66 2.7617223 -11.928113 -9.194401 1 415 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 97.66 1.7258899 -12.072107 -10.02775 1 416 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 97.27 1.9401923 -11.941788 -11.332713 1 417 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 97.66 0.41444832 -12.358097 -9.545617 1 418 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 97.27 0.26010913 -12.480237 -8.2256775 1 419 +ATOM P P . DA B0 2 5 . 5 DA B0 P 96.09 0.008602064 -11.600586 -1.7962133 1 420 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 94.14 -1.3947431 -11.187721 -2.063673 1 421 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 91.02 0.36026752 -12.3500805 -0.5667184 1 422 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 92.97 0.9211281 -10.307806 -1.8551686 1 423 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 94.53 2.3281355 -10.452477 -1.8309205 1 424 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 96.88 2.9713767 -9.276957 -2.5141058 1 425 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 96.09 2.8465807 -9.404013 -3.9520907 1 426 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 96.48 2.3645613 -7.9131355 -2.1534116 1 427 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 96.09 3.43673 -7.0109367 -1.92261 1 428 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 95.7 1.5653746 -7.5447845 -3.4131298 1 429 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 96.48 2.4564033 -8.162156 -4.476441 1 430 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 97.27 1.8779371 -8.364111 -5.7950296 1 431 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 97.66 0.5735713 -8.611683 -6.137687 1 432 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 97.27 0.36558104 -8.734412 -7.4251137 1 433 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 97.66 1.6269192 -8.56209 -7.974782 1 434 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 97.66 2.0864577 -8.578432 -9.302717 1 435 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 97.66 1.303495 -8.785667 -10.356682 1 436 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 97.66 3.4091854 -8.377655 -9.508488 1 437 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 97.66 4.1991568 -8.173296 -8.44731 1 438 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 97.66 3.8756218 -8.139677 -7.1537766 1 439 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 97.66 2.5604117 -8.339149 -6.9855614 1 440 +ATOM P P . DC B0 2 6 . 6 DC B0 P 96.48 3.1881814 -5.680461 -1.0772264 1 441 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 96.48 2.268642 -6.0109987 0.02891082 1 442 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 95.31 4.53337 -5.08093 -0.7733363 1 443 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 94.53 2.4124603 -4.777817 -2.1233888 1 444 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 96.09 3.0177174 -3.6619549 -2.7208223 1 445 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 97.66 3.9753792 -4.0343385 -3.8128119 1 446 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 97.66 3.3345425 -4.8792 -4.807765 1 447 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 98.05 4.5045085 -2.8277826 -4.572565 1 448 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 97.66 5.9041424 -2.907455 -4.758586 1 449 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 97.66 3.7923691 -2.9157844 -5.925014 1 450 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 98.05 3.6223607 -4.3963623 -6.091054 1 451 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 98.44 2.527404 -4.748604 -7.042489 1 452 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 98.44 2.8365588 -4.941543 -8.392485 1 453 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 98.05 4.0042744 -4.8499784 -8.772657 1 454 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 98.05 1.8362867 -5.2319098 -9.254932 1 455 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 98.05 0.57673407 -5.3352823 -8.816551 1 456 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 98.05 -0.36565167 -5.6332874 -9.703646 1 457 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 98.05 0.25762266 -5.147124 -7.4347324 1 458 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 98.05 1.2520132 -4.8558054 -6.5901484 1 459 +ATOM P P . DT B0 2 7 . 7 DT B0 P 96.88 6.7189417 -1.527633 -5.051215 1 460 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 96.88 6.02938 -0.36233872 -4.4467516 1 461 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 96.48 8.141159 -1.8175501 -4.7255983 1 462 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 95.7 6.5701294 -1.3793895 -6.6333237 1 463 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 97.27 7.2346625 -2.2815042 -7.4873433 1 464 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 98.44 7.105747 -1.8328295 -8.935676 1 465 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 98.05 5.784355 -2.1525886 -9.434032 1 466 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 98.44 7.2957964 -0.33084244 -9.189518 1 467 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 98.05 8.109164 -0.21793748 -10.35508 1 468 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 98.05 5.8742747 0.18498042 -9.439114 1 469 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 98.44 5.2374105 -1.0257833 -10.102928 1 470 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 98.44 3.7640688 -1.2047496 -10.028046 1 471 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 98.44 3.1156821 -1.5503908 -11.193329 1 472 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 98.05 3.6835864 -1.6274416 -12.271457 1 473 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 98.44 1.7767272 -1.8075882 -11.059938 1 474 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 98.44 1.0401312 -1.7537458 -9.898865 1 475 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 98.44 -0.15742469 -2.024223 -9.903362 1 476 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 98.44 1.7701097 -1.3762562 -8.712593 1 477 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 98.44 1.0537405 -1.2744423 -7.401264 1 478 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 98.44 3.081347 -1.1238692 -8.836044 1 479 +ATOM P P . DT B0 2 8 . 8 DT B0 P 96.88 8.835312 1.1341345 -10.769268 1 480 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 96.09 8.662703 2.14065 -9.698341 1 481 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 95.31 10.204384 0.75566244 -11.221653 1 482 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 94.53 8.003408 1.6202736 -12.034544 1 483 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 95.7 7.903 0.75521874 -13.14504 1 484 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 98.05 6.9010706 1.2819128 -14.154564 1 485 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 98.05 5.548731 0.9337732 -13.743651 1 486 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 98.44 6.9001417 2.7985888 -14.37493 1 487 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 97.66 7.0519857 3.0217366 -15.774485 1 488 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 97.66 5.5327163 3.2566361 -13.864445 1 489 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 98.05 4.688862 2.0079775 -14.053348 1 490 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 98.44 3.4927573 1.8511295 -13.184218 1 491 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 98.44 2.3214579 1.3777083 -13.755833 1 492 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 98.44 2.216287 1.1153153 -14.940512 1 493 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 98.44 1.2757878 1.215516 -12.885159 1 494 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 98.44 1.2903261 1.4780204 -11.534315 1 495 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 98.44 0.29113755 1.2869592 -10.844162 1 496 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 98.44 2.5357609 1.9735556 -10.993948 1 497 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 98.44 2.647379 2.294355 -9.532411 1 498 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 98.44 3.5660415 2.132029 -11.838146 1 499 +ATOM P P . DC B0 2 9 . 9 DC B0 P 96.88 7.183632 4.5562696 -16.360714 1 500 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 96.09 7.538345 5.497848 -15.271309 1 501 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 96.09 8.049847 4.4581575 -17.567923 1 502 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 94.53 5.7001038 4.883253 -16.839413 1 503 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 96.48 5.0257645 3.9359608 -17.636467 1 504 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 98.44 3.6371393 4.4252644 -17.988903 1 505 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 98.05 2.7010539 3.9747024 -16.965487 1 506 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 98.44 3.4835725 5.950282 -18.077116 1 507 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 98.44 2.8761954 6.2839947 -19.317377 1 508 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 98.05 2.5860121 6.2980285 -16.892733 1 509 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 98.44 1.80097 5.017637 -16.696753 1 510 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 98.83 1.2484429 4.8124123 -15.348108 1 511 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 98.83 -0.06527479 4.3484955 -15.202114 1 512 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 98.44 -0.7267137 4.0911727 -16.22102 1 513 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 98.44 -0.58141947 4.1803327 -13.966326 1 514 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 98.05 0.15752572 4.469141 -12.897537 1 515 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 98.44 -0.39127234 4.296527 -11.690727 1 516 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 98.44 1.4972682 4.9460955 -13.008399 1 517 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 98.44 1.997209 5.0979824 -14.247183 1 518 +ATOM P P . DC B0 2 10 . 10 DC B0 P 97.27 2.795074 7.841546 -19.804096 1 519 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 96.09 3.4870977 8.729362 -18.829273 1 520 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 96.09 3.2043533 7.8373194 -21.235245 1 521 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 95.31 1.2306292 8.148607 -19.722916 1 522 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 96.88 0.3164083 7.202367 -20.241262 1 523 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 98.44 -1.055299 7.4514203 -19.684025 1 524 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 98.44 -1.1340246 6.94907 -18.315025 1 525 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 98.44 -1.4747596 8.931164 -19.61929 1 526 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 98.44 -2.7648516 9.08066 -20.178667 1 527 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 98.05 -1.5002818 9.222656 -18.128843 1 528 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 98.83 -1.8943136 7.859203 -17.582514 1 529 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 98.83 -1.6776123 7.702508 -16.136246 1 530 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 98.83 -2.7129846 7.167384 -15.372232 1 531 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 98.44 -3.7434492 6.7854967 -15.938104 1 532 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 98.83 -2.5627484 7.0809684 -14.028421 1 533 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 98.44 -1.4392455 7.505311 -13.452402 1 534 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 98.44 -1.3397949 7.4100947 -12.1277485 1 535 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 98.83 -0.35859776 8.051184 -14.214746 1 536 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 98.44 -0.524505 8.124671 -15.542238 1 537 +ATOM P P . DT B0 2 11 . 11 DT B0 P 97.27 -3.412128 10.546282 -20.397682 1 538 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 96.09 -2.7217364 11.563213 -19.554768 1 539 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 96.09 -3.5016456 10.729177 -21.862629 1 540 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 94.92 -4.8833246 10.354069 -19.807293 1 541 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 96.48 -5.591117 9.153815 -20.080204 1 542 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 98.44 -6.7671857 9.017264 -19.13548 1 543 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 98.44 -6.2813473 8.753859 -17.788244 1 544 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 98.44 -7.6416397 10.268821 -19.039436 1 545 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 98.44 -9.005175 9.866757 -19.061735 1 546 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 98.44 -7.2412167 10.895765 -17.69983 1 547 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 98.44 -6.857924 9.671736 -16.880758 1 548 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 98.44 -5.879588 9.912272 -15.783192 1 549 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 98.44 -6.2374554 9.563477 -14.498239 1 550 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 98.83 -7.3200274 9.07951 -14.204146 1 551 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 98.44 -5.2766685 9.798997 -13.551241 1 552 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 98.83 -4.023374 10.3351 -13.7525425 1 553 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 98.44 -3.2401638 10.492697 -12.8187475 1 554 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 98.44 -3.7157145 10.67911 -15.121254 1 555 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 98.44 -2.37317 11.277197 -15.449484 1 556 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 98.44 -4.642421 10.4552765 -16.057705 1 557 +ATOM P P . DT B0 2 12 . 12 DT B0 P 97.27 -10.173125 10.957209 -19.272682 1 558 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 96.88 -9.599027 12.333161 -19.288223 1 559 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 96.48 -10.985772 10.470297 -20.409817 1 560 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 95.7 -11.0327015 10.799394 -17.93697 1 561 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 97.27 -10.3486595 10.477785 -16.765806 1 562 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 98.44 -11.291462 10.218305 -15.622753 1 563 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 98.44 -10.471354 10.147659 -14.4405155 1 564 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 98.44 -12.308516 11.324943 -15.334358 1 565 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 98.83 -13.45427 10.736277 -14.718759 1 566 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 98.44 -11.527201 12.262582 -14.418103 1 567 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 98.83 -10.632172 11.301622 -13.640123 1 568 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 98.83 -9.279409 11.83103 -13.306866 1 569 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 98.83 -8.798832 11.614095 -12.037202 1 570 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 98.83 -9.429594 11.025265 -11.1774235 1 571 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 98.44 -7.5404763 12.114278 -11.799569 1 572 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 98.83 -6.741893 12.78578 -12.690916 1 573 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 98.44 -5.630904 13.182177 -12.360746 1 574 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 98.83 -7.305436 12.975034 -14.007229 1 575 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 98.44 -6.511243 13.702335 -15.055419 1 576 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 98.83 -8.5334835 12.493416 -14.252172 1 577 +ATOM P P . DT B0 2 13 . 13 DT B0 P 97.27 -14.594248 11.67872 -14.096931 1 578 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 97.27 -14.523029 13.045671 -14.685032 1 579 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 97.27 -15.8398285 10.877906 -14.210424 1 580 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 96.48 -14.220461 11.787519 -12.552452 1 581 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 96.88 -13.998503 10.597422 -11.807505 1 582 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 98.83 -13.738674 10.908924 -10.345324 1 583 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 98.05 -12.41839 11.48134 -10.174601 1 584 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 98.44 -14.710507 11.894543 -9.694724 1 585 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 98.05 -15.036392 11.36955 -8.411074 1 586 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 98.44 -13.917597 13.203907 -9.606163 1 587 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 98.83 -12.502112 12.677191 -9.4068985 1 588 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 98.83 -11.367899 13.543772 -9.846639 1 589 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 98.83 -10.314262 13.707217 -8.981398 1 590 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 98.44 -10.286655 13.239786 -7.85282 1 591 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 98.83 -9.270502 14.440142 -9.481056 1 592 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 98.44 -9.178684 15.013061 -10.729534 1 593 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 98.44 -8.179056 15.644901 -11.061691 1 594 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 98.83 -10.329287 14.813412 -11.5838175 1 595 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 98.44 -10.331337 15.412372 -12.964167 1 596 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 98.83 -11.351086 14.095391 -11.1094885 1 597 +ATOM P P . DT B0 2 14 . 14 DT B0 P 96.88 -16.07954 12.146708 -7.4198647 1 598 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 96.48 -16.787613 13.200262 -8.194241 1 599 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 96.09 -16.845516 11.074635 -6.732132 1 600 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 95.31 -15.145416 12.853623 -6.349103 1 601 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 96.09 -14.250889 12.05277 -5.5921736 1 602 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 98.44 -13.390858 12.915132 -4.6802483 1 603 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 97.66 -12.416193 13.6508045 -5.4545326 1 604 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 98.05 -14.143356 13.960196 -3.8593643 1 605 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 98.05 -13.690995 13.833684 -2.515551 1 606 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 98.05 -13.748224 15.305569 -4.4797 1 607 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 98.05 -12.351537 14.988581 -4.9855013 1 608 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 98.44 -11.815772 15.816304 -6.098294 1 609 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 98.44 -10.535085 16.301147 -5.9955564 1 610 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 98.44 -9.82309 16.13076 -5.0191255 1 611 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 98.44 -10.090525 16.996607 -7.0808196 1 612 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 98.44 -10.799136 17.248787 -8.237819 1 613 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 98.44 -10.29715 17.884155 -9.161023 1 614 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 98.05 -12.142109 16.717386 -8.276442 1 615 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 98.44 -12.993915 16.946009 -9.491814 1 616 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 98.44 -12.578264 16.03469 -7.21769 1 617 +ATOM P P . DA B0 2 15 . 15 DA B0 P 95.7 -14.269966 14.7397175 -1.3319793 1 618 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 95.7 -15.450079 15.50668 -1.8053975 1 619 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 94.92 -14.376194 13.826483 -0.1632723 1 620 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 93.36 -13.092718 15.773703 -1.0609629 1 621 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 95.31 -11.764204 15.308998 -0.96809006 1 622 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 97.66 -10.8186455 16.455421 -0.688312 1 623 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 97.27 -10.447008 17.104443 -1.9296136 1 624 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 97.66 -11.372131 17.550066 0.21880275 1 625 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 97.27 -10.38447 17.830181 1.2032423 1 626 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 96.88 -11.629612 18.724537 -0.7351865 1 627 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 97.66 -10.579281 18.504417 -1.8111001 1 628 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 98.05 -10.895626 19.008698 -3.1433048 1 629 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 98.05 -12.06637 18.857838 -3.8363738 1 630 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 98.05 -12.042475 19.377403 -5.0404425 1 631 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 98.05 -10.7615795 19.910309 -5.151768 1 632 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 98.05 -10.109596 20.59455 -6.1936736 1 633 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 98.05 -10.67453 20.872225 -7.3635006 1 634 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 98.05 -8.833682 20.99599 -5.975979 1 635 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 98.05 -8.267486 20.71593 -4.8008323 1 636 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 98.05 -8.780529 20.067886 -3.7480247 1 637 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 98.05 -10.0479355 19.687273 -3.9892788 1 638 +ATOM P P . DT B0 2 16 . 16 DT B0 P 96.09 -10.539244 19.00111 2.276064 1 639 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 96.48 -11.943281 19.480858 2.3091068 1 640 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 96.48 -9.87747 18.548605 3.5310903 1 641 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 94.53 -9.64823 20.141739 1.6163383 1 642 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 94.92 -8.344777 19.83747 1.1419302 1 643 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 97.27 -7.667595 21.092247 0.6581782 1 644 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 97.27 -8.080648 21.379917 -0.70817363 1 645 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 97.27 -7.997574 22.341152 1.4719939 1 646 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 96.88 -6.8287344 23.12524 1.6195564 1 647 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 96.88 -9.016726 23.06734 0.6017308 1 648 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 97.27 -8.485935 22.73265 -0.78265923 1 649 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 97.66 -9.427539 22.876148 -1.9161239 1 650 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 98.05 -8.934994 23.377647 -3.1025574 1 651 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 97.27 -7.76752 23.702095 -3.2596297 1 652 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 97.66 -9.849239 23.4827 -4.1157417 1 653 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 97.66 -11.186563 23.131264 -4.055018 1 654 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 97.66 -11.908937 23.265244 -5.0373087 1 655 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 97.66 -11.647679 22.609694 -2.776764 1 656 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 97.66 -13.0924835 22.213737 -2.5979557 1 657 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 97.66 -10.751398 22.511837 -1.7821147 1 658 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 90.62 19.686089 -13.3669815 -2.2137728 1 659 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 92.58 18.406734 -13.590484 -2.8965235 1 660 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 94.14 17.573902 -14.730955 -2.3481336 1 661 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 92.19 16.713713 -15.25967 -3.061676 1 662 +ATOM N N . SER C0 3 2 . 2 SER C0 N 91.8 17.801983 -15.0707855 -1.0895493 1 663 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 92.97 17.084251 -16.186668 -0.47981274 1 664 +ATOM C C . SER C0 3 2 . 2 SER C0 C 93.75 16.00753 -15.74563 0.5077573 1 665 +ATOM O O . SER C0 3 2 . 2 SER C0 O 92.19 15.230904 -16.576227 0.9677746 1 666 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 91.41 18.072845 -17.135338 0.21259992 1 667 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 90.62 18.725914 -16.51347 1.298775 1 668 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 89.06 15.956516 -14.441161 0.8095952 1 669 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 92.97 14.95355 -13.929266 1.7457805 1 670 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 94.53 13.693932 -13.466568 1.0100116 1 671 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 92.58 13.766121 -12.831882 -0.048204143 1 672 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 90.23 15.525937 -12.785843 2.59262 1 673 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 89.84 16.623789 -13.234181 3.5701718 1 674 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 89.06 16.902206 -12.178555 4.653895 1 675 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 87.89 15.896982 -12.256557 5.780445 1 676 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 86.33 16.199158 -11.283131 6.873225 1 677 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 89.45 12.545955 -13.790867 1.5634189 1 678 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 92.97 11.258898 -13.363405 1.0279263 1 679 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 94.14 11.224704 -11.842186 0.97902423 1 680 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 91.8 11.68297 -11.182197 1.9118598 1 681 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 89.84 10.134828 -13.892981 1.9217894 1 682 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 89.45 8.741344 -13.538553 1.4444175 1 683 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 88.28 7.6868105 -13.763122 2.5553517 1 684 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 87.11 7.4964557 -15.234177 2.8558276 1 685 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 85.94 6.4112225 -15.451876 3.8353615 1 686 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 89.45 10.715292 -11.27026 -0.10309033 1 687 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 94.14 10.702336 -9.816239 -0.26722687 1 688 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 96.09 9.703398 -9.169248 0.6843234 1 689 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 93.75 8.523586 -9.535879 0.70293784 1 690 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 91.02 10.3673315 -9.455288 -1.7268261 1 691 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 90.23 10.714186 -8.026791 -2.096585 1 692 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 89.45 9.920917 -7.5499077 -3.3478885 1 693 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 88.28 10.30013 -8.2816925 -4.6282773 1 694 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 87.5 11.59987 -7.827276 -5.1866837 1 695 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 92.58 10.177568 -8.20714 1.4685881 1 696 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 96.09 9.358009 -7.511061 2.4530716 1 697 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 97.27 8.170913 -6.786083 1.8065094 1 698 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 96.09 8.287697 -6.2482414 0.7010038 1 699 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 93.36 10.209599 -6.5201206 3.2929745 1 700 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 91.8 9.424507 -6.0202446 4.505288 1 701 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 91.41 10.691946 -5.362131 2.428204 1 702 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 89.06 10.258377 -5.183758 5.4870777 1 703 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 95.31 7.037633 -6.780183 2.4945796 1 704 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 96.09 5.851487 -6.1050477 1.9841123 1 705 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 96.88 5.8301344 -4.6619434 2.4653435 1 706 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 95.7 6.389683 -4.3499875 3.5331376 1 707 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 95.31 4.5888147 -6.8457747 2.4512832 1 708 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 94.14 4.7416525 -8.331413 2.3094845 1 709 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 93.36 3.4963644 -9.207534 2.1668644 1 710 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 92.97 2.2634091 -8.533356 1.8037205 1 711 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 93.36 1.0990772 -9.141553 1.713583 1 712 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 91.02 1.0008388 -10.43157 1.9612184 1 713 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 91.02 0.023623787 -8.437767 1.3673041 1 714 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 97.27 5.182075 -3.7841158 1.7050855 1 715 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 96.88 5.132267 -2.3602314 2.0248146 1 716 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 96.88 4.593789 -2.0860004 3.4274993 1 717 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 96.48 5.1780252 -1.2864527 4.1698523 1 718 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 96.48 4.3051357 -1.6011686 0.97780305 1 719 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 96.09 4.1025496 -0.09622562 1.232901 1 720 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 95.7 3.180996 0.49075478 0.16717954 1 721 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 95.7 5.4255257 0.64311147 1.2689133 1 722 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 97.27 3.489354 -2.7295356 3.8097296 1 723 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 96.48 2.9063864 -2.4698932 5.1253853 1 724 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 96.48 3.8679073 -2.8235707 6.256275 1 725 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 95.31 3.8959937 -2.1412878 7.288354 1 726 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 94.92 1.5482798 -3.1736917 5.29683 1 727 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 93.75 1.5883155 -4.6775403 5.45129 1 728 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 92.58 1.257974 -5.5222893 4.404361 1 729 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 92.58 1.9299356 -5.258025 6.6759725 1 730 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 91.41 1.2733214 -6.901669 4.5501595 1 731 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 91.8 1.9484768 -6.6341786 6.829336 1 732 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 91.8 1.6247839 -7.4447694 5.760316 1 733 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 91.02 1.6402066 -8.816552 5.913903 1 734 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 96.88 4.6849303 -3.8617969 6.067569 1 735 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 96.48 5.669269 -4.2539554 7.075694 1 736 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 96.88 6.793082 -3.238782 7.163484 1 737 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 95.7 7.2673182 -2.9146075 8.251742 1 738 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 95.7 6.239027 -5.6334586 6.775332 1 739 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 92.58 5.5841727 -6.7560015 7.560817 1 740 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 92.58 5.651812 -6.5332727 9.062754 1 741 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 91.02 6.6311073 -6.0334177 9.620071 1 742 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 91.02 4.574554 -6.888043 9.766435 1 743 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 97.27 7.2380066 -2.7305012 6.0116587 1 744 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 96.88 8.276778 -1.7132871 5.943592 1 745 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 96.48 7.856433 -0.4699113 6.72838 1 746 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 95.7 8.627544 0.066983506 7.52324 1 747 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 96.09 8.542989 -1.3464875 4.4853077 1 748 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 96.88 9.456005 -0.16346762 4.2848816 1 749 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 96.88 8.937946 1.0734539 3.9289823 1 750 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 96.88 10.828482 -0.29354328 4.432415 1 751 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 96.88 9.774811 2.160814 3.73255 1 752 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 96.88 11.667557 0.78872716 4.236405 1 753 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 96.88 11.143848 2.0232275 3.8865702 1 754 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 97.27 6.613101 -0.04213047 6.537817 1 755 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 96.88 6.086687 1.1398091 7.221817 1 756 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 97.27 5.9102993 0.9047147 8.716647 1 757 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 96.48 6.286728 1.754626 9.527322 1 758 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 96.88 4.7549496 1.5728426 6.593134 1 759 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 96.88 4.814956 1.9715178 5.114078 1 760 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 95.7 3.4073567 2.2536898 4.591071 1 761 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 96.09 5.7147036 3.1875505 4.928272 1 762 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 97.27 5.348322 -0.23894584 9.079334 1 763 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 96.88 5.151623 -0.5727071 10.490642 1 764 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 97.27 6.4927244 -0.65721655 11.210882 1 765 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 96.48 6.635644 -0.16080776 12.333171 1 766 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 96.48 4.3830953 -1.8935347 10.631899 1 767 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 95.7 4.064254 -2.3361232 12.062292 1 768 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 94.53 3.32579 -3.6718473 12.04335 1 769 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 94.92 3.239277 -1.2804096 12.790959 1 770 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 96.88 7.4893284 -1.2612436 10.563042 1 771 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 96.48 8.826318 -1.3693976 11.137576 1 772 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 96.09 9.425033 0.0103406925 11.411774 1 773 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 94.92 10.028757 0.22820558 12.457271 1 774 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 95.7 9.759901 -2.1575434 10.204467 1 775 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 95.31 9.441507 -3.6416903 10.149876 1 776 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 94.14 8.600609 -4.1108637 10.94861 1 777 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 94.53 10.030377 -4.3536644 9.305988 1 778 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 97.66 9.247931 0.93865746 10.475579 1 779 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 97.27 9.744566 2.3000708 10.656271 1 780 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 96.88 9.089915 2.97706 11.858241 1 781 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 95.7 9.766478 3.623516 12.661552 1 782 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 97.27 9.474572 3.1612558 9.417658 1 783 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 96.88 10.371397 3.0379627 8.192858 1 784 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 95.7 10.186761 4.2875752 7.3379593 1 785 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 96.09 11.830451 2.8970516 8.592882 1 786 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 97.66 7.772998 2.8350582 11.953047 1 787 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 96.88 7.024745 3.4560728 13.0414715 1 788 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 96.48 7.4246407 2.9034224 14.403717 1 789 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 95.7 7.502202 3.6550813 15.376071 1 790 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 97.27 5.520646 3.290813 12.806743 1 791 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 96.88 4.930896 4.2534 11.76374 1 792 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 96.09 3.601871 3.736217 11.246059 1 793 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 96.88 4.777977 5.652648 12.345394 1 794 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 97.27 7.6901035 1.6046641 14.473367 1 795 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 96.48 8.063307 0.9737283 15.724603 1 796 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 94.92 9.53793 1.208447 16.08078 1 797 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 92.19 9.890678 1.2070668 17.260015 1 798 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 96.09 7.7365766 -0.52789986 15.68816 1 799 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 95.31 6.2395725 -0.78829664 15.737903 1 800 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 95.31 5.8881893 -2.2695315 15.719259 1 801 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 95.31 4.4486637 -2.4572206 15.913553 1 802 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 95.31 3.8128984 -3.624522 15.8831005 1 803 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 94.14 4.506878 -4.7399874 15.665075 1 804 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 94.14 2.5020018 -3.6817398 16.05886 1 805 +ATOM N N . SER C0 3 18 . 18 SER C0 N 96.88 10.377368 1.4153972 15.074345 1 806 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 96.09 11.800404 1.71244 15.289905 1 807 +ATOM C C . SER C0 3 18 . 18 SER C0 C 95.31 11.9943285 3.1654096 15.704504 1 808 +ATOM O O . SER C0 3 18 . 18 SER C0 O 92.58 12.79347 3.4656286 16.588837 1 809 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 95.31 12.608368 1.4685726 14.01852 1 810 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 94.14 12.292746 0.24175443 13.437791 1 811 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 95.7 11.281136 4.0470686 15.040104 1 812 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 95.7 11.385546 5.4732757 15.307529 1 813 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 96.09 12.2324295 6.2244086 14.290689 1 814 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 94.14 12.456844 7.426679 14.441167 1 815 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 94.53 12.732571 5.55975 13.257873 1 816 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 95.31 13.498186 6.2338476 12.217524 1 817 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 96.09 12.534753 6.95908 11.279936 1 818 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 94.53 11.3519945 6.5959616 11.200687 1 819 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 93.75 14.350293 5.22649 11.442441 1 820 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 93.75 15.564969 5.8548574 10.790459 1 821 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 93.36 15.845575 7.0529704 11.047712 1 822 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 92.58 16.267193 5.164484 10.021374 1 823 +ATOM N N . MET C0 3 21 . 21 MET C0 N 95.7 13.018767 7.966279 10.592255 1 824 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 96.48 12.2324505 8.761499 9.646908 1 825 +ATOM C C . MET C0 3 21 . 21 MET C0 C 96.88 11.011736 9.425753 10.282195 1 826 +ATOM O O . MET C0 3 21 . 21 MET C0 O 95.7 9.950648 9.51772 9.666647 1 827 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 95.31 11.799148 7.9053984 8.453133 1 828 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 94.92 12.941457 7.164676 7.794464 1 829 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 96.09 12.652084 6.796873 6.047598 1 830 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 92.58 12.942893 8.4037895 5.323398 1 831 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 95.7 11.173552 9.93679 11.530846 1 832 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 95.31 10.082963 10.627504 12.218151 1 833 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 95.31 9.708839 11.927572 11.517693 1 834 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 94.53 8.631342 12.468647 11.738979 1 835 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 95.31 10.4601345 10.911319 13.682724 1 836 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 94.92 10.535779 9.669393 14.549709 1 837 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 94.53 10.833688 10.060228 16.00563 1 838 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 93.75 11.207872 8.868251 16.871876 1 839 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 92.58 10.015813 8.055204 17.282188 1 840 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 96.09 10.623913 12.445037 10.682316 1 841 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 96.09 10.337685 13.63788 9.888511 1 842 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 96.48 9.365477 13.309395 8.757273 1 843 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 94.92 8.704332 14.197911 8.227985 1 844 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 95.31 11.623265 14.215527 9.2854 1 845 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 95.31 12.5443945 14.819687 10.322811 1 846 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 94.14 12.05685 15.607209 11.161018 1 847 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 94.14 13.75499 14.511655 10.298923 1 848 +ATOM N N . SER C0 3 24 . 24 SER C0 N 96.48 9.316236 12.03804 8.38858 1 849 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 96.48 8.521273 11.5866995 7.244834 1 850 +ATOM C C . SER C0 3 24 . 24 SER C0 C 96.88 7.2045956 10.89868 7.6183395 1 851 +ATOM O O . SER C0 3 24 . 24 SER C0 O 96.09 6.217524 11.036007 6.8928003 1 852 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 95.7 9.341211 10.622599 6.384059 1 853 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 94.92 10.585878 11.199208 6.0089345 1 854 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 97.27 7.194481 10.163282 8.736334 1 855 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 97.27 6.023279 9.400522 9.134508 1 856 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 96.88 5.945307 9.279335 10.660004 1 857 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 96.09 6.97529 9.151768 11.331714 1 858 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 96.09 6.0293727 7.9963145 8.473809 1 859 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 94.53 4.7104177 7.2566957 8.724904 1 860 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 95.31 7.2160316 7.1672535 8.960001 1 861 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 93.36 4.581076 5.947226 7.9455123 1 862 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 97.27 4.7457533 9.326508 11.209025 1 863 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 96.88 4.554756 9.259756 12.669217 1 864 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 96.48 3.1779313 8.71085 12.994818 1 865 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 95.31 2.267097 8.698815 12.157761 1 866 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 95.7 4.69314 10.649149 13.301781 1 867 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 96.09 3.8451288 11.684227 12.620079 1 868 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 94.53 2.5230968 11.932182 12.79856 1 869 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 96.48 4.2731075 12.599472 11.6105585 1 870 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 95.31 2.1032498 12.944284 11.970846 1 871 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 96.88 3.1611834 13.369869 11.227575 1 872 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 94.53 5.502408 12.852886 10.9923935 1 873 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 96.09 3.2274027 14.372383 10.26327 1 874 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 94.53 5.5802555 13.843104 10.0325 1 875 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 94.14 4.451447 14.594974 9.663727 1 876 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 97.27 3.0204914 8.257124 14.261578 1 877 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 96.48 1.7226123 7.8029814 14.729157 1 878 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 96.48 0.83446616 9.006472 15.027378 1 879 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 95.31 1.2672865 9.958401 15.685873 1 880 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 95.7 1.8571113 6.9867716 16.023926 1 881 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 96.88 2.530656 5.656064 15.900662 1 882 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 95.31 3.7318392 5.292569 16.431139 1 883 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 96.88 2.026917 4.489388 15.223383 1 884 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 96.09 4.0162888 3.9803205 16.136211 1 885 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 97.27 2.9874482 3.4586987 15.388073 1 886 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 96.09 0.86098444 4.215155 14.492079 1 887 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 96.88 2.8164926 2.1830406 14.857271 1 888 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 96.09 0.6969538 2.942367 13.959884 1 889 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 95.31 1.6725669 1.9440913 14.14171 1 890 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 97.27 -0.40856647 8.947485 14.556201 1 891 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 97.27 -1.4115462 9.962288 14.890612 1 892 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 96.48 -2.1710832 9.465351 16.122992 1 893 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 95.7 -2.4669123 10.228379 17.029182 1 894 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 96.48 -2.3874946 10.199332 13.715126 1 895 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 94.14 -3.5742712 11.0457 14.170765 1 896 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 94.53 -1.6609348 10.886936 12.560141 1 897 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 96.48 -2.4419003 8.159866 16.125084 1 898 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 96.48 -3.0868478 7.4892135 17.25356 1 899 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 96.09 -2.5096755 6.078303 17.293617 1 900 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 95.31 -2.9608479 5.197668 16.567379 1 901 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 96.09 -4.6046543 7.4596634 17.054573 1 902 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 96.88 -5.35137 6.904375 18.261415 1 903 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 96.09 -4.7655454 6.0970583 19.01146 1 904 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 96.09 -6.536372 7.265933 18.449125 1 905 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 96.48 -1.4945235 5.8969736 18.141113 1 906 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 96.88 -0.7529104 4.651046 18.208982 1 907 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 96.88 -1.609472 3.4415631 18.561043 1 908 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 96.48 -1.4731411 2.378028 17.953716 1 909 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 96.09 0.39646423 4.7920156 19.208841 1 910 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 95.31 1.3990016 3.66585 19.187927 1 911 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 94.92 2.518542 3.9579024 20.176178 1 912 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 94.53 3.5528145 2.8473163 20.188072 1 913 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 92.97 4.630539 3.1332393 21.158928 1 914 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 96.09 -2.4911406 3.613811 19.530807 1 915 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 95.7 -3.3527975 2.530676 19.979462 1 916 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 94.92 -4.3383193 2.0757647 18.90514 1 917 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 92.19 -4.713049 0.91146886 18.856041 1 918 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 95.31 -4.127327 2.9369464 21.243357 1 919 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 95.7 -3.214559 3.2488163 22.412045 1 920 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 93.75 -2.3371046 2.409953 22.727407 1 921 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 94.53 -3.360578 4.337076 23.005005 1 922 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 95.7 -4.7426977 3.0021455 18.049597 1 923 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 96.88 -5.684445 2.6983168 16.980534 1 924 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 97.27 -4.9765596 2.2800994 15.684647 1 925 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 96.09 -5.6093216 1.7513609 14.766157 1 926 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 96.09 -6.59834 3.8977754 16.719791 1 927 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 95.7 -7.832614 3.5558724 15.899551 1 928 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 94.92 -8.847585 4.6928854 15.9108925 1 929 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 94.53 -10.128469 4.2971563 15.183742 1 930 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 92.58 -10.728368 3.053494 15.749474 1 931 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 96.48 -3.6684995 2.5130467 15.61273 1 932 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 97.27 -2.8927066 2.1571312 14.432606 1 933 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 97.66 -2.9470716 3.2013984 13.32888 1 934 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 96.88 -2.6771324 2.8968818 12.166037 1 935 +ATOM N N . THR C0 3 34 . 34 THR C0 N 97.66 -3.2831511 4.4372735 13.697538 1 936 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 97.27 -3.4092329 5.513208 12.722455 1 937 +ATOM C C . THR C0 3 34 . 34 THR C0 C 97.27 -2.0833652 6.2600894 12.5773115 1 938 +ATOM O O . THR C0 3 34 . 34 THR C0 O 96.88 -1.4870698 6.659543 13.574749 1 939 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 96.88 -4.5128264 6.506557 13.128607 1 940 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 94.14 -5.7243247 5.7828617 13.375326 1 941 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 94.92 -4.756569 7.530957 12.028793 1 942 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 97.27 -1.6190097 6.4068446 11.333706 1 943 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 96.88 -0.34841853 7.0772514 11.075413 1 944 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 96.48 -0.4737439 8.088298 9.944803 1 945 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 94.92 -1.4325966 8.067936 9.17481 1 946 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 95.7 0.7496091 6.0493736 10.759232 1 947 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 97.27 0.4652479 5.200597 9.541876 1 948 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 96.88 -0.365973 4.0901423 9.625072 1 949 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 97.27 1.0479771 5.500358 8.317107 1 950 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 96.88 -0.6241152 3.3034992 8.50267 1 951 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 97.27 0.7979961 4.714779 7.194747 1 952 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 96.88 -0.03869935 3.6173959 7.2927146 1 953 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 97.27 0.4950931 9.003305 9.867716 1 954 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 96.88 0.42804033 10.075289 8.886212 1 955 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 97.27 1.7870502 10.398906 8.2721615 1 956 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 95.31 2.8127947 10.330717 8.948481 1 957 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 95.31 -0.14537993 11.329438 9.535148 1 958 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 94.14 -0.34307992 12.509856 8.591548 1 959 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 97.66 -1.1274871 13.647868 9.229639 1 960 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 92.97 -2.2779665 13.919662 8.88526 1 961 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 93.75 -0.50512516 14.298705 10.197422 1 962 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 96.88 1.7771434 10.739188 6.979255 1 963 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 96.48 2.9858174 11.133866 6.2692347 1 964 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 96.09 3.1594582 12.649971 6.299597 1 965 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 94.92 2.1760955 13.387752 6.314513 1 966 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 95.7 2.9294238 10.686472 4.802062 1 967 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 97.27 2.9473493 9.19788 4.602971 1 968 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 97.27 1.7841074 8.518677 4.262492 1 969 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 97.27 4.123288 8.4792185 4.756521 1 970 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 97.27 1.7876146 7.1387577 4.0805025 1 971 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 97.27 4.1392417 7.1013155 4.5752954 1 972 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 96.88 2.9758368 6.4318833 4.238325 1 973 +ATOM N N . SER C0 3 38 . 38 SER C0 N 96.48 4.403639 13.101839 6.296611 1 974 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 96.48 4.7095637 14.527349 6.211852 1 975 +ATOM C C . SER C0 3 38 . 38 SER C0 C 96.09 4.5796814 14.992176 4.7568965 1 976 +ATOM O O . SER C0 3 38 . 38 SER C0 O 95.31 4.98113 14.276281 3.8420358 1 977 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 95.31 6.1336985 14.788067 6.699477 1 978 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 94.53 6.605977 16.042545 6.2559485 1 979 +ATOM N N . SER C0 3 39 . 39 SER C0 N 96.09 4.0423446 16.176758 4.539997 1 980 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 96.09 3.9561381 16.73959 3.1892476 1 981 +ATOM C C . SER C0 3 39 . 39 SER C0 C 96.09 5.3495283 16.9585 2.603031 1 982 +ATOM O O . SER C0 3 39 . 39 SER C0 O 94.53 5.6029034 16.621338 1.4474019 1 983 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 94.92 3.201625 18.072254 3.206465 1 984 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 93.36 1.8179365 17.86892 3.4667137 1 985 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 95.7 6.2519827 17.50605 3.4173384 1 986 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 95.31 7.5900106 17.874117 2.9574394 1 987 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 94.92 8.580965 16.715237 2.856762 1 988 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 94.53 9.507001 16.774822 2.047533 1 989 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 95.31 8.171841 18.979078 3.8452783 1 990 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 95.31 7.4611373 20.320086 3.6865625 1 991 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 95.31 8.102979 21.403952 4.5311575 1 992 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 95.31 7.3773117 22.730913 4.340201 1 993 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 94.14 8.008263 23.829641 5.1259766 1 994 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 96.09 8.415197 15.685806 3.6687002 1 995 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 95.31 9.414143 14.623964 3.7175436 1 996 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 95.31 8.94491 13.237028 3.273271 1 997 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 94.14 9.678958 12.264064 3.418133 1 998 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 94.53 10.01613 14.543552 5.1311893 1 999 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 94.92 10.610846 15.842353 5.5859556 1 1000 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 93.36 9.964218 16.688671 6.459382 1 1001 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 94.14 11.776394 16.450869 5.2834005 1 1002 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 94.14 10.709019 17.770157 6.6638765 1 1003 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 94.53 11.822157 17.642471 5.9507093 1 1004 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 96.09 7.745657 13.156224 2.7151227 1 1005 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 96.48 7.211051 11.869486 2.2834897 1 1006 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 96.48 7.9794664 11.246047 1.1171749 1 1007 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 95.31 8.065975 10.020449 1.0230966 1 1008 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 95.7 5.724219 11.985836 1.9240179 1 1009 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 95.7 5.4156914 12.960519 0.8175024 1 1010 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 95.7 3.905132 13.0774765 0.6273879 1 1011 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 95.7 3.5157247 13.99498 -0.5265999 1 1012 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 94.92 3.833644 15.396471 -0.24549368 1 1013 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 96.88 8.544691 12.061838 0.25187778 1 1014 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 96.48 9.301546 11.551047 -0.882181 1 1015 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 96.48 10.577755 10.832407 -0.45510793 1 1016 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 95.7 10.971693 9.847595 -1.0909989 1 1017 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 96.09 9.641657 12.679306 -1.8687564 1 1018 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 94.53 8.428407 13.355439 -2.515217 1 1019 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 96.09 7.62786 12.429752 -3.4253137 1 1020 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 93.75 6.5118384 12.827808 -3.831405 1 1021 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 94.53 8.102445 11.306593 -3.7283187 1 1022 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 96.88 11.210402 11.308407 0.6081548 1 1023 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 96.88 12.420758 10.664885 1.1246109 1 1024 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 97.27 12.114046 9.231024 1.5655525 1 1025 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 96.88 12.863903 8.298596 1.2687993 1 1026 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 96.48 12.992279 11.459511 2.291719 1 1027 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 97.27 10.994451 9.068116 2.2555983 1 1028 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 97.27 10.579304 7.7486935 2.7086864 1 1029 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 97.66 10.23694 6.8432894 1.5268033 1 1030 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 97.66 10.63909 5.683197 1.4940286 1 1031 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 97.27 9.383709 7.865516 3.66204 1 1032 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 95.7 8.930978 6.5829363 4.365212 1 1033 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 93.75 8.306626 6.916671 5.714184 1 1034 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 95.31 7.9726167 5.7692404 3.5194924 1 1035 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 96.88 9.502132 7.3923435 0.5557679 1 1036 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 96.48 9.12054 6.62413 -0.6219823 1 1037 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 96.88 10.357475 6.16279 -1.3910751 1 1038 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 96.48 10.420935 5.025766 -1.8604542 1 1039 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 96.48 8.213942 7.4577246 -1.5270944 1 1040 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 96.48 11.3378315 7.0400295 -1.5074809 1 1041 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 96.09 12.572535 6.703579 -2.2066479 1 1042 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 95.7 13.315329 5.5670443 -1.5018486 1 1043 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 94.92 13.820099 4.655986 -2.1564326 1 1044 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 95.7 13.469537 7.9449167 -2.3280425 1 1045 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 96.48 14.640257 7.7308536 -3.247581 1 1046 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 92.97 15.760695 8.548345 -3.231109 1 1047 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 92.58 14.87109 6.81324 -4.2115674 1 1048 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 93.36 16.617756 8.130289 -4.148227 1 1049 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 93.75 16.111317 7.0710483 -4.7543974 1 1050 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 96.88 13.356952 5.5952053 -0.1727607 1 1051 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 96.88 14.000519 4.5228896 0.57299817 1 1052 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 96.88 13.29833 3.1975431 0.30812463 1 1053 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 96.48 13.942228 2.1606293 0.1778805 1 1054 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 96.48 14.000815 4.8177185 2.0762384 1 1055 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 95.31 14.5592 3.6440816 2.8845372 1 1056 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 95.31 14.363472 3.8184996 4.364915 1 1057 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 95.31 15.433834 4.578731 4.9881544 1 1058 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 95.31 15.532503 4.7787876 6.290971 1 1059 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 93.75 16.547096 5.4766946 6.770973 1 1060 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 94.14 14.638201 4.262768 7.1191864 1 1061 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 97.27 11.982237 3.2383447 0.22816633 1 1062 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 96.88 11.202791 2.0374131 -0.07303502 1 1063 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 96.48 11.644463 1.4766943 -1.4292123 1 1064 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 96.09 11.848671 0.26858497 -1.5674453 1 1065 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 95.31 9.709143 2.366963 -0.08125982 1 1066 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 97.27 8.802134 1.2680811 -0.5716513 1 1067 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 97.66 7.8549566 1.3700006 -1.55434 1 1068 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 98.05 8.746863 -0.09501896 -0.122842714 1 1069 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 98.44 7.211899 0.17450541 -1.7313151 1 1070 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 98.05 7.738789 -0.7514459 -0.86772263 1 1071 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 98.05 9.446759 -0.82742107 0.838943 1 1072 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 98.44 7.41717 -2.097814 -0.6819382 1 1073 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 98.05 9.126145 -2.1786323 1.0251043 1 1074 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 98.05 8.117148 -2.7839007 0.26320297 1 1075 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 96.48 11.80178 2.3486376 -2.4218988 1 1076 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 96.09 12.2363825 1.917419 -3.743565 1 1077 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 96.09 13.62986 1.3121209 -3.7391226 1 1078 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 95.31 13.877916 0.3046185 -4.407838 1 1079 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 97.27 14.544226 1.909769 -2.9879947 1 1080 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 96.88 15.916157 1.4033849 -2.876523 1 1081 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 96.88 15.897341 -0.00808784 -2.3007529 1 1082 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 94.53 16.552921 -0.9075597 -2.8168159 1 1083 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 96.88 16.770407 2.3221188 -1.9714346 1 1084 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 95.31 16.929005 3.705431 -2.6104455 1 1085 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 94.53 18.143194 1.686151 -1.7281077 1 1086 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 93.75 17.519466 4.74749 -1.6613874 1 1087 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 96.88 15.126645 -0.19015709 -1.2327971 1 1088 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 96.48 15.021971 -1.4810908 -0.5750753 1 1089 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 96.09 14.472454 -2.5635123 -1.5058888 1 1090 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 94.14 14.969025 -3.6856022 -1.516762 1 1091 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 95.7 14.14382 -1.364162 0.6674615 1 1092 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 94.92 14.031257 -2.6658158 1.4435475 1 1093 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 95.31 13.560583 -2.450943 2.8691745 1 1094 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 94.14 13.689202 -1.3524082 3.4273653 1 1095 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 92.97 13.011148 -3.4900606 3.475285 1 1096 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 96.88 13.450953 -2.222553 -2.2777658 1 1097 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 96.09 12.83843 -3.181104 -3.2058785 1 1098 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 94.53 13.691652 -3.435441 -4.45416 1 1099 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 90.23 13.443659 -4.404795 -5.183209 1 1100 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 95.7 11.452759 -2.7037234 -3.6213632 1 1101 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 95.31 10.386707 -2.776754 -2.5247998 1 1102 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 94.53 9.985426 -4.218581 -2.2000856 1 1103 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 95.7 9.3103285 -4.950729 -3.3608513 1 1104 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 95.7 7.8762693 -4.6494646 -3.3832915 1 1105 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 95.7 14.675558 -2.593892 -4.7050323 1 1106 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 95.31 15.509975 -2.7399418 -5.8891506 1 1107 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 94.92 14.765505 -2.4372747 -7.1760406 1 1108 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 92.19 15.034676 -3.056456 -8.20327 1 1109 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 95.7 13.82608 -1.4956815 -7.108121 1 1110 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 94.92 13.056303 -1.1027576 -8.276762 1 1111 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 93.36 13.975933 -0.4835599 -9.317934 1 1112 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 90.62 14.9835415 0.1300785 -8.976116 1 1113 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 94.53 11.961439 -0.08990337 -7.903617 1 1114 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 95.7 10.891279 -0.68698406 -7.0161176 1 1115 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 91.41 10.192347 0.03627389 -6.294304 1 1116 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 92.97 10.732883 -2.0054698 -7.0492783 1 1117 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 95.7 13.633736 -0.6594721 -10.60062 1 1118 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 95.7 14.4802475 -0.12039723 -11.658197 1 1119 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 95.7 14.3198395 1.3831828 -11.795052 1 1120 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 94.53 15.270736 2.0801668 -12.12599 1 1121 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 94.92 14.230887 -0.855386 -12.976824 1 1122 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 94.92 13.341661 -0.18112516 -13.970791 1 1123 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 94.53 13.23435 -1.0278463 -15.249692 1 1124 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 94.53 13.228874 -0.15334532 -16.449062 1 1125 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 94.14 14.330381 0.1636112 -17.153723 1 1126 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 92.97 15.506997 -0.31946197 -16.797928 1 1127 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 92.58 14.232747 0.9622739 -18.1884 1 1128 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 94.53 13.117651 1.8984108 -11.525864 1 1129 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 95.7 12.8672905 3.3413792 -11.542944 1 1130 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 96.09 12.739422 3.8828764 -10.128509 1 1131 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 94.53 12.561453 3.125976 -9.177824 1 1132 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 94.92 11.601757 3.6659389 -12.342377 1 1133 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 94.92 11.697681 3.3322039 -13.816996 1 1134 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 94.92 10.56073 3.9859421 -14.613151 1 1135 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 94.14 10.801861 5.468907 -14.7846985 1 1136 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 93.36 9.986574 6.063648 -15.876057 1 1137 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 95.7 12.808996 5.1887856 -9.98475 1 1138 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 96.09 12.70957 5.8380165 -8.68639 1 1139 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 96.09 11.290059 5.761537 -8.133441 1 1140 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 95.7 10.323709 5.98898 -8.860695 1 1141 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 96.09 13.154874 7.297183 -8.78959 1 1142 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 96.09 13.256876 8.004051 -7.447365 1 1143 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 95.7 13.666111 9.463486 -7.6284013 1 1144 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 95.31 13.652406 10.203338 -6.3004 1 1145 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 94.14 13.981639 11.642979 -6.4529595 1 1146 +ATOM N N . MET C0 3 59 . 59 MET C0 N 96.09 11.18258 5.4341288 -6.842613 1 1147 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 96.48 9.882145 5.3561106 -6.176475 1 1148 +ATOM C C . MET C0 3 59 . 59 MET C0 C 96.48 9.458847 6.7411017 -5.7143188 1 1149 +ATOM O O . MET C0 3 59 . 59 MET C0 O 95.7 10.280952 7.5084953 -5.19772 1 1150 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 95.31 9.953865 4.3967004 -4.9804144 1 1151 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 94.53 8.654084 4.300755 -4.158758 1 1152 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 96.48 7.214287 3.719748 -5.0867567 1 1153 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 91.8 7.7495813 2.0609612 -5.534277 1 1154 +ATOM N N . THR C0 3 60 . 60 THR C0 N 96.09 8.188332 7.0772257 -5.9146514 1 1155 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 95.31 7.6294413 8.356651 -5.489742 1 1156 +ATOM C C . THR C0 3 60 . 60 THR C0 C 95.7 6.5107846 8.090666 -4.483578 1 1157 +ATOM O O . THR C0 3 60 . 60 THR C0 O 95.31 5.9912887 6.981051 -4.4025683 1 1158 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 94.92 7.0209913 9.141899 -6.6686716 1 1159 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 94.53 5.942993 8.374304 -7.222493 1 1160 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 95.7 8.068123 9.408325 -7.746299 1 1161 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 96.48 6.1322117 9.1198015 -3.729659 1 1162 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 95.7 5.0229053 8.960366 -2.793821 1 1163 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 95.7 3.7404537 8.586344 -3.5460763 1 1164 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 94.53 2.9524546 7.758796 -3.078424 1 1165 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 94.14 4.7819614 10.228748 -1.9577746 1 1166 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 96.48 3.530974 10.088945 -1.108093 1 1167 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 96.09 2.3251348 10.662876 -1.5105932 1 1168 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 96.48 3.5436578 9.331667 0.05691397 1 1169 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 96.48 1.166062 10.492471 -0.7595774 1 1170 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 96.48 2.393286 9.15444 0.811555 1 1171 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 96.48 1.212652 9.731552 0.39476714 1 1172 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 96.09 0.068949185 9.55673 1.1360741 1 1173 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 95.7 3.5484426 9.18385 -4.711478 1 1174 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 95.31 2.3569655 8.923892 -5.5061502 1 1175 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 95.31 2.2022414 7.4288206 -5.8180895 1 1176 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 94.92 1.1170518 6.866477 -5.671676 1 1177 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 94.53 2.4049654 9.725218 -6.800356 1 1178 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 92.97 1.0623751 9.812081 -7.51824 1 1179 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 94.53 1.0901945 10.760702 -8.694452 1 1180 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 92.58 1.5592266 10.406 -9.779404 1 1181 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 92.97 0.6150872 11.983895 -8.48425 1 1182 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 96.09 3.2980165 6.7869573 -6.2470946 1 1183 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 95.7 3.2609 5.3616457 -6.5421333 1 1184 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 94.92 3.1206474 4.5186877 -5.28038 1 1185 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 94.14 2.4557261 3.4789283 -5.295885 1 1186 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 95.31 4.499587 4.9452977 -7.347987 1 1187 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 95.7 4.4689093 5.4100513 -8.802254 1 1188 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 96.09 5.6067705 4.802822 -9.628687 1 1189 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 95.7 6.968194 5.3758717 -9.234661 1 1190 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 94.53 8.0417385 4.8318224 -10.069237 1 1191 +ATOM N N . MET C0 3 64 . 64 MET C0 N 96.88 3.7505598 4.941333 -4.1934366 1 1192 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 96.48 3.6353135 4.21356 -2.9416547 1 1193 +ATOM C C . MET C0 3 64 . 64 MET C0 C 96.48 2.1892557 4.269924 -2.4462788 1 1194 +ATOM O O . MET C0 3 64 . 64 MET C0 O 95.7 1.6549693 3.2699895 -1.9654807 1 1195 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 95.7 4.5835648 4.7767286 -1.8785638 1 1196 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 94.92 4.6925488 3.8647306 -0.6529093 1 1197 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 96.48 5.931643 4.4327135 0.54627967 1 1198 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 93.75 5.1504765 5.9321766 1.1295156 1 1199 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 96.48 1.5615151 5.444845 -2.604171 1 1200 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 95.7 0.16736266 5.6109924 -2.2055964 1 1201 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 95.7 -0.7468804 4.7419624 -3.0653617 1 1202 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 95.31 -1.743355 4.204762 -2.5758595 1 1203 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 95.7 -0.2486349 7.0755835 -2.3109837 1 1204 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 95.7 -0.41823345 4.602222 -4.364094 1 1205 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 94.92 -1.1810956 3.726221 -5.246669 1 1206 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 94.53 -1.1534278 2.2863622 -4.7105913 1 1207 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 92.97 -2.1970015 1.6218967 -4.6691303 1 1208 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 93.75 -0.6022877 3.7953892 -6.6772447 1 1209 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 94.53 -1.1554127 2.7624223 -7.6746483 1 1210 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 95.31 -2.5326273 3.1534102 -8.226636 1 1211 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 94.53 -3.5759788 2.4423695 -7.497599 1 1212 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 95.31 -4.2844276 1.4526231 -7.9911823 1 1213 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 93.36 -5.197281 0.85427225 -7.2378473 1 1214 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 92.97 -4.0666327 1.0307323 -9.241684 1 1215 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 96.09 0.009370745 1.8395283 -4.288941 1 1216 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 95.7 0.15732878 0.5023253 -3.7217193 1 1217 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 96.09 -0.589998 0.39896625 -2.3942094 1 1218 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 94.92 -1.2648053 -0.596743 -2.1131887 1 1219 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 94.92 1.6313922 0.17223963 -3.5250914 1 1220 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 96.88 -0.4667216 1.4582682 -1.5703002 1 1221 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 96.09 -1.1343448 1.5218736 -0.27527767 1 1222 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 96.48 -2.6448424 1.419738 -0.4296415 1 1223 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 95.31 -3.3126125 0.7365278 0.34823602 1 1224 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 96.48 -0.7708019 2.85435 0.39002413 1 1225 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 96.09 -0.19324605 2.9567933 1.8043244 1 1226 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 95.31 0.709265 4.176369 1.8564445 1 1227 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 94.92 0.50422454 1.712157 2.2649477 1 1228 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 96.88 -3.1870503 2.0932198 -1.460315 1 1229 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 96.09 -4.6320863 2.0574694 -1.7012454 1 1230 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 94.92 -5.1463656 0.6450678 -1.9440459 1 1231 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 92.97 -6.265317 0.31260478 -1.5567925 1 1232 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 94.14 -5.00156 2.9344535 -2.8975353 1 1233 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 93.75 -5.429208 4.332795 -2.5380247 1 1234 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 95.31 -6.072975 5.077922 -3.7081094 1 1235 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 95.7 -5.3390293 5.0627713 -4.9555535 1 1236 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 96.48 -4.324196 5.867538 -5.269327 1 1237 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 95.31 -3.902617 6.771263 -4.4085174 1 1238 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 95.31 -3.7411802 5.7693663 -6.4495993 1 1239 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 95.7 -4.3231134 -0.19421107 -2.560461 1 1240 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 94.92 -4.723654 -1.5730375 -2.820931 1 1241 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 94.53 -4.9366484 -2.3661497 -1.5296074 1 1242 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 93.36 -5.6956043 -3.33319 -1.5107446 1 1243 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 94.53 -3.6929426 -2.286973 -3.7118883 1 1244 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 95.31 -3.7184787 -1.7920152 -5.1502686 1 1245 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 92.19 -2.739996 -1.9475425 -5.890415 1 1246 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 92.97 -4.8230677 -1.1919427 -5.552912 1 1247 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 96.09 -4.2668247 -1.9554428 -0.44798553 1 1248 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 95.7 -4.447567 -2.6117766 0.8376157 1 1249 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 94.92 -5.856537 -2.3953736 1.3955216 1 1250 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 92.19 -6.290872 -3.125469 2.281901 1 1251 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 94.53 -3.4163396 -2.1263225 1.8581312 1 1252 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 96.09 -2.025639 -2.6593995 1.6572795 1 1253 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 96.09 -0.9201819 -1.8170633 1.7427787 1 1254 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 96.09 -1.7913743 -4.013157 1.4373088 1 1255 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 96.09 0.36838344 -2.303066 1.5958793 1 1256 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 96.48 -0.50691295 -4.5074224 1.2842216 1 1257 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 96.09 0.56327283 -3.6450236 1.368914 1 1258 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 95.7 1.8383107 -4.122256 1.2302097 1 1259 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 95.7 -6.56301 -1.408258 0.85654914 1 1260 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 95.31 -7.9395475 -1.1617851 1.269695 1 1261 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 94.92 -8.849518 -2.2922792 0.8130394 1 1262 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 93.36 -9.844208 -2.6040826 1.4700104 1 1263 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 96.48 -8.497283 -2.9021184 -0.31652978 1 1264 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 96.09 -9.267355 -4.0319424 -0.8516768 1 1265 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 95.31 -8.947636 -5.3292475 -0.11752929 1 1266 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 93.36 -9.808981 -6.2012234 -0.012107292 1 1267 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 95.7 -8.987156 -4.2081842 -2.3428288 1 1268 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 95.7 -9.355804 -3.0045342 -3.1958022 1 1269 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 96.09 -10.8463335 -2.9907265 -3.5210514 1 1270 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 95.31 -11.289972 -4.2432666 -4.2568116 1 1271 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 94.53 -12.404851 -3.9862118 -5.1873665 1 1272 +ATOM N N . THR C0 3 74 . 74 THR C0 N 95.7 -7.7123923 -5.45592 0.3707317 1 1273 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 95.7 -7.271071 -6.6817026 1.0413733 1 1274 +ATOM C C . THR C0 3 74 . 74 THR C0 C 95.7 -7.210682 -6.545678 2.5656455 1 1275 +ATOM O O . THR C0 3 74 . 74 THR C0 O 94.14 -6.9601135 -7.5278974 3.2661414 1 1276 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 94.53 -5.8976555 -7.140094 0.5151572 1 1277 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 93.75 -4.9598064 -6.0726776 0.6456821 1 1278 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 93.36 -6.0005045 -7.538503 -0.95579135 1 1279 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 94.53 -7.4498262 -5.3360763 3.0772111 1 1280 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 95.31 -7.6279144 -5.120282 4.496278 1 1281 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 96.48 -6.4204416 -4.891014 5.3915777 1 1282 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 94.92 -6.5776978 -4.802463 6.611528 1 1283 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 95.7 -5.2015123 -4.7854776 4.837383 1 1284 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 95.7 -4.021698 -4.5740595 5.678768 1 1285 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 96.09 -3.9156024 -3.1266882 6.147476 1 1286 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 95.31 -3.4996827 -2.861152 7.2835445 1 1287 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 94.92 -2.7361512 -4.9735627 4.937016 1 1288 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 94.53 -2.6451492 -6.470923 4.6229987 1 1289 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 94.92 -3.1555498 -6.796526 3.2354198 1 1290 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 94.53 -3.975578 -6.0268307 2.67984 1 1291 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 94.14 -2.7472878 -7.8241735 2.6801412 1 1292 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 96.48 -4.252904 -2.1834803 5.291918 1 1293 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 96.48 -4.2225986 -0.7546515 5.589999 1 1294 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 96.48 -5.4346724 -0.09700294 4.948354 1 1295 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 95.7 -5.8255377 -0.4680382 3.840468 1 1296 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 95.7 -2.9439538 -0.07541796 5.041413 1 1297 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 94.53 -2.9560509 1.4192232 5.337014 1 1298 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 94.92 -1.6934566 -0.7173988 5.637482 1 1299 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 95.7 -6.0361404 0.8600209 5.6270084 1 1300 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 96.09 -7.165654 1.6046928 5.0793176 1 1301 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 95.31 -6.8714824 3.091319 5.1176324 1 1302 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 94.92 -6.143667 3.5722563 5.982195 1 1303 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 95.31 -8.443518 1.2794814 5.8479295 1 1304 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 94.14 -8.898865 -0.14728837 5.6371818 1 1305 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 92.58 -10.219768 -0.43030939 6.3245497 1 1306 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 94.14 -10.647909 -1.8658009 6.0561676 1 1307 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 92.58 -11.96354 -2.1668897 6.70623 1 1308 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 96.48 -7.42691 3.8164172 4.153413 1 1309 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 96.48 -7.274624 5.2631245 4.087981 1 1310 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 96.09 -8.222701 5.8912163 5.0998917 1 1311 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 94.92 -9.361494 5.4517846 5.223891 1 1312 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 96.09 -7.6191216 5.75665 2.685226 1 1313 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 95.31 -7.411664 7.258583 2.456716 1 1314 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 94.92 -5.953222 7.6655335 2.609382 1 1315 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 95.31 -5.7386274 9.129938 2.2113435 1 1316 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 94.14 -4.6491084 9.747318 2.9883738 1 1317 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 96.09 -7.7684197 6.8830585 5.883588 1 1318 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 96.09 -8.69101 7.61615 6.7387953 1 1319 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 95.7 -8.905213 8.991428 6.121261 1 1320 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 94.14 -8.046911 9.508369 5.414857 1 1321 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 95.31 -8.303062 7.648552 8.254377 1 1322 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 94.14 -7.9749193 9.064636 8.72138 1 1323 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 94.92 -7.21231 6.659543 8.5788555 1 1324 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 95.7 -10.081119 9.555844 6.3390865 1 1325 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 95.7 -10.475839 10.797705 5.6756196 1 1326 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 95.31 -9.772259 12.016705 6.2591653 1 1327 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 93.75 -10.392725 12.928936 6.7840776 1 1328 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 95.31 -12.019806 10.953944 5.7033806 1 1329 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 94.92 -12.699375 9.92282 4.8345957 1 1330 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 94.53 -13.996362 9.373905 5.4897957 1 1331 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 93.75 -13.7465515 8.872011 6.907933 1 1332 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 92.97 -12.797485 7.718768 7.0292935 1 1333 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 96.09 -8.434509 11.993796 6.18401 1 1334 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 95.7 -7.5946045 13.099862 6.6208744 1 1335 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 96.09 -6.3612227 13.086771 5.724969 1 1336 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 95.31 -5.8669395 12.024494 5.349316 1 1337 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 95.31 -7.211982 12.933575 8.096592 1 1338 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 95.31 -6.7134504 14.206764 8.743097 1 1339 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 95.31 -7.1605062 14.293726 10.224527 1 1340 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 94.92 -6.218999 13.555008 11.156342 1 1341 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 93.36 -4.8408227 14.121025 11.126465 1 1342 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 95.7 -5.8800697 14.270521 5.359273 1 1343 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 96.09 -4.7729535 14.413607 4.4332376 1 1344 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 96.48 -3.5416076 13.604078 4.847813 1 1345 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 95.7 -3.0245185 13.778186 5.9578724 1 1346 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 95.31 -4.4089365 15.892422 4.2922034 1 1347 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 95.31 -3.4333382 16.2215 3.173015 1 1348 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 94.92 -3.3162656 17.73861 3.0319898 1 1349 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 94.92 -2.2528973 18.133615 2.0201044 1 1350 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 93.75 -2.1283855 19.59779 1.9208965 1 1351 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 96.88 -3.1173594 12.688181 3.969902 1 1352 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 96.48 -1.9245824 11.872406 4.174551 1 1353 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 96.48 -2.00098 10.91149 5.3565016 1 1354 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 95.7 -0.96101284 10.430974 5.812851 1 1355 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 96.48 -0.6814486 12.772106 4.3063197 1 1356 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 96.88 -0.36062074 13.601955 3.0416226 1 1357 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 94.92 0.48556805 14.810665 3.4102798 1 1358 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 96.48 0.35567588 12.735876 2.013463 1 1359 +ATOM N N . THR C0 3 85 . 85 THR C0 N 96.88 -3.1946592 10.603001 5.842806 1 1360 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 96.48 -3.2722979 9.694351 6.9729204 1 1361 +ATOM C C . THR C0 3 85 . 85 THR C0 C 96.88 -3.9459946 8.349085 6.644789 1 1362 +ATOM O O . THR C0 3 85 . 85 THR C0 O 95.7 -4.928738 8.281074 5.908529 1 1363 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 95.7 -3.7854486 10.368856 8.2871685 1 1364 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 92.58 -4.971476 9.744814 8.752256 1 1365 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 93.36 -3.9406552 11.843188 8.1617155 1 1366 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 96.88 -3.3356462 7.280904 7.1613846 1 1367 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 96.88 -3.7419186 5.907816 6.9212112 1 1368 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 96.48 -3.8774257 5.1693664 8.241852 1 1369 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 95.31 -3.5438929 5.701251 9.2981 1 1370 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 95.7 -2.7180293 5.2019734 6.025031 1 1371 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 96.88 -2.7333717 5.670868 4.587434 1 1372 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 96.48 -2.1092741 6.8556433 4.213557 1 1373 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 96.88 -3.3746374 4.937047 3.5991025 1 1374 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 96.09 -2.1232567 7.3066454 2.8976207 1 1375 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 96.48 -3.3935199 5.3695583 2.2760348 1 1376 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 96.09 -2.7694056 6.5522428 1.9361091 1 1377 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 95.31 -2.793118 6.990462 0.6307391 1 1378 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 96.88 -4.3724504 3.9310694 8.181038 1 1379 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 96.48 -4.590216 3.1605 9.4017105 1 1380 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 96.48 -4.328229 1.6693909 9.203621 1 1381 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 95.7 -4.88943 1.050631 8.307058 1 1382 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 95.7 -6.0190372 3.3826103 9.901722 1 1383 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 94.92 -6.3241425 2.6964355 11.217228 1 1384 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 96.88 -7.732078 2.984941 11.701393 1 1385 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 94.14 -8.558907 3.5451105 10.970991 1 1386 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 93.36 -8.0271015 2.6096478 12.937632 1 1387 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 97.27 -3.4674034 1.0942459 10.059296 1 1388 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 96.88 -3.1872382 -0.3361301 10.0310135 1 1389 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 96.09 -4.368785 -1.1142734 10.603718 1 1390 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 94.53 -5.0413656 -0.63268816 11.519384 1 1391 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 96.09 -1.9541062 -0.6649225 10.87195 1 1392 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 97.27 -0.6470677 -0.24727124 10.264773 1 1393 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 96.88 0.11889586 0.73695356 10.869027 1 1394 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 97.27 -0.1823159 -0.8455837 9.1071 1 1395 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 97.27 1.3396262 1.1288698 10.322786 1 1396 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 97.27 1.0325975 -0.46391305 8.553643 1 1397 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 97.27 1.793768 0.52273893 9.158563 1 1398 +ATOM N N . SER C0 3 89 . 89 SER C0 N 97.27 -4.6028166 -2.3024294 10.068766 1 1399 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 96.48 -5.638843 -3.1766984 10.610758 1 1400 +ATOM C C . SER C0 3 89 . 89 SER C0 C 94.92 -5.125251 -3.8149874 11.896763 1 1401 +ATOM O O . SER C0 3 89 . 89 SER C0 O 91.41 -3.9181402 -3.823023 12.15539 1 1402 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 95.7 -5.995555 -4.2722535 9.607134 1 1403 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 93.75 -4.9206038 -5.1947703 9.481411 1 1404 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 95.31 -6.04914 -4.3480372 12.698364 1 1405 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 95.31 -5.6600437 -5.0368147 13.911892 1 1406 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 94.92 -4.7854223 -6.2406044 13.610354 1 1407 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 92.97 -3.8798208 -6.5650935 14.372133 1 1408 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 94.92 -5.0433865 -6.8965693 12.4965515 1 1409 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 95.31 -4.2612114 -8.05537 12.070322 1 1410 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 95.31 -2.7892356 -7.678319 11.882326 1 1411 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 93.36 -1.8944094 -8.3748455 12.365514 1 1412 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 93.75 -4.817835 -8.631891 10.765129 1 1413 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 93.36 -3.9450972 -9.698755 10.112389 1 1414 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 92.97 -4.4550085 -10.121739 8.750458 1 1415 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 91.8 -5.2191687 -11.107502 8.67182 1 1416 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 91.02 -4.1181707 -9.458244 7.751882 1 1417 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 96.48 -2.5511718 -6.5844746 11.166107 1 1418 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 96.09 -1.196738 -6.1054125 10.908188 1 1419 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 94.14 -0.4975232 -5.7003856 12.207661 1 1420 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 90.23 0.70770717 -5.869582 12.349465 1 1421 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 95.31 -1.2040492 -4.924489 9.905661 1 1422 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 94.14 0.12655208 -4.1949897 9.888994 1 1423 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 94.53 -1.5591886 -5.437229 8.515022 1 1424 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 96.88 -1.2622429 -5.17307 13.163046 1 1425 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 95.7 -0.73592985 -4.741766 14.45455 1 1426 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 92.19 -0.47361523 -5.90788 15.411459 1 1427 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 86.33 0.13448948 -5.7211204 16.465416 1 1428 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 95.31 -1.6961751 -3.7477994 15.116432 1 1429 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 95.7 -1.8299233 -2.3702283 14.462669 1 1430 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 95.31 -2.9940987 -1.6033051 15.07902 1 1431 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 94.92 -0.54004586 -1.5770088 14.600032 1 1432 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 94.14 -0.93663436 -7.0735264 15.059653 1 1433 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 93.36 -0.7518058 -8.249716 15.897979 1 1434 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 92.58 -1.6723106 -8.29508 17.091625 1 1435 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 88.67 -1.2559488 -8.709508 18.180275 1 1436 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 92.19 -2.905306 -7.845948 16.897327 1 1437 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 91.02 -3.893764 -7.826123 17.987457 1 1438 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 89.45 -5.061926 -8.776789 17.709616 1 1439 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 85.16 -6.200447 -8.491366 18.083538 1 1440 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 89.84 -4.4089475 -6.4111214 18.197704 1 1441 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 89.45 -3.3991637 -5.524315 18.906483 1 1442 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 89.06 -4.05555 -4.300043 19.501358 1 1443 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 88.67 -3.9867487 -3.1420968 18.602846 1 1444 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 88.28 -5.0603104 -2.4584756 18.188942 1 1445 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 87.5 -4.8999743 -1.4265392 17.382551 1 1446 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 87.11 -6.273967 -2.806799 18.580027 1 1447 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 90.62 -4.7828727 -9.897461 17.085327 1 1448 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 90.23 -5.8169603 -10.882096 16.813118 1 1449 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 89.84 -6.3373218 -11.493327 18.098976 1 1450 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 86.72 -5.5676 -11.82313 18.99587 1 1451 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 89.84 -7.6407614 -11.609477 18.168077 1 1452 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 89.84 -8.24609 -12.229303 19.337065 1 1453 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 89.45 -8.707626 -11.256065 20.410103 1 1454 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 85.94 -9.528383 -11.608094 21.2687 1 1455 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 91.8 -8.172536 -10.019572 20.376398 1 1456 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 91.8 -8.546707 -9.018595 21.375166 1 1457 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 91.8 -10.030481 -8.708334 21.293148 1 1458 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 90.23 -10.715441 -8.618124 22.314297 1 1459 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 90.62 -7.722083 -7.7407103 21.177965 1 1460 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 90.62 -7.815092 -6.688978 22.290104 1 1461 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 89.45 -7.0029197 -5.4472437 21.919806 1 1462 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 88.28 -7.3330584 -7.259907 23.627184 1 1463 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 88.28 -10.532251 -8.527069 20.07278 1 1464 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 89.06 -11.9524975 -8.261938 19.855556 1 1465 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 89.84 -12.806509 -9.461043 20.272453 1 1466 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 87.11 -13.934427 -9.296072 20.735168 1 1467 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 87.11 -12.209192 -7.918515 18.387623 1 1468 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 91.41 -12.228707 -10.655962 20.111603 1 1469 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 91.02 -12.926077 -11.884933 20.48021 1 1470 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 90.62 -13.12669 -12.003704 21.993057 1 1471 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 87.89 -14.11679 -12.587499 22.452866 1 1472 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 89.84 -12.15247 -13.107735 19.971436 1 1473 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 90.23 -11.989544 -13.16324 18.460587 1 1474 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 89.06 -11.030265 -14.268604 18.032394 1 1475 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 87.5 -10.267914 -14.0784 17.077347 1 1476 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 87.11 -11.0223 -15.338444 18.685246 1 1477 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 91.02 -12.153375 -11.458387 22.754581 1 1478 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 91.02 -12.190331 -11.561577 24.212353 1 1479 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 91.41 -13.153743 -10.568237 24.856949 1 1480 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 89.06 -13.474035 -10.703207 26.043373 1 1481 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 89.45 -10.786186 -11.356031 24.785915 1 1482 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 89.06 -9.799732 -12.472469 24.425734 1 1483 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 87.89 -8.51782 -12.383049 25.261513 1 1484 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 85.94 -7.721266 -11.195064 24.92815 1 1485 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 84.38 -6.8259773 -11.13879 23.931648 1 1486 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 83.59 -6.622652 -12.191299 23.153244 1 1487 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 83.59 -6.126651 -10.011877 23.7169 1 1488 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 89.84 -13.653231 -9.574526 24.084686 1 1489 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 90.23 -14.511241 -8.525068 24.630852 1 1490 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 89.84 -15.975672 -8.916967 24.744179 1 1491 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 87.89 -16.522434 -9.574086 23.857103 1 1492 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 89.06 -14.387837 -7.232615 23.79931 1 1493 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 89.45 -13.048647 -6.5356197 23.972076 1 1494 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 89.06 -12.909327 -5.3438454 23.03754 1 1495 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 88.28 -11.568696 -4.778041 23.115208 1 1496 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 87.11 -10.869028 -4.3816195 22.064877 1 1497 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 86.33 -9.651749 -3.8805099 22.216644 1 1498 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 86.33 -11.380894 -4.472515 20.84939 1 1499 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 91.41 -16.627079 -8.481049 25.84092 1 1500 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 91.02 -18.05966 -8.690855 26.093485 1 1501 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 90.62 -18.653759 -7.3653812 26.500196 1 1502 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 87.89 -18.031229 -6.629674 27.29324 1 1503 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 89.84 -18.272709 -9.731001 27.19992 1 1504 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 91.41 -17.727888 -11.102673 26.869865 1 1505 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 90.23 -17.996548 -11.764139 25.673717 1 1506 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 89.84 -16.9239 -11.883069 27.618057 1 1507 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 88.67 -17.406645 -12.92477 25.634148 1 1508 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 88.28 -16.682526 -13.047375 26.889439 1 1509 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 91.02 -19.779411 -7.0319533 25.931313 1 1510 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 91.8 -20.572208 -7.8472157 24.992378 1 1511 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 92.58 -20.136532 -7.64818 23.542458 1 1512 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 91.02 -18.935614 -7.5286417 23.302744 1 1513 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 90.62 -21.993046 -7.3268776 25.201153 1 1514 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 90.62 -21.789295 -5.8720965 25.523418 1 1515 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 91.02 -20.482605 -5.804888 26.278809 1 1516 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 89.84 -21.038166 -7.6001043 22.52341 1 1517 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 91.02 -20.701729 -7.520093 21.09143 1 1518 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 91.41 -19.904518 -6.2779713 20.697124 1 1519 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 89.84 -19.695341 -5.389139 21.521608 1 1520 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 89.45 -22.073675 -7.515506 20.408884 1 1521 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 89.45 -22.996944 -6.9253798 21.40485 1 1522 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 90.23 -22.532291 -7.54012 22.70908 1 1523 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 90.62 -19.428566 -6.2809057 19.396126 1 1524 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 90.23 -18.64693 -5.1976843 18.80098 1 1525 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 91.02 -17.557383 -4.6950083 19.721184 1 1526 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 88.67 -16.36089 -5.08897 19.573153 1 1527 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 89.06 -19.550604 -4.0497704 18.35268 1 1528 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 89.45 -20.24005 -4.3082466 17.042616 1 1529 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 88.28 -20.26162 -5.547165 16.463278 1 1530 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 87.11 -20.917446 -3.4814072 16.220602 1 1531 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 85.94 -20.936323 -5.5029707 15.315063 1 1532 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 85.55 -21.346268 -4.233161 15.145296 1 1533 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 85.94 -17.864786 -3.946764 20.581188 1 1534 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_3_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_3_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..4c766224f006ac123c927a02457b7cb5c251719b --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_3_postprocessed.cif @@ -0,0 +1,1869 @@ +data_8e3r-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 0 -13.326912 27.395668 -15.51408 1 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 0 -13.946823 28.14739 -14.36732 1 2 1 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 0 -13.981893 27.837326 -12.99823 1 3 1 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 0 -15.443795 28.362461 -14.981976 1 4 1 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 0 -13.230651 29.552467 -14.602137 1 5 1 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 0 -12.730412 30.44072 -13.7463455 1 6 1 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 0 -11.297232 30.35577 -13.270216 1 7 1 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 0 -11.364353 30.149853 -11.8260975 1 8 1 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 0 -10.345261 29.286064 -13.806806 1 9 1 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 0 -9.031145 29.827309 -13.918968 1 10 1 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 0 -10.410698 28.200169 -12.73592 1 11 1 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 0 -10.607 29.005043 -11.471316 1 12 1 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 0 -11.324198 28.284153 -10.414297 1 13 1 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 0 -12.533173 27.654312 -10.499833 1 14 1 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 0 -12.939179 27.115288 -9.377792 1 15 1 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 0 -11.929365 27.416298 -8.479838 1 16 1 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 0 -11.753954 27.129719 -7.1211114 1 17 1 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 0 -12.6447315 26.44514 -6.3926816 1 18 1 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 0 -10.620481 27.586632 -6.533353 1 19 1 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 0 -9.729555 28.27549 -7.263745 1 20 1 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 0 -9.783419 28.604391 -8.557074 1 21 1 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 0 -10.921644 28.138168 -9.111206 1 22 1 +ATOM P P . DA A0 1 2 . 2 DA A0 P 0 -7.8321137 29.211506 -14.650015 1 23 1 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 0 -8.332985 28.0474 -15.408071 1 24 1 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 0 -7.071191 30.28887 -15.339945 1 25 1 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 0 -6.943495 28.671478 -13.436682 1 26 1 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 0 -6.4059544 29.582964 -12.501329 1 27 1 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 0 -5.617921 28.85065 -11.445082 1 28 1 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 0 -6.52529 28.256523 -10.479056 1 29 1 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 0 -4.73612 27.727789 -11.968689 1 30 1 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 0 -3.448814 27.841446 -11.369842 1 31 1 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 0 -5.4750733 26.456793 -11.547836 1 32 1 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 0 -6.1973925 26.89819 -10.283397 1 33 1 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 0 -7.450493 26.201332 -9.982701 1 34 1 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 0 -8.465646 25.905533 -10.85367 1 35 1 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 0 -9.479361 25.291523 -10.296446 1 36 1 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 0 -9.111227 25.182043 -8.964985 1 37 1 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 0 -9.759669 24.626637 -7.849615 1 38 1 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 0 -10.971946 24.060047 -7.9069366 1 39 1 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 0 -9.121051 24.675549 -6.6635323 1 40 1 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 0 -7.912994 25.246305 -6.614144 1 41 1 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 0 -7.202648 25.802174 -7.59078 1 42 1 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 0 -7.8636985 25.734707 -8.754417 1 43 1 +ATOM P P . DT A0 1 3 . 3 DT A0 P 0 -2.2400963 26.835968 -11.778381 1 44 1 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 0 -2.6540575 26.000473 -12.930098 1 45 1 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 0 -0.99891245 27.66378 -11.85955 1 46 1 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 0 -2.1424463 25.898382 -10.500208 1 47 1 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 0 -2.4220176 26.440964 -9.225403 1 48 1 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 0 -2.406208 25.35015 -8.178847 1 49 1 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 0 -3.749433 24.840298 -7.957991 1 50 1 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 0 -1.5503383 24.138813 -8.5183 1 51 1 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 0 -0.8491034 23.758987 -7.3491635 1 52 1 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 0 -2.5635276 23.081133 -8.929636 1 53 1 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 0 -3.726018 23.432804 -8.025731 1 54 1 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 0 -5.0761275 22.98005 -8.454774 1 55 1 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 0 -5.9364967 22.536625 -7.4726453 1 56 1 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 0 -5.6475687 22.489847 -6.289328 1 57 1 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 0 -7.166177 22.143822 -7.9227314 1 58 1 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 0 -7.611888 22.155346 -9.231068 1 59 1 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 0 -8.750905 21.780685 -9.509148 1 60 1 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 0 -6.654752 22.62476 -10.208635 1 61 1 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 0 -7.0441437 22.670418 -11.658536 1 62 1 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 0 -5.450945 23.013882 -9.778665 1 63 1 +ATOM P P . DA A0 1 4 . 4 DA A0 P 0 0.26975715 22.642418 -7.363923 1 64 1 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 0 0.12317979 21.826805 -8.591312 1 65 1 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 0 1.5633256 23.302523 -7.057171 1 66 1 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 0 -0.14412348 21.73847 -6.123973 1 67 1 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 0 -1.0754383 22.21321 -5.1647367 1 68 1 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 0 -1.6363578 21.049433 -4.3848495 1 69 1 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 0 -2.9485517 20.67596 -4.8909254 1 70 1 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 0 -0.7948599 19.789837 -4.450774 1 71 1 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 0 -0.8837652 19.162142 -3.1865757 1 72 1 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 0 -1.4700952 18.972385 -5.550252 1 73 1 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 0 -2.9346113 19.334272 -5.3268385 1 74 1 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 0 -3.8155928 19.256565 -6.491054 1 75 1 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 0 -3.5390608 19.603014 -7.78753 1 76 1 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 0 -4.5577345 19.46156 -8.602401 1 77 1 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 0 -5.57981 18.992441 -7.785042 1 78 1 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 0 -6.9179506 18.645596 -8.047433 1 79 1 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 0 -7.481524 18.731316 -9.253397 1 80 1 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 0 -7.663734 18.20819 -7.007851 1 81 1 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 0 -7.0944138 18.132828 -5.798554 1 82 1 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 0 -5.845952 18.431778 -5.4289584 1 83 1 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 0 -5.130333 18.861904 -6.4873166 1 84 1 +ATOM P P . DA A0 1 5 . 5 DA A0 P 0 -0.037018746 17.876978 -2.8873029 1 85 1 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 0 0.57094574 17.337486 -4.129409 1 86 1 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 0 0.8164262 18.181883 -1.7073555 1 87 1 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 0 -1.1886382 16.88646 -2.4362693 1 88 1 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 0 -2.3273711 17.394505 -1.7686052 1 89 1 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 0 -3.4264917 16.360298 -1.7144065 1 90 1 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 0 -4.1894393 16.375923 -2.9481792 1 91 1 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 0 -2.948845 14.923826 -1.5242939 1 92 1 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 0 -3.818551 14.324688 -0.5806307 1 93 1 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 0 -3.061337 14.319613 -2.9205751 1 94 1 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 0 -4.248972 15.082432 -3.4972548 1 95 1 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 0 -4.287822 15.253433 -4.9491625 1 96 1 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 0 -3.2694073 15.619327 -5.7833743 1 97 1 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 0 -3.6271987 15.740408 -7.042153 1 98 1 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 0 -4.9829655 15.427741 -7.0339546 1 99 1 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 0 -5.9479427 15.3724985 -8.053379 1 100 1 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 0 -5.683713 15.643324 -9.333839 1 101 1 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 0 -7.2056036 15.024895 -7.7075663 1 102 1 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 0 -7.4672813 14.758974 -6.4233756 1 103 1 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 0 -6.6450067 14.778469 -5.370486 1 104 1 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 0 -5.4016037 15.124305 -5.7522945 1 105 1 +ATOM P P . DA A0 1 6 . 6 DA A0 P 0 -3.6243534 12.839767 -0.07245259 1 106 1 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 0 -2.2899218 12.327919 -0.47707066 1 107 1 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 0 -4.029972 12.813076 1.3582802 1 108 1 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 0 -4.7275114 12.082687 -0.91387826 1 109 1 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 0 -6.0589437 12.563369 -0.8963492 1 110 1 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 0 -6.936899 11.779198 -1.8354931 1 111 1 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 0 -6.718524 12.223442 -3.1939843 1 112 1 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 0 -6.6984625 10.269846 -1.832576 1 113 1 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 0 -7.9533243 9.629233 -1.6513205 1 114 1 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 0 -6.0926456 9.9893055 -3.2083802 1 115 1 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 0 -6.673925 11.109594 -4.048129 1 116 1 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 0 -5.900896 11.491985 -5.2360134 1 117 1 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 0 -4.5713234 11.812508 -5.305485 1 118 1 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 0 -4.162737 12.13232 -6.5122013 1 119 1 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 0 -5.308593 12.010693 -7.297226 1 120 1 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 0 -5.537939 12.211121 -8.667595 1 121 1 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 0 -4.593632 12.5881 -9.525901 1 122 1 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 0 -6.7853746 12.005391 -9.127502 1 123 1 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 0 -7.735378 11.625011 -8.261946 1 124 1 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 0 -7.6391096 11.404991 -6.9449015 1 125 1 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 0 -6.385002 11.615532 -6.522192 1 126 1 +ATOM P P . DA A0 1 7 . 7 DA A0 P 0 -8.032087 8.031268 -1.4582607 1 127 1 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 0 -6.6673813 7.4617114 -1.3086389 1 128 1 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 0 -9.06717 7.7801957 -0.42615023 1 129 1 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 0 -8.606527 7.5561924 -2.856737 1 130 1 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 0 -9.778631 8.164547 -3.3638606 1 131 1 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 0 -10.013419 7.7752476 -4.799118 1 132 1 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 0 -9.046554 8.422451 -5.653879 1 133 1 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 0 -9.904064 6.2721224 -5.0873685 1 134 1 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 0 -11.111734 5.8432565 -5.703018 1 135 1 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 0 -8.714264 6.160017 -6.038497 1 136 1 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 0 -8.671991 7.5329733 -6.67758 1 137 1 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 0 -7.3664246 7.9578857 -7.188044 1 138 1 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 0 -6.196595 8.09713 -6.48866 1 139 1 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 0 -5.190469 8.509481 -7.21809 1 140 1 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 0 -5.732693 8.6537 -8.494465 1 141 1 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 0 -5.173481 9.059243 -9.719258 1 142 1 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 0 -3.9020514 9.411709 -9.871299 1 143 1 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 0 -5.987397 9.089148 -10.796308 1 144 1 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 0 -7.270673 8.733347 -10.646862 1 145 1 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 0 -7.9109325 8.332414 -9.539177 1 146 1 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 0 -7.073308 8.313431 -8.487296 1 147 1 +ATOM P P . DG A0 1 8 . 8 DG A0 P 0 -11.5018635 4.312846 -5.742488 1 148 1 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 0 -10.536644 3.5414443 -4.941458 1 149 1 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 0 -12.963762 4.2257175 -5.461142 1 150 1 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 0 -11.260601 3.971707 -7.276781 1 151 1 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 0 -11.436742 5.003745 -8.198862 1 152 1 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 0 -11.126637 4.6079407 -9.617584 1 153 1 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 0 -9.883198 5.250454 -10.01178 1 154 1 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 0 -10.944429 3.1165485 -9.899132 1 155 1 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 0 -11.612579 2.8018298 -11.115169 1 156 1 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 0 -9.430986 2.9641154 -10.032318 1 157 1 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 0 -9.019188 4.306115 -10.583114 1 158 1 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 0 -7.659069 4.72038 -10.249897 1 159 1 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 0 -7.043333 4.687579 -9.017887 1 160 1 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 0 -5.822882 5.1309094 -9.047768 1 161 1 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 0 -5.610123 5.4807854 -10.378507 1 162 1 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 0 -4.4686937 6.014632 -11.016661 1 163 1 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 0 -3.3746147 6.305042 -10.505435 1 164 1 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 0 -4.6825066 6.2230268 -12.378199 1 165 1 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 0 -5.8535576 5.9422736 -13.038617 1 166 1 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 0 -5.8706737 6.206631 -14.353037 1 167 1 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 0 -6.9341297 5.4415655 -12.456329 1 168 1 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 0 -6.7388425 5.2358513 -11.131805 1 169 1 +ATOM P P . DG A0 1 9 . 9 DG A0 P 0 -11.895706 1.3037157 -11.538366 1 170 1 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 0 -11.320131 0.35091922 -10.572756 1 171 1 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 0 -13.340085 1.2550393 -11.892483 1 172 1 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 0 -11.063999 1.2052107 -12.884706 1 173 1 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 0 -11.245322 2.1988063 -13.864403 1 174 1 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 0 -10.265406 1.9945134 -15.000122 1 175 1 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 0 -8.970767 2.530874 -14.650148 1 176 1 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 0 -10.02879 0.5368346 -15.369445 1 177 1 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 0 -9.872017 0.47384948 -16.783474 1 178 1 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 0 -8.723097 0.20546551 -14.640352 1 179 1 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 0 -7.9868097 1.5221901 -14.76273 1 180 1 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 0 -6.9640293 1.8106409 -13.7600975 1 181 1 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 0 -7.0397506 1.6555624 -12.39699 1 182 1 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 0 -5.960627 2.036888 -11.775953 1 183 1 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 0 -5.116152 2.4750333 -12.787759 1 184 1 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 0 -3.7975135 3.0028825 -12.722523 1 185 1 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 0 -3.0940633 3.210847 -11.731962 1 186 1 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 0 -3.3080008 3.3164794 -13.992172 1 187 1 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 0 -4.0030794 3.1411064 -15.177291 1 188 1 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 0 -3.36585 3.4964035 -16.297491 1 189 1 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 0 -5.2365017 2.6493144 -15.239496 1 190 1 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 0 -5.7259784 2.3412914 -14.01523 1 191 1 +ATOM P P . DA A0 1 10 . 10 DA A0 P 0 -10.100985 -0.8907119 -17.583763 1 192 1 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 0 -10.587612 -1.9637401 -16.688797 1 193 1 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 0 -10.878763 -0.49339753 -18.796562 1 194 1 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 0 -8.631081 -1.2465189 -18.056568 1 195 1 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 0 -7.915162 -0.26743984 -18.772495 1 196 1 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 0 -6.4472375 -0.6011295 -18.79465 1 197 1 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 0 -5.8090324 -0.15512955 -17.571371 1 198 1 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 0 -6.1339054 -2.0991774 -18.92281 1 199 1 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 0 -5.1696525 -2.2730293 -19.943268 1 200 1 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 0 -5.555373 -2.4525952 -17.553234 1 201 1 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 0 -4.886895 -1.1407802 -17.188875 1 202 1 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 0 -4.537025 -0.9443668 -15.790424 1 203 1 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 0 -5.2573376 -1.2672756 -14.661871 1 204 1 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 0 -4.641699 -0.98579466 -13.534662 1 205 1 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 0 -3.435001 -0.43607652 -13.9447 1 206 1 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 0 -2.3284688 0.065626666 -13.2395115 1 207 1 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 0 -2.252118 0.09847009 -11.908286 1 208 1 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 0 -1.2844108 0.54418325 -13.947226 1 209 1 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 0 -1.3569396 0.5124371 -15.285862 1 210 1 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 0 -2.3449965 0.059272528 -16.069906 1 211 1 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 0 -3.3656716 -0.4053417 -15.327725 1 212 1 +ATOM P P . DA A0 1 11 . 11 DA A0 P 0 -5.0724955 -3.601849 -20.784931 1 213 1 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 0 -5.599049 -4.734072 -19.979244 1 214 1 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 0 -5.629423 -3.3069382 -22.14122 1 215 1 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 0 -3.500198 -3.763463 -20.932568 1 216 1 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 0 -2.722411 -2.6038537 -21.166994 1 217 1 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 0 -1.3921185 -2.7065887 -20.461878 1 218 1 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 0 -1.5418649 -2.4384995 -19.048248 1 219 1 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 0 -0.7218882 -4.0780478 -20.569668 1 220 1 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 0 0.60545444 -3.8882186 -21.03045 1 221 1 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 0 -0.757466 -4.6157074 -19.140217 1 222 1 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 0 -0.71529526 -3.3274584 -18.339087 1 223 1 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 0 -1.1763067 -3.4141526 -16.961887 1 224 1 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 0 -2.343231 -3.9491537 -16.4874 1 225 1 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 0 -2.4513988 -3.9008436 -15.178888 1 226 1 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 0 -1.2730137 -3.2892547 -14.766001 1 227 1 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 0 -0.7749543 -2.9472175 -13.499031 1 228 1 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 0 -1.4264472 -3.1854832 -12.360616 1 229 1 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 0 0.43211716 -2.3488355 -13.439287 1 230 1 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 0 1.0875486 -2.1144884 -14.581225 1 231 1 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 0 0.71921545 -2.391952 -15.831549 1 232 1 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 0 -0.48425168 -2.984397 -15.854012 1 233 1 +ATOM P P . DG A0 1 12 . 12 DG A0 P 0 1.5974355 -5.084076 -21.252617 1 234 1 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 0 0.90430844 -6.3530636 -20.907713 1 235 1 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 0 2.219626 -4.89843 -22.582428 1 236 1 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 0 2.7085376 -4.8099756 -20.145832 1 237 1 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 0 3.1895795 -3.4881616 -19.933838 1 238 1 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 0 4.2703743 -3.5000508 -18.876188 1 239 1 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 0 3.6693091 -3.4990318 -17.548622 1 240 1 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 0 5.1734896 -4.720562 -18.935814 1 241 1 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 0 6.5162725 -4.3217926 -18.708128 1 242 1 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 0 4.647314 -5.6154566 -17.817543 1 243 1 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 0 4.1450315 -4.6016817 -16.805435 1 244 1 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 0 3.0535717 -5.058404 -15.94656 1 245 1 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 0 1.8484044 -5.58212 -16.339668 1 246 1 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 0 1.0707326 -5.8876586 -15.341509 1 247 1 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 0 1.8039709 -5.5376673 -14.216753 1 248 1 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 0 1.4821477 -5.6350403 -12.842319 1 249 1 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 0 0.44067544 -6.0590544 -12.322449 1 250 1 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 0 2.5169606 -5.176417 -12.029694 1 251 1 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 0 3.7130456 -4.678153 -12.491592 1 252 1 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 0 4.587442 -4.2785025 -11.555386 1 253 1 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 0 4.026531 -4.5749817 -13.771842 1 254 1 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 0 3.0284266 -5.0237074 -14.575291 1 255 1 +ATOM P P . DT A0 1 13 . 13 DT A0 P 0 7.6645722 -5.4106236 -18.7952 1 256 1 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 0 7.11362 -6.6817064 -19.332138 1 257 1 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 0 8.82661 -4.7640553 -19.450798 1 258 1 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 0 8.009889 -5.652871 -17.268583 1 259 1 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 0 8.053027 -4.5494633 -16.384354 1 260 1 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 0 8.637789 -4.988796 -15.056089 1 261 1 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 0 7.5712776 -5.407063 -14.1656 1 262 1 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 0 9.597664 -6.165082 -15.155613 1 263 1 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 0 10.719364 -5.8864503 -14.349325 1 264 1 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 0 8.78064 -7.356568 -14.6526165 1 265 1 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 0 7.824658 -6.705799 -13.672354 1 266 1 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 0 6.494685 -7.353792 -13.494889 1 267 1 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 0 6.0217104 -7.5272207 -12.211638 1 268 1 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 0 6.6491017 -7.2145557 -11.217541 1 269 1 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 0 4.7719374 -8.078719 -12.128709 1 270 1 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 0 3.9685087 -8.464749 -13.18268 1 271 1 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 0 2.8566904 -8.944401 -12.988293 1 272 1 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 0 4.5333776 -8.265375 -14.498106 1 273 1 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 0 3.7452662 -8.663355 -15.704592 1 274 1 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 0 5.7515793 -7.721589 -14.590899 1 275 1 +ATOM P P . DG A0 1 14 . 14 DG A0 P 0 12.017694 -6.806718 -14.390133 1 276 1 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 0 11.904243 -7.6906767 -15.57422 1 277 1 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 0 13.207556 -5.9445806 -14.193121 1 278 1 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 0 11.821524 -7.6855965 -13.093278 1 279 1 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 0 11.678538 -7.0349503 -11.841752 1 280 1 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 0 11.543093 -8.075045 -10.751024 1 281 1 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 0 10.1876955 -8.590179 -10.718159 1 282 1 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 0 12.449391 -9.286104 -10.947317 1 283 1 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 0 12.930641 -9.65683 -9.674772 1 284 1 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 0 11.509093 -10.3344 -11.532947 1 285 1 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 0 10.215113 -9.993225 -10.830105 1 286 1 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 0 8.980215 -10.3857355 -11.489987 1 287 1 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 0 8.729755 -10.524725 -12.833515 1 288 1 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 0 7.5040817 -10.868406 -13.101646 1 289 1 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 0 6.896922 -10.961916 -11.857993 1 290 1 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 0 5.5697756 -11.297629 -11.503721 1 291 1 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 0 4.620153 -11.581942 -12.246592 1 292 1 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 0 5.37712 -11.27375 -10.127596 1 293 1 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 0 6.34517 -10.958899 -9.204294 1 294 1 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 0 5.973447 -10.988065 -7.9228272 1 295 1 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 0 7.589428 -10.641983 -9.523409 1 296 1 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 0 7.796128 -10.665984 -10.861226 1 297 1 +ATOM P P . DG A0 1 15 . 15 DG A0 P 0 14.033099 -10.739832 -9.496687 1 298 1 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 0 14.093113 -11.606632 -10.698893 1 299 1 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 0 15.2604475 -10.065092 -9.003349 1 300 1 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 0 13.421847 -11.587203 -8.305878 1 301 1 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 0 12.825484 -10.922635 -7.2034206 1 302 1 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 0 11.985737 -11.919722 -6.4313774 1 303 1 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 0 10.725344 -12.128356 -7.1295395 1 304 1 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 0 12.6459675 -13.289153 -6.3080745 1 305 1 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 0 12.44261 -13.801552 -5.0067115 1 306 1 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 0 11.935501 -14.11386 -7.373705 1 307 1 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 0 10.548537 -13.502676 -7.3801885 1 308 1 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 0 9.826439 -13.633951 -8.64002 1 309 1 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 0 10.31361 -13.452261 -9.90964 1 310 1 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 0 9.4268 -13.653449 -10.843391 1 311 1 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 0 8.274205 -13.982909 -10.146929 1 312 1 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 0 6.980564 -14.306677 -10.615795 1 313 1 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 0 6.583438 -14.365812 -11.787661 1 314 1 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 0 6.09739 -14.579866 -9.575016 1 315 1 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 0 6.429575 -14.53768 -8.242304 1 316 1 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 0 5.445162 -14.825371 -7.380968 1 317 1 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 0 7.636246 -14.237604 -7.7866807 1 318 1 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 0 8.504402 -13.967861 -8.789509 1 319 1 +ATOM P P . DG A0 1 16 . 16 DG A0 P 0 12.912791 -15.293794 -4.664938 1 320 1 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 0 13.642044 -15.836527 -5.8395224 1 321 1 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 0 13.5390835 -15.300419 -3.3310103 1 322 1 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 0 11.51712 -16.042805 -4.5944295 1 323 1 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 0 10.461092 -15.549071 -3.7749891 1 324 1 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 0 9.309734 -16.538979 -3.7921138 1 325 1 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 0 8.651086 -16.487186 -5.0893164 1 326 1 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 0 9.747459 -17.984062 -3.5967698 1 327 1 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 0 8.728279 -18.694092 -2.9206686 1 328 1 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 0 9.872026 -18.49044 -5.0251365 1 329 1 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 0 8.714887 -17.767303 -5.6941876 1 330 1 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 0 8.837585 -17.58224 -7.1361775 1 331 1 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 0 9.950066 -17.232143 -7.84124 1 332 1 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 0 9.742083 -17.143913 -9.128834 1 333 1 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 0 8.395763 -17.453566 -9.277203 1 334 1 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 0 7.5924263 -17.525208 -10.439759 1 335 1 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 0 7.919093 -17.315228 -11.608093 1 336 1 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 0 6.2795525 -17.883396 -10.145779 1 337 1 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 0 5.803851 -18.131802 -8.881348 1 338 1 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 0 4.504345 -18.463203 -8.794326 1 339 1 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 0 6.5461636 -18.072124 -7.7816906 1 340 1 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 0 7.8286715 -17.722244 -8.057896 1 341 1 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 0 3.9599288 -18.208048 -20.799816 1 342 1 +ATOM P P . DT B0 2 1 . 1 DT B0 P 0 4.834294 -19.473305 -21.113718 1 343 1 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 0 5.987073 -18.58061 -21.07761 1 344 1 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 0 3.990397 -19.906075 -22.080732 1 345 1 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 0 4.754078 -20.544235 -19.797195 1 346 1 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 0 3.958435 -21.685665 -19.979107 1 347 1 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 0 3.067446 -21.91042 -18.73658 1 348 1 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 0 3.926961 -22.301327 -17.635412 1 349 1 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 0 2.3422742 -20.65186 -18.309204 1 350 1 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 0 0.9575696 -20.888538 -18.083424 1 351 1 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 0 3.024713 -20.20842 -17.011234 1 352 1 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 0 3.696342 -21.470676 -16.504446 1 353 1 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 0 4.9941406 -21.114887 -15.87505 1 354 1 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 0 5.185384 -21.322763 -14.533647 1 355 1 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 0 4.361149 -21.843563 -13.800933 1 356 1 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 0 6.391076 -20.90718 -14.057175 1 357 1 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 0 7.402408 -20.303015 -14.777983 1 358 1 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 0 8.452646 -19.95208 -14.251115 1 359 1 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 0 7.142204 -20.11665 -16.170063 1 360 1 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 0 8.177758 -19.460865 -17.048113 1 361 1 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 0 5.9625897 -20.5282 -16.653103 1 362 1 +ATOM P P . DC B0 2 2 . 2 DC B0 P 0 0.058642533 -19.496855 -17.93975 1 363 1 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 0 0.89052045 -18.290283 -18.178673 1 364 1 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 0 -1.1838212 -19.703167 -18.708767 1 365 1 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 0 -0.2917441 -19.544603 -16.381792 1 366 1 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 0 -0.51382124 -20.790813 -15.730823 1 367 1 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 0 -0.52684355 -20.588135 -14.229664 1 368 1 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 0 0.847358 -20.502226 -13.726446 1 369 1 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 0 -1.2242486 -19.305513 -13.78414 1 370 1 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 0 -2.0142524 -19.54124 -12.628098 1 371 1 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 0 -0.07352254 -18.355865 -13.467358 1 372 1 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 0 1.0135994 -19.307056 -12.986197 1 373 1 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 0 2.3900318 -18.801483 -13.211259 1 374 1 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 0 3.2723398 -18.705353 -12.130325 1 375 1 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 0 2.8837395 -19.05463 -11.001461 1 376 1 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 0 4.523999 -18.230646 -12.3406315 1 377 1 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 0 4.889057 -17.872124 -13.566353 1 378 1 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 0 6.134343 -17.409046 -13.729749 1 379 1 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 0 4.0176105 -17.958141 -14.688361 1 380 1 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 0 2.785083 -18.431545 -14.466917 1 381 1 +ATOM P P . DC B0 2 3 . 3 DC B0 P 0 -3.0479221 -18.407772 -12.138285 1 382 1 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 0 -2.9730859 -17.23233 -13.05463 1 383 1 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 0 -4.341707 -19.125298 -11.9595175 1 384 1 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 0 -2.517237 -17.927315 -10.712244 1 385 1 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 0 -1.7380692 -18.788574 -9.891666 1 386 1 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 0 -1.2457821 -18.008768 -8.678133 1 387 1 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 0 0.14826223 -17.627611 -8.88481 1 388 1 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 0 -2.002046 -16.71001 -8.4229145 1 389 1 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 0 -2.1338725 -16.490099 -7.027837 1 390 1 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 0 -1.1168181 -15.636559 -9.055485 1 391 1 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 0 0.2751181 -16.217552 -8.85235 1 392 1 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 0 1.2381828 -15.819796 -9.903625 1 393 1 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 0 2.5518055 -15.499287 -9.54966 1 394 1 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 0 2.8883739 -15.563705 -8.3588915 1 395 1 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 0 3.416895 -15.128882 -10.521481 1 396 1 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 0 3.0091748 -15.080101 -11.794472 1 397 1 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 0 3.8932862 -14.708078 -12.717688 1 398 1 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 0 1.6740644 -15.405694 -12.178137 1 399 1 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 0 0.83358777 -15.76788 -11.206636 1 400 1 +ATOM P P . DC B0 2 4 . 4 DC B0 P 0 -2.9885216 -15.225943 -6.477766 1 401 1 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 0 -3.300522 -14.302759 -7.602125 1 402 1 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 0 -4.085149 -15.810322 -5.6674895 1 403 1 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 0 -1.9720616 -14.482861 -5.5131927 1 404 1 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 0 -0.85563266 -15.180317 -4.9861336 1 405 1 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 0 0.22733459 -14.21408 -4.5608215 1 406 1 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 0 1.1132317 -13.917025 -5.675132 1 407 1 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 0 -0.2789777 -12.869131 -4.071967 1 408 1 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 0 0.583179 -12.446796 -3.0255847 1 409 1 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 0 -0.13395241 -11.96072 -5.300679 1 410 1 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 0 1.1402838 -12.51733 -5.9139915 1 411 1 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 0 1.3130163 -12.336311 -7.3737783 1 412 1 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 0 2.5882063 -12.0551815 -7.862438 1 413 1 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 0 3.5325115 -11.93535 -7.071214 1 414 1 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 0 2.7617223 -11.928113 -9.194401 1 415 1 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 0 1.7258899 -12.072107 -10.02775 1 416 1 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 0 1.9401923 -11.941788 -11.332713 1 417 1 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 0 0.41444832 -12.358097 -9.545617 1 418 1 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 0 0.26010913 -12.480237 -8.2256775 1 419 1 +ATOM P P . DA B0 2 5 . 5 DA B0 P 0 0.008602064 -11.600586 -1.7962133 1 420 1 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 0 -1.3947431 -11.187721 -2.063673 1 421 1 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 0 0.36026752 -12.3500805 -0.5667184 1 422 1 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 0 0.9211281 -10.307806 -1.8551686 1 423 1 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 0 2.3281355 -10.452477 -1.8309205 1 424 1 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 0 2.9713767 -9.276957 -2.5141058 1 425 1 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 0 2.8465807 -9.404013 -3.9520907 1 426 1 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 0 2.3645613 -7.9131355 -2.1534116 1 427 1 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 0 3.43673 -7.0109367 -1.92261 1 428 1 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 0 1.5653746 -7.5447845 -3.4131298 1 429 1 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 0 2.4564033 -8.162156 -4.476441 1 430 1 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 0 1.8779371 -8.364111 -5.7950296 1 431 1 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 0 0.5735713 -8.611683 -6.137687 1 432 1 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 0 0.36558104 -8.734412 -7.4251137 1 433 1 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 0 1.6269192 -8.56209 -7.974782 1 434 1 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 0 2.0864577 -8.578432 -9.302717 1 435 1 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 0 1.303495 -8.785667 -10.356682 1 436 1 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 0 3.4091854 -8.377655 -9.508488 1 437 1 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 0 4.1991568 -8.173296 -8.44731 1 438 1 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 0 3.8756218 -8.139677 -7.1537766 1 439 1 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 0 2.5604117 -8.339149 -6.9855614 1 440 1 +ATOM P P . DC B0 2 6 . 6 DC B0 P 0 3.1881814 -5.680461 -1.0772264 1 441 1 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 0 2.268642 -6.0109987 0.02891082 1 442 1 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 0 4.53337 -5.08093 -0.7733363 1 443 1 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 0 2.4124603 -4.777817 -2.1233888 1 444 1 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 0 3.0177174 -3.6619549 -2.7208223 1 445 1 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 0 3.9753792 -4.0343385 -3.8128119 1 446 1 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 0 3.3345425 -4.8792 -4.807765 1 447 1 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 0 4.5045085 -2.8277826 -4.572565 1 448 1 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 0 5.9041424 -2.907455 -4.758586 1 449 1 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 0 3.7923691 -2.9157844 -5.925014 1 450 1 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 0 3.6223607 -4.3963623 -6.091054 1 451 1 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 0 2.527404 -4.748604 -7.042489 1 452 1 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 0 2.8365588 -4.941543 -8.392485 1 453 1 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 0 4.0042744 -4.8499784 -8.772657 1 454 1 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 0 1.8362867 -5.2319098 -9.254932 1 455 1 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 0 0.57673407 -5.3352823 -8.816551 1 456 1 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 0 -0.36565167 -5.6332874 -9.703646 1 457 1 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 0 0.25762266 -5.147124 -7.4347324 1 458 1 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 0 1.2520132 -4.8558054 -6.5901484 1 459 1 +ATOM P P . DT B0 2 7 . 7 DT B0 P 0 6.7189417 -1.527633 -5.051215 1 460 1 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 0 6.02938 -0.36233872 -4.4467516 1 461 1 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 0 8.141159 -1.8175501 -4.7255983 1 462 1 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 0 6.5701294 -1.3793895 -6.6333237 1 463 1 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 0 7.2346625 -2.2815042 -7.4873433 1 464 1 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 0 7.105747 -1.8328295 -8.935676 1 465 1 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 0 5.784355 -2.1525886 -9.434032 1 466 1 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 0 7.2957964 -0.33084244 -9.189518 1 467 1 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 0 8.109164 -0.21793748 -10.35508 1 468 1 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 0 5.8742747 0.18498042 -9.439114 1 469 1 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 0 5.2374105 -1.0257833 -10.102928 1 470 1 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 0 3.7640688 -1.2047496 -10.028046 1 471 1 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 0 3.1156821 -1.5503908 -11.193329 1 472 1 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 0 3.6835864 -1.6274416 -12.271457 1 473 1 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 0 1.7767272 -1.8075882 -11.059938 1 474 1 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 0 1.0401312 -1.7537458 -9.898865 1 475 1 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 0 -0.15742469 -2.024223 -9.903362 1 476 1 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 0 1.7701097 -1.3762562 -8.712593 1 477 1 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 0 1.0537405 -1.2744423 -7.401264 1 478 1 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 0 3.081347 -1.1238692 -8.836044 1 479 1 +ATOM P P . DT B0 2 8 . 8 DT B0 P 0 8.835312 1.1341345 -10.769268 1 480 1 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 0 8.662703 2.14065 -9.698341 1 481 1 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 0 10.204384 0.75566244 -11.221653 1 482 1 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 0 8.003408 1.6202736 -12.034544 1 483 1 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 0 7.903 0.75521874 -13.14504 1 484 1 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 0 6.9010706 1.2819128 -14.154564 1 485 1 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 0 5.548731 0.9337732 -13.743651 1 486 1 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 0 6.9001417 2.7985888 -14.37493 1 487 1 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 0 7.0519857 3.0217366 -15.774485 1 488 1 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 0 5.5327163 3.2566361 -13.864445 1 489 1 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 0 4.688862 2.0079775 -14.053348 1 490 1 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 0 3.4927573 1.8511295 -13.184218 1 491 1 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 0 2.3214579 1.3777083 -13.755833 1 492 1 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 0 2.216287 1.1153153 -14.940512 1 493 1 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 0 1.2757878 1.215516 -12.885159 1 494 1 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 0 1.2903261 1.4780204 -11.534315 1 495 1 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 0 0.29113755 1.2869592 -10.844162 1 496 1 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 0 2.5357609 1.9735556 -10.993948 1 497 1 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 0 2.647379 2.294355 -9.532411 1 498 1 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 0 3.5660415 2.132029 -11.838146 1 499 1 +ATOM P P . DC B0 2 9 . 9 DC B0 P 0 7.183632 4.5562696 -16.360714 1 500 1 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 0 7.538345 5.497848 -15.271309 1 501 1 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 0 8.049847 4.4581575 -17.567923 1 502 1 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 0 5.7001038 4.883253 -16.839413 1 503 1 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 0 5.0257645 3.9359608 -17.636467 1 504 1 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 0 3.6371393 4.4252644 -17.988903 1 505 1 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 0 2.7010539 3.9747024 -16.965487 1 506 1 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 0 3.4835725 5.950282 -18.077116 1 507 1 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 0 2.8761954 6.2839947 -19.317377 1 508 1 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 0 2.5860121 6.2980285 -16.892733 1 509 1 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 0 1.80097 5.017637 -16.696753 1 510 1 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 0 1.2484429 4.8124123 -15.348108 1 511 1 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 0 -0.06527479 4.3484955 -15.202114 1 512 1 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 0 -0.7267137 4.0911727 -16.22102 1 513 1 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 0 -0.58141947 4.1803327 -13.966326 1 514 1 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 0 0.15752572 4.469141 -12.897537 1 515 1 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 0 -0.39127234 4.296527 -11.690727 1 516 1 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 0 1.4972682 4.9460955 -13.008399 1 517 1 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 0 1.997209 5.0979824 -14.247183 1 518 1 +ATOM P P . DC B0 2 10 . 10 DC B0 P 0 2.795074 7.841546 -19.804096 1 519 1 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 0 3.4870977 8.729362 -18.829273 1 520 1 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 0 3.2043533 7.8373194 -21.235245 1 521 1 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 0 1.2306292 8.148607 -19.722916 1 522 1 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 0 0.3164083 7.202367 -20.241262 1 523 1 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 0 -1.055299 7.4514203 -19.684025 1 524 1 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 0 -1.1340246 6.94907 -18.315025 1 525 1 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 0 -1.4747596 8.931164 -19.61929 1 526 1 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 0 -2.7648516 9.08066 -20.178667 1 527 1 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 0 -1.5002818 9.222656 -18.128843 1 528 1 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 0 -1.8943136 7.859203 -17.582514 1 529 1 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 0 -1.6776123 7.702508 -16.136246 1 530 1 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 0 -2.7129846 7.167384 -15.372232 1 531 1 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 0 -3.7434492 6.7854967 -15.938104 1 532 1 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 0 -2.5627484 7.0809684 -14.028421 1 533 1 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 0 -1.4392455 7.505311 -13.452402 1 534 1 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 0 -1.3397949 7.4100947 -12.1277485 1 535 1 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 0 -0.35859776 8.051184 -14.214746 1 536 1 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 0 -0.524505 8.124671 -15.542238 1 537 1 +ATOM P P . DT B0 2 11 . 11 DT B0 P 0 -3.412128 10.546282 -20.397682 1 538 1 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 0 -2.7217364 11.563213 -19.554768 1 539 1 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 0 -3.5016456 10.729177 -21.862629 1 540 1 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 0 -4.8833246 10.354069 -19.807293 1 541 1 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 0 -5.591117 9.153815 -20.080204 1 542 1 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 0 -6.7671857 9.017264 -19.13548 1 543 1 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 0 -6.2813473 8.753859 -17.788244 1 544 1 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 0 -7.6416397 10.268821 -19.039436 1 545 1 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 0 -9.005175 9.866757 -19.061735 1 546 1 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 0 -7.2412167 10.895765 -17.69983 1 547 1 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 0 -6.857924 9.671736 -16.880758 1 548 1 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 0 -5.879588 9.912272 -15.783192 1 549 1 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 0 -6.2374554 9.563477 -14.498239 1 550 1 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 0 -7.3200274 9.07951 -14.204146 1 551 1 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 0 -5.2766685 9.798997 -13.551241 1 552 1 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 0 -4.023374 10.3351 -13.7525425 1 553 1 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 0 -3.2401638 10.492697 -12.8187475 1 554 1 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 0 -3.7157145 10.67911 -15.121254 1 555 1 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 0 -2.37317 11.277197 -15.449484 1 556 1 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 0 -4.642421 10.4552765 -16.057705 1 557 1 +ATOM P P . DT B0 2 12 . 12 DT B0 P 0 -10.173125 10.957209 -19.272682 1 558 1 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 0 -9.599027 12.333161 -19.288223 1 559 1 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 0 -10.985772 10.470297 -20.409817 1 560 1 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 0 -11.0327015 10.799394 -17.93697 1 561 1 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 0 -10.3486595 10.477785 -16.765806 1 562 1 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 0 -11.291462 10.218305 -15.622753 1 563 1 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 0 -10.471354 10.147659 -14.4405155 1 564 1 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 0 -12.308516 11.324943 -15.334358 1 565 1 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 0 -13.45427 10.736277 -14.718759 1 566 1 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 0 -11.527201 12.262582 -14.418103 1 567 1 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 0 -10.632172 11.301622 -13.640123 1 568 1 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 0 -9.279409 11.83103 -13.306866 1 569 1 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 0 -8.798832 11.614095 -12.037202 1 570 1 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 0 -9.429594 11.025265 -11.1774235 1 571 1 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 0 -7.5404763 12.114278 -11.799569 1 572 1 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 0 -6.741893 12.78578 -12.690916 1 573 1 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 0 -5.630904 13.182177 -12.360746 1 574 1 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 0 -7.305436 12.975034 -14.007229 1 575 1 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 0 -6.511243 13.702335 -15.055419 1 576 1 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 0 -8.5334835 12.493416 -14.252172 1 577 1 +ATOM P P . DT B0 2 13 . 13 DT B0 P 0 -14.594248 11.67872 -14.096931 1 578 1 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 0 -14.523029 13.045671 -14.685032 1 579 1 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 0 -15.8398285 10.877906 -14.210424 1 580 1 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 0 -14.220461 11.787519 -12.552452 1 581 1 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 0 -13.998503 10.597422 -11.807505 1 582 1 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 0 -13.738674 10.908924 -10.345324 1 583 1 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 0 -12.41839 11.48134 -10.174601 1 584 1 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 0 -14.710507 11.894543 -9.694724 1 585 1 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 0 -15.036392 11.36955 -8.411074 1 586 1 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 0 -13.917597 13.203907 -9.606163 1 587 1 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 0 -12.502112 12.677191 -9.4068985 1 588 1 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 0 -11.367899 13.543772 -9.846639 1 589 1 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 0 -10.314262 13.707217 -8.981398 1 590 1 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 0 -10.286655 13.239786 -7.85282 1 591 1 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 0 -9.270502 14.440142 -9.481056 1 592 1 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 0 -9.178684 15.013061 -10.729534 1 593 1 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 0 -8.179056 15.644901 -11.061691 1 594 1 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 0 -10.329287 14.813412 -11.5838175 1 595 1 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 0 -10.331337 15.412372 -12.964167 1 596 1 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 0 -11.351086 14.095391 -11.1094885 1 597 1 +ATOM P P . DT B0 2 14 . 14 DT B0 P 0 -16.07954 12.146708 -7.4198647 1 598 1 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 0 -16.787613 13.200262 -8.194241 1 599 1 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 0 -16.845516 11.074635 -6.732132 1 600 1 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 0 -15.145416 12.853623 -6.349103 1 601 1 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 0 -14.250889 12.05277 -5.5921736 1 602 1 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 0 -13.390858 12.915132 -4.6802483 1 603 1 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 0 -12.416193 13.6508045 -5.4545326 1 604 1 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 0 -14.143356 13.960196 -3.8593643 1 605 1 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 0 -13.690995 13.833684 -2.515551 1 606 1 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 0 -13.748224 15.305569 -4.4797 1 607 1 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 0 -12.351537 14.988581 -4.9855013 1 608 1 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 0 -11.815772 15.816304 -6.098294 1 609 1 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 0 -10.535085 16.301147 -5.9955564 1 610 1 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 0 -9.82309 16.13076 -5.0191255 1 611 1 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 0 -10.090525 16.996607 -7.0808196 1 612 1 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 0 -10.799136 17.248787 -8.237819 1 613 1 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 0 -10.29715 17.884155 -9.161023 1 614 1 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 0 -12.142109 16.717386 -8.276442 1 615 1 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 0 -12.993915 16.946009 -9.491814 1 616 1 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 0 -12.578264 16.03469 -7.21769 1 617 1 +ATOM P P . DA B0 2 15 . 15 DA B0 P 0 -14.269966 14.7397175 -1.3319793 1 618 1 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 0 -15.450079 15.50668 -1.8053975 1 619 1 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 0 -14.376194 13.826483 -0.1632723 1 620 1 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 0 -13.092718 15.773703 -1.0609629 1 621 1 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 0 -11.764204 15.308998 -0.96809006 1 622 1 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 0 -10.8186455 16.455421 -0.688312 1 623 1 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 0 -10.447008 17.104443 -1.9296136 1 624 1 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 0 -11.372131 17.550066 0.21880275 1 625 1 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 0 -10.38447 17.830181 1.2032423 1 626 1 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 0 -11.629612 18.724537 -0.7351865 1 627 1 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 0 -10.579281 18.504417 -1.8111001 1 628 1 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 0 -10.895626 19.008698 -3.1433048 1 629 1 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 0 -12.06637 18.857838 -3.8363738 1 630 1 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 0 -12.042475 19.377403 -5.0404425 1 631 1 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 0 -10.7615795 19.910309 -5.151768 1 632 1 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 0 -10.109596 20.59455 -6.1936736 1 633 1 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 0 -10.67453 20.872225 -7.3635006 1 634 1 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 0 -8.833682 20.99599 -5.975979 1 635 1 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 0 -8.267486 20.71593 -4.8008323 1 636 1 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 0 -8.780529 20.067886 -3.7480247 1 637 1 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 0 -10.0479355 19.687273 -3.9892788 1 638 1 +ATOM P P . DT B0 2 16 . 16 DT B0 P 0 -10.539244 19.00111 2.276064 1 639 1 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 0 -11.943281 19.480858 2.3091068 1 640 1 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 0 -9.87747 18.548605 3.5310903 1 641 1 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 0 -9.64823 20.141739 1.6163383 1 642 1 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 0 -8.344777 19.83747 1.1419302 1 643 1 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 0 -7.667595 21.092247 0.6581782 1 644 1 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 0 -8.080648 21.379917 -0.70817363 1 645 1 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 0 -7.997574 22.341152 1.4719939 1 646 1 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 0 -6.8287344 23.12524 1.6195564 1 647 1 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 0 -9.016726 23.06734 0.6017308 1 648 1 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 0 -8.485935 22.73265 -0.78265923 1 649 1 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 0 -9.427539 22.876148 -1.9161239 1 650 1 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 0 -8.934994 23.377647 -3.1025574 1 651 1 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 0 -7.76752 23.702095 -3.2596297 1 652 1 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 0 -9.849239 23.4827 -4.1157417 1 653 1 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 0 -11.186563 23.131264 -4.055018 1 654 1 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 0 -11.908937 23.265244 -5.0373087 1 655 1 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 0 -11.647679 22.609694 -2.776764 1 656 1 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 0 -13.0924835 22.213737 -2.5979557 1 657 1 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 0 -10.751398 22.511837 -1.7821147 1 658 1 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 0 19.686089 -13.3669815 -2.2137728 1 659 1 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 0 18.406734 -13.590484 -2.8965235 1 660 1 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 0 17.573902 -14.730955 -2.3481336 1 661 1 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 0 16.713713 -15.25967 -3.061676 1 662 1 +ATOM N N . SER C0 3 2 . 2 SER C0 N 0 17.801983 -15.0707855 -1.0895493 1 663 1 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 0 17.084251 -16.186668 -0.47981274 1 664 1 +ATOM C C . SER C0 3 2 . 2 SER C0 C 0 16.00753 -15.74563 0.5077573 1 665 1 +ATOM O O . SER C0 3 2 . 2 SER C0 O 0 15.230904 -16.576227 0.9677746 1 666 1 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 0 18.072845 -17.135338 0.21259992 1 667 1 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 0 18.725914 -16.51347 1.298775 1 668 1 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 0 15.956516 -14.441161 0.8095952 1 669 1 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 0 14.95355 -13.929266 1.7457805 1 670 1 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 0 13.693932 -13.466568 1.0100116 1 671 1 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 0 13.766121 -12.831882 -0.048204143 1 672 1 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 0 15.525937 -12.785843 2.59262 1 673 1 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 0 16.623789 -13.234181 3.5701718 1 674 1 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 0 16.902206 -12.178555 4.653895 1 675 1 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 0 15.896982 -12.256557 5.780445 1 676 1 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 0 16.199158 -11.283131 6.873225 1 677 1 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 0 12.545955 -13.790867 1.5634189 1 678 1 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 0 11.258898 -13.363405 1.0279263 1 679 1 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 0 11.224704 -11.842186 0.97902423 1 680 1 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 0 11.68297 -11.182197 1.9118598 1 681 1 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 0 10.134828 -13.892981 1.9217894 1 682 1 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 0 8.741344 -13.538553 1.4444175 1 683 1 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 0 7.6868105 -13.763122 2.5553517 1 684 1 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 0 7.4964557 -15.234177 2.8558276 1 685 1 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 0 6.4112225 -15.451876 3.8353615 1 686 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 10.715292 -11.27026 -0.10309033 1 687 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 10.702336 -9.816239 -0.26722687 1 688 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 9.703398 -9.169248 0.6843234 1 689 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 8.523586 -9.535879 0.70293784 1 690 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 10.3673315 -9.455288 -1.7268261 1 691 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 10.714186 -8.026791 -2.096585 1 692 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 9.920917 -7.5499077 -3.3478885 1 693 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 10.30013 -8.2816925 -4.6282773 1 694 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 11.59987 -7.827276 -5.1866837 1 695 1 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 0 10.177568 -8.20714 1.4685881 1 696 1 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 0 9.358009 -7.511061 2.4530716 1 697 1 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 0 8.170913 -6.786083 1.8065094 1 698 1 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 0 8.287697 -6.2482414 0.7010038 1 699 1 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 0 10.209599 -6.5201206 3.2929745 1 700 1 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 0 9.424507 -6.0202446 4.505288 1 701 1 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 0 10.691946 -5.362131 2.428204 1 702 1 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 0 10.258377 -5.183758 5.4870777 1 703 1 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 0 7.037633 -6.780183 2.4945796 1 704 1 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 0 5.851487 -6.1050477 1.9841123 1 705 1 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 0 5.8301344 -4.6619434 2.4653435 1 706 1 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 0 6.389683 -4.3499875 3.5331376 1 707 1 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 0 4.5888147 -6.8457747 2.4512832 1 708 1 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 0 4.7416525 -8.331413 2.3094845 1 709 1 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 0 3.4963644 -9.207534 2.1668644 1 710 1 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 0 2.2634091 -8.533356 1.8037205 1 711 1 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 0 1.0990772 -9.141553 1.713583 1 712 1 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 0 1.0008388 -10.43157 1.9612184 1 713 1 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 0 0.023623787 -8.437767 1.3673041 1 714 1 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 0 5.182075 -3.7841158 1.7050855 1 715 1 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 0 5.132267 -2.3602314 2.0248146 1 716 1 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 0 4.593789 -2.0860004 3.4274993 1 717 1 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 0 5.1780252 -1.2864527 4.1698523 1 718 1 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 0 4.3051357 -1.6011686 0.97780305 1 719 1 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 0 4.1025496 -0.09622562 1.232901 1 720 1 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 0 3.180996 0.49075478 0.16717954 1 721 1 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 0 5.4255257 0.64311147 1.2689133 1 722 1 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 0 3.489354 -2.7295356 3.8097296 1 723 1 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 0 2.9063864 -2.4698932 5.1253853 1 724 1 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 0 3.8679073 -2.8235707 6.256275 1 725 1 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 0 3.8959937 -2.1412878 7.288354 1 726 1 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 0 1.5482798 -3.1736917 5.29683 1 727 1 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 0 1.5883155 -4.6775403 5.45129 1 728 1 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 0 1.257974 -5.5222893 4.404361 1 729 1 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 0 1.9299356 -5.258025 6.6759725 1 730 1 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 0 1.2733214 -6.901669 4.5501595 1 731 1 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 0 1.9484768 -6.6341786 6.829336 1 732 1 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 0 1.6247839 -7.4447694 5.760316 1 733 1 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 0 1.6402066 -8.816552 5.913903 1 734 1 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 0 4.6849303 -3.8617969 6.067569 1 735 1 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 0 5.669269 -4.2539554 7.075694 1 736 1 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 0 6.793082 -3.238782 7.163484 1 737 1 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 0 7.2673182 -2.9146075 8.251742 1 738 1 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 0 6.239027 -5.6334586 6.775332 1 739 1 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 0 5.5841727 -6.7560015 7.560817 1 740 1 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 0 5.651812 -6.5332727 9.062754 1 741 1 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 0 6.6311073 -6.0334177 9.620071 1 742 1 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 0 4.574554 -6.888043 9.766435 1 743 1 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 0 7.2380066 -2.7305012 6.0116587 1 744 1 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 0 8.276778 -1.7132871 5.943592 1 745 1 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 0 7.856433 -0.4699113 6.72838 1 746 1 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 0 8.627544 0.066983506 7.52324 1 747 1 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 0 8.542989 -1.3464875 4.4853077 1 748 1 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 0 9.456005 -0.16346762 4.2848816 1 749 1 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 0 8.937946 1.0734539 3.9289823 1 750 1 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 0 10.828482 -0.29354328 4.432415 1 751 1 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 0 9.774811 2.160814 3.73255 1 752 1 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 0 11.667557 0.78872716 4.236405 1 753 1 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 0 11.143848 2.0232275 3.8865702 1 754 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 6.613101 -0.04213047 6.537817 1 755 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 6.086687 1.1398091 7.221817 1 756 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 5.9102993 0.9047147 8.716647 1 757 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 6.286728 1.754626 9.527322 1 758 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 4.7549496 1.5728426 6.593134 1 759 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 4.814956 1.9715178 5.114078 1 760 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 3.4073567 2.2536898 4.591071 1 761 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 5.7147036 3.1875505 4.928272 1 762 1 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 0 5.348322 -0.23894584 9.079334 1 763 1 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 0 5.151623 -0.5727071 10.490642 1 764 1 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 0 6.4927244 -0.65721655 11.210882 1 765 1 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 0 6.635644 -0.16080776 12.333171 1 766 1 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 0 4.3830953 -1.8935347 10.631899 1 767 1 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 0 4.064254 -2.3361232 12.062292 1 768 1 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 0 3.32579 -3.6718473 12.04335 1 769 1 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 0 3.239277 -1.2804096 12.790959 1 770 1 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 0 7.4893284 -1.2612436 10.563042 1 771 1 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 0 8.826318 -1.3693976 11.137576 1 772 1 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 0 9.425033 0.0103406925 11.411774 1 773 1 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 0 10.028757 0.22820558 12.457271 1 774 1 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 0 9.759901 -2.1575434 10.204467 1 775 1 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 0 9.441507 -3.6416903 10.149876 1 776 1 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 0 8.600609 -4.1108637 10.94861 1 777 1 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 0 10.030377 -4.3536644 9.305988 1 778 1 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 0 9.247931 0.93865746 10.475579 1 779 1 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 0 9.744566 2.3000708 10.656271 1 780 1 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 0 9.089915 2.97706 11.858241 1 781 1 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 0 9.766478 3.623516 12.661552 1 782 1 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 0 9.474572 3.1612558 9.417658 1 783 1 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 0 10.371397 3.0379627 8.192858 1 784 1 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 0 10.186761 4.2875752 7.3379593 1 785 1 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 0 11.830451 2.8970516 8.592882 1 786 1 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 0 7.772998 2.8350582 11.953047 1 787 1 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 0 7.024745 3.4560728 13.0414715 1 788 1 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 0 7.4246407 2.9034224 14.403717 1 789 1 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 0 7.502202 3.6550813 15.376071 1 790 1 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 0 5.520646 3.290813 12.806743 1 791 1 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 0 4.930896 4.2534 11.76374 1 792 1 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 0 3.601871 3.736217 11.246059 1 793 1 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 0 4.777977 5.652648 12.345394 1 794 1 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 0 7.6901035 1.6046641 14.473367 1 795 1 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 0 8.063307 0.9737283 15.724603 1 796 1 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 0 9.53793 1.208447 16.08078 1 797 1 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 0 9.890678 1.2070668 17.260015 1 798 1 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 0 7.7365766 -0.52789986 15.68816 1 799 1 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 0 6.2395725 -0.78829664 15.737903 1 800 1 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 0 5.8881893 -2.2695315 15.719259 1 801 1 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 0 4.4486637 -2.4572206 15.913553 1 802 1 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 0 3.8128984 -3.624522 15.8831005 1 803 1 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 0 4.506878 -4.7399874 15.665075 1 804 1 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 0 2.5020018 -3.6817398 16.05886 1 805 1 +ATOM N N . SER C0 3 18 . 18 SER C0 N 0 10.377368 1.4153972 15.074345 1 806 1 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 0 11.800404 1.71244 15.289905 1 807 1 +ATOM C C . SER C0 3 18 . 18 SER C0 C 0 11.9943285 3.1654096 15.704504 1 808 1 +ATOM O O . SER C0 3 18 . 18 SER C0 O 0 12.79347 3.4656286 16.588837 1 809 1 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 0 12.608368 1.4685726 14.01852 1 810 1 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 0 12.292746 0.24175443 13.437791 1 811 1 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 0 11.281136 4.0470686 15.040104 1 812 1 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 0 11.385546 5.4732757 15.307529 1 813 1 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 0 12.2324295 6.2244086 14.290689 1 814 1 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 0 12.456844 7.426679 14.441167 1 815 1 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 0 12.732571 5.55975 13.257873 1 816 1 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 0 13.498186 6.2338476 12.217524 1 817 1 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 0 12.534753 6.95908 11.279936 1 818 1 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 0 11.3519945 6.5959616 11.200687 1 819 1 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 0 14.350293 5.22649 11.442441 1 820 1 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 0 15.564969 5.8548574 10.790459 1 821 1 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 0 15.845575 7.0529704 11.047712 1 822 1 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 0 16.267193 5.164484 10.021374 1 823 1 +ATOM N N . MET C0 3 21 . 21 MET C0 N 0 13.018767 7.966279 10.592255 1 824 1 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 0 12.2324505 8.761499 9.646908 1 825 1 +ATOM C C . MET C0 3 21 . 21 MET C0 C 0 11.011736 9.425753 10.282195 1 826 1 +ATOM O O . MET C0 3 21 . 21 MET C0 O 0 9.950648 9.51772 9.666647 1 827 1 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 0 11.799148 7.9053984 8.453133 1 828 1 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 0 12.941457 7.164676 7.794464 1 829 1 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 0 12.652084 6.796873 6.047598 1 830 1 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 0 12.942893 8.4037895 5.323398 1 831 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 11.173552 9.93679 11.530846 1 832 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 10.082963 10.627504 12.218151 1 833 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 9.708839 11.927572 11.517693 1 834 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 8.631342 12.468647 11.738979 1 835 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 10.4601345 10.911319 13.682724 1 836 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 10.535779 9.669393 14.549709 1 837 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 10.833688 10.060228 16.00563 1 838 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 11.207872 8.868251 16.871876 1 839 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 10.015813 8.055204 17.282188 1 840 1 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 0 10.623913 12.445037 10.682316 1 841 1 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 0 10.337685 13.63788 9.888511 1 842 1 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 0 9.365477 13.309395 8.757273 1 843 1 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 0 8.704332 14.197911 8.227985 1 844 1 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 0 11.623265 14.215527 9.2854 1 845 1 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 0 12.5443945 14.819687 10.322811 1 846 1 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 0 12.05685 15.607209 11.161018 1 847 1 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 0 13.75499 14.511655 10.298923 1 848 1 +ATOM N N . SER C0 3 24 . 24 SER C0 N 0 9.316236 12.03804 8.38858 1 849 1 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 0 8.521273 11.5866995 7.244834 1 850 1 +ATOM C C . SER C0 3 24 . 24 SER C0 C 0 7.2045956 10.89868 7.6183395 1 851 1 +ATOM O O . SER C0 3 24 . 24 SER C0 O 0 6.217524 11.036007 6.8928003 1 852 1 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 0 9.341211 10.622599 6.384059 1 853 1 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 0 10.585878 11.199208 6.0089345 1 854 1 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 0 7.194481 10.163282 8.736334 1 855 1 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 0 6.023279 9.400522 9.134508 1 856 1 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 0 5.945307 9.279335 10.660004 1 857 1 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 0 6.97529 9.151768 11.331714 1 858 1 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 0 6.0293727 7.9963145 8.473809 1 859 1 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 0 4.7104177 7.2566957 8.724904 1 860 1 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 0 7.2160316 7.1672535 8.960001 1 861 1 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 0 4.581076 5.947226 7.9455123 1 862 1 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 0 4.7457533 9.326508 11.209025 1 863 1 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 0 4.554756 9.259756 12.669217 1 864 1 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 0 3.1779313 8.71085 12.994818 1 865 1 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 0 2.267097 8.698815 12.157761 1 866 1 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 0 4.69314 10.649149 13.301781 1 867 1 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 0 3.8451288 11.684227 12.620079 1 868 1 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 0 2.5230968 11.932182 12.79856 1 869 1 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 0 4.2731075 12.599472 11.6105585 1 870 1 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 0 2.1032498 12.944284 11.970846 1 871 1 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 0 3.1611834 13.369869 11.227575 1 872 1 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 0 5.502408 12.852886 10.9923935 1 873 1 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 0 3.2274027 14.372383 10.26327 1 874 1 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 0 5.5802555 13.843104 10.0325 1 875 1 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 0 4.451447 14.594974 9.663727 1 876 1 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 0 3.0204914 8.257124 14.261578 1 877 1 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 0 1.7226123 7.8029814 14.729157 1 878 1 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 0 0.83446616 9.006472 15.027378 1 879 1 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 0 1.2672865 9.958401 15.685873 1 880 1 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 0 1.8571113 6.9867716 16.023926 1 881 1 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 0 2.530656 5.656064 15.900662 1 882 1 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 0 3.7318392 5.292569 16.431139 1 883 1 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 0 2.026917 4.489388 15.223383 1 884 1 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 0 4.0162888 3.9803205 16.136211 1 885 1 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 0 2.9874482 3.4586987 15.388073 1 886 1 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 0 0.86098444 4.215155 14.492079 1 887 1 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 0 2.8164926 2.1830406 14.857271 1 888 1 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 0 0.6969538 2.942367 13.959884 1 889 1 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 0 1.6725669 1.9440913 14.14171 1 890 1 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 0 -0.40856647 8.947485 14.556201 1 891 1 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 0 -1.4115462 9.962288 14.890612 1 892 1 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 0 -2.1710832 9.465351 16.122992 1 893 1 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 0 -2.4669123 10.228379 17.029182 1 894 1 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 0 -2.3874946 10.199332 13.715126 1 895 1 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 0 -3.5742712 11.0457 14.170765 1 896 1 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 0 -1.6609348 10.886936 12.560141 1 897 1 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 0 -2.4419003 8.159866 16.125084 1 898 1 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 0 -3.0868478 7.4892135 17.25356 1 899 1 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 0 -2.5096755 6.078303 17.293617 1 900 1 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 0 -2.9608479 5.197668 16.567379 1 901 1 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 0 -4.6046543 7.4596634 17.054573 1 902 1 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 0 -5.35137 6.904375 18.261415 1 903 1 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 0 -4.7655454 6.0970583 19.01146 1 904 1 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 0 -6.536372 7.265933 18.449125 1 905 1 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 0 -1.4945235 5.8969736 18.141113 1 906 1 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 0 -0.7529104 4.651046 18.208982 1 907 1 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 0 -1.609472 3.4415631 18.561043 1 908 1 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 0 -1.4731411 2.378028 17.953716 1 909 1 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 0 0.39646423 4.7920156 19.208841 1 910 1 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 0 1.3990016 3.66585 19.187927 1 911 1 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 0 2.518542 3.9579024 20.176178 1 912 1 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 0 3.5528145 2.8473163 20.188072 1 913 1 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 0 4.630539 3.1332393 21.158928 1 914 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 -2.4911406 3.613811 19.530807 1 915 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 -3.3527975 2.530676 19.979462 1 916 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 -4.3383193 2.0757647 18.90514 1 917 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 -4.713049 0.91146886 18.856041 1 918 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 -4.127327 2.9369464 21.243357 1 919 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 -3.214559 3.2488163 22.412045 1 920 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 -2.3371046 2.409953 22.727407 1 921 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 -3.360578 4.337076 23.005005 1 922 1 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 0 -4.7426977 3.0021455 18.049597 1 923 1 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 0 -5.684445 2.6983168 16.980534 1 924 1 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 0 -4.9765596 2.2800994 15.684647 1 925 1 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 0 -5.6093216 1.7513609 14.766157 1 926 1 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 0 -6.59834 3.8977754 16.719791 1 927 1 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 0 -7.832614 3.5558724 15.899551 1 928 1 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 0 -8.847585 4.6928854 15.9108925 1 929 1 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 0 -10.128469 4.2971563 15.183742 1 930 1 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 0 -10.728368 3.053494 15.749474 1 931 1 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 0 -3.6684995 2.5130467 15.61273 1 932 1 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 0 -2.8927066 2.1571312 14.432606 1 933 1 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 0 -2.9470716 3.2013984 13.32888 1 934 1 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 0 -2.6771324 2.8968818 12.166037 1 935 1 +ATOM N N . THR C0 3 34 . 34 THR C0 N 0 -3.2831511 4.4372735 13.697538 1 936 1 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 0 -3.4092329 5.513208 12.722455 1 937 1 +ATOM C C . THR C0 3 34 . 34 THR C0 C 0 -2.0833652 6.2600894 12.5773115 1 938 1 +ATOM O O . THR C0 3 34 . 34 THR C0 O 0 -1.4870698 6.659543 13.574749 1 939 1 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 0 -4.5128264 6.506557 13.128607 1 940 1 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 0 -5.7243247 5.7828617 13.375326 1 941 1 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 0 -4.756569 7.530957 12.028793 1 942 1 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 0 -1.6190097 6.4068446 11.333706 1 943 1 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 0 -0.34841853 7.0772514 11.075413 1 944 1 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 0 -0.4737439 8.088298 9.944803 1 945 1 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 0 -1.4325966 8.067936 9.17481 1 946 1 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 0 0.7496091 6.0493736 10.759232 1 947 1 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 0 0.4652479 5.200597 9.541876 1 948 1 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 0 -0.365973 4.0901423 9.625072 1 949 1 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 0 1.0479771 5.500358 8.317107 1 950 1 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 0 -0.6241152 3.3034992 8.50267 1 951 1 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 0 0.7979961 4.714779 7.194747 1 952 1 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 0 -0.03869935 3.6173959 7.2927146 1 953 1 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 0 0.4950931 9.003305 9.867716 1 954 1 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 0 0.42804033 10.075289 8.886212 1 955 1 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 0 1.7870502 10.398906 8.2721615 1 956 1 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 0 2.8127947 10.330717 8.948481 1 957 1 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 0 -0.14537993 11.329438 9.535148 1 958 1 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 0 -0.34307992 12.509856 8.591548 1 959 1 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 0 -1.1274871 13.647868 9.229639 1 960 1 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 0 -2.2779665 13.919662 8.88526 1 961 1 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 0 -0.50512516 14.298705 10.197422 1 962 1 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 0 1.7771434 10.739188 6.979255 1 963 1 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 0 2.9858174 11.133866 6.2692347 1 964 1 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 0 3.1594582 12.649971 6.299597 1 965 1 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 0 2.1760955 13.387752 6.314513 1 966 1 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 0 2.9294238 10.686472 4.802062 1 967 1 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 0 2.9473493 9.19788 4.602971 1 968 1 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 0 1.7841074 8.518677 4.262492 1 969 1 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 0 4.123288 8.4792185 4.756521 1 970 1 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 0 1.7876146 7.1387577 4.0805025 1 971 1 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 0 4.1392417 7.1013155 4.5752954 1 972 1 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 0 2.9758368 6.4318833 4.238325 1 973 1 +ATOM N N . SER C0 3 38 . 38 SER C0 N 0 4.403639 13.101839 6.296611 1 974 1 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 0 4.7095637 14.527349 6.211852 1 975 1 +ATOM C C . SER C0 3 38 . 38 SER C0 C 0 4.5796814 14.992176 4.7568965 1 976 1 +ATOM O O . SER C0 3 38 . 38 SER C0 O 0 4.98113 14.276281 3.8420358 1 977 1 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 0 6.1336985 14.788067 6.699477 1 978 1 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 0 6.605977 16.042545 6.2559485 1 979 1 +ATOM N N . SER C0 3 39 . 39 SER C0 N 0 4.0423446 16.176758 4.539997 1 980 1 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 0 3.9561381 16.73959 3.1892476 1 981 1 +ATOM C C . SER C0 3 39 . 39 SER C0 C 0 5.3495283 16.9585 2.603031 1 982 1 +ATOM O O . SER C0 3 39 . 39 SER C0 O 0 5.6029034 16.621338 1.4474019 1 983 1 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 0 3.201625 18.072254 3.206465 1 984 1 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 0 1.8179365 17.86892 3.4667137 1 985 1 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 0 6.2519827 17.50605 3.4173384 1 986 1 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 0 7.5900106 17.874117 2.9574394 1 987 1 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 0 8.580965 16.715237 2.856762 1 988 1 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 0 9.507001 16.774822 2.047533 1 989 1 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 0 8.171841 18.979078 3.8452783 1 990 1 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 0 7.4611373 20.320086 3.6865625 1 991 1 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 0 8.102979 21.403952 4.5311575 1 992 1 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 0 7.3773117 22.730913 4.340201 1 993 1 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 0 8.008263 23.829641 5.1259766 1 994 1 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 0 8.415197 15.685806 3.6687002 1 995 1 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 0 9.414143 14.623964 3.7175436 1 996 1 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 0 8.94491 13.237028 3.273271 1 997 1 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 0 9.678958 12.264064 3.418133 1 998 1 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 0 10.01613 14.543552 5.1311893 1 999 1 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 0 10.610846 15.842353 5.5859556 1 1000 1 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 0 9.964218 16.688671 6.459382 1 1001 1 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 0 11.776394 16.450869 5.2834005 1 1002 1 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 0 10.709019 17.770157 6.6638765 1 1003 1 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 0 11.822157 17.642471 5.9507093 1 1004 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 7.745657 13.156224 2.7151227 1 1005 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 7.211051 11.869486 2.2834897 1 1006 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 7.9794664 11.246047 1.1171749 1 1007 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 8.065975 10.020449 1.0230966 1 1008 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 5.724219 11.985836 1.9240179 1 1009 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 5.4156914 12.960519 0.8175024 1 1010 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 3.905132 13.0774765 0.6273879 1 1011 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 3.5157247 13.99498 -0.5265999 1 1012 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 3.833644 15.396471 -0.24549368 1 1013 1 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 0 8.544691 12.061838 0.25187778 1 1014 1 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 0 9.301546 11.551047 -0.882181 1 1015 1 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 0 10.577755 10.832407 -0.45510793 1 1016 1 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 0 10.971693 9.847595 -1.0909989 1 1017 1 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 0 9.641657 12.679306 -1.8687564 1 1018 1 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 0 8.428407 13.355439 -2.515217 1 1019 1 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 0 7.62786 12.429752 -3.4253137 1 1020 1 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 0 6.5118384 12.827808 -3.831405 1 1021 1 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 0 8.102445 11.306593 -3.7283187 1 1022 1 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 0 11.210402 11.308407 0.6081548 1 1023 1 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 0 12.420758 10.664885 1.1246109 1 1024 1 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 0 12.114046 9.231024 1.5655525 1 1025 1 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 0 12.863903 8.298596 1.2687993 1 1026 1 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 0 12.992279 11.459511 2.291719 1 1027 1 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 0 10.994451 9.068116 2.2555983 1 1028 1 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 0 10.579304 7.7486935 2.7086864 1 1029 1 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 0 10.23694 6.8432894 1.5268033 1 1030 1 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 0 10.63909 5.683197 1.4940286 1 1031 1 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 0 9.383709 7.865516 3.66204 1 1032 1 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 0 8.930978 6.5829363 4.365212 1 1033 1 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 0 8.306626 6.916671 5.714184 1 1034 1 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 0 7.9726167 5.7692404 3.5194924 1 1035 1 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 0 9.502132 7.3923435 0.5557679 1 1036 1 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 0 9.12054 6.62413 -0.6219823 1 1037 1 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 0 10.357475 6.16279 -1.3910751 1 1038 1 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 0 10.420935 5.025766 -1.8604542 1 1039 1 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 0 8.213942 7.4577246 -1.5270944 1 1040 1 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 0 11.3378315 7.0400295 -1.5074809 1 1041 1 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 0 12.572535 6.703579 -2.2066479 1 1042 1 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 0 13.315329 5.5670443 -1.5018486 1 1043 1 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 0 13.820099 4.655986 -2.1564326 1 1044 1 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 0 13.469537 7.9449167 -2.3280425 1 1045 1 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 0 14.640257 7.7308536 -3.247581 1 1046 1 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 0 15.760695 8.548345 -3.231109 1 1047 1 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 0 14.87109 6.81324 -4.2115674 1 1048 1 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 0 16.617756 8.130289 -4.148227 1 1049 1 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 0 16.111317 7.0710483 -4.7543974 1 1050 1 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 0 13.356952 5.5952053 -0.1727607 1 1051 1 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 0 14.000519 4.5228896 0.57299817 1 1052 1 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 0 13.29833 3.1975431 0.30812463 1 1053 1 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 0 13.942228 2.1606293 0.1778805 1 1054 1 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 0 14.000815 4.8177185 2.0762384 1 1055 1 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 0 14.5592 3.6440816 2.8845372 1 1056 1 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 0 14.363472 3.8184996 4.364915 1 1057 1 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 0 15.433834 4.578731 4.9881544 1 1058 1 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 0 15.532503 4.7787876 6.290971 1 1059 1 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 0 16.547096 5.4766946 6.770973 1 1060 1 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 0 14.638201 4.262768 7.1191864 1 1061 1 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 0 11.982237 3.2383447 0.22816633 1 1062 1 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 0 11.202791 2.0374131 -0.07303502 1 1063 1 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 0 11.644463 1.4766943 -1.4292123 1 1064 1 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 0 11.848671 0.26858497 -1.5674453 1 1065 1 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 0 9.709143 2.366963 -0.08125982 1 1066 1 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 0 8.802134 1.2680811 -0.5716513 1 1067 1 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 0 7.8549566 1.3700006 -1.55434 1 1068 1 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 0 8.746863 -0.09501896 -0.122842714 1 1069 1 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 0 7.211899 0.17450541 -1.7313151 1 1070 1 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 0 7.738789 -0.7514459 -0.86772263 1 1071 1 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 0 9.446759 -0.82742107 0.838943 1 1072 1 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 0 7.41717 -2.097814 -0.6819382 1 1073 1 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 0 9.126145 -2.1786323 1.0251043 1 1074 1 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 0 8.117148 -2.7839007 0.26320297 1 1075 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 11.80178 2.3486376 -2.4218988 1 1076 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 12.2363825 1.917419 -3.743565 1 1077 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 13.62986 1.3121209 -3.7391226 1 1078 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 13.877916 0.3046185 -4.407838 1 1079 1 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 0 14.544226 1.909769 -2.9879947 1 1080 1 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 0 15.916157 1.4033849 -2.876523 1 1081 1 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 0 15.897341 -0.00808784 -2.3007529 1 1082 1 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 0 16.552921 -0.9075597 -2.8168159 1 1083 1 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 0 16.770407 2.3221188 -1.9714346 1 1084 1 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 0 16.929005 3.705431 -2.6104455 1 1085 1 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 0 18.143194 1.686151 -1.7281077 1 1086 1 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 0 17.519466 4.74749 -1.6613874 1 1087 1 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 0 15.126645 -0.19015709 -1.2327971 1 1088 1 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 0 15.021971 -1.4810908 -0.5750753 1 1089 1 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 0 14.472454 -2.5635123 -1.5058888 1 1090 1 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 0 14.969025 -3.6856022 -1.516762 1 1091 1 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 0 14.14382 -1.364162 0.6674615 1 1092 1 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 0 14.031257 -2.6658158 1.4435475 1 1093 1 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 0 13.560583 -2.450943 2.8691745 1 1094 1 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 0 13.689202 -1.3524082 3.4273653 1 1095 1 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 0 13.011148 -3.4900606 3.475285 1 1096 1 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 0 13.450953 -2.222553 -2.2777658 1 1097 1 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 0 12.83843 -3.181104 -3.2058785 1 1098 1 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 0 13.691652 -3.435441 -4.45416 1 1099 1 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 0 13.443659 -4.404795 -5.183209 1 1100 1 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 0 11.452759 -2.7037234 -3.6213632 1 1101 1 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 0 10.386707 -2.776754 -2.5247998 1 1102 1 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 0 9.985426 -4.218581 -2.2000856 1 1103 1 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 0 9.3103285 -4.950729 -3.3608513 1 1104 1 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 0 7.8762693 -4.6494646 -3.3832915 1 1105 1 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 0 14.675558 -2.593892 -4.7050323 1 1106 1 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 0 15.509975 -2.7399418 -5.8891506 1 1107 1 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 0 14.765505 -2.4372747 -7.1760406 1 1108 1 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 0 15.034676 -3.056456 -8.20327 1 1109 1 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 0 13.82608 -1.4956815 -7.108121 1 1110 1 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 0 13.056303 -1.1027576 -8.276762 1 1111 1 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 0 13.975933 -0.4835599 -9.317934 1 1112 1 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 0 14.9835415 0.1300785 -8.976116 1 1113 1 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 0 11.961439 -0.08990337 -7.903617 1 1114 1 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 0 10.891279 -0.68698406 -7.0161176 1 1115 1 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 0 10.192347 0.03627389 -6.294304 1 1116 1 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 0 10.732883 -2.0054698 -7.0492783 1 1117 1 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 0 13.633736 -0.6594721 -10.60062 1 1118 1 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 0 14.4802475 -0.12039723 -11.658197 1 1119 1 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 0 14.3198395 1.3831828 -11.795052 1 1120 1 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 0 15.270736 2.0801668 -12.12599 1 1121 1 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 0 14.230887 -0.855386 -12.976824 1 1122 1 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 0 13.341661 -0.18112516 -13.970791 1 1123 1 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 0 13.23435 -1.0278463 -15.249692 1 1124 1 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 0 13.228874 -0.15334532 -16.449062 1 1125 1 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 0 14.330381 0.1636112 -17.153723 1 1126 1 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 0 15.506997 -0.31946197 -16.797928 1 1127 1 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 0 14.232747 0.9622739 -18.1884 1 1128 1 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 0 13.117651 1.8984108 -11.525864 1 1129 1 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 0 12.8672905 3.3413792 -11.542944 1 1130 1 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 0 12.739422 3.8828764 -10.128509 1 1131 1 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 0 12.561453 3.125976 -9.177824 1 1132 1 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 0 11.601757 3.6659389 -12.342377 1 1133 1 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 0 11.697681 3.3322039 -13.816996 1 1134 1 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 0 10.56073 3.9859421 -14.613151 1 1135 1 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 0 10.801861 5.468907 -14.7846985 1 1136 1 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 0 9.986574 6.063648 -15.876057 1 1137 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 12.808996 5.1887856 -9.98475 1 1138 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 12.70957 5.8380165 -8.68639 1 1139 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 11.290059 5.761537 -8.133441 1 1140 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 10.323709 5.98898 -8.860695 1 1141 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 13.154874 7.297183 -8.78959 1 1142 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 13.256876 8.004051 -7.447365 1 1143 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 13.666111 9.463486 -7.6284013 1 1144 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 13.652406 10.203338 -6.3004 1 1145 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 13.981639 11.642979 -6.4529595 1 1146 1 +ATOM N N . MET C0 3 59 . 59 MET C0 N 0 11.18258 5.4341288 -6.842613 1 1147 1 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 0 9.882145 5.3561106 -6.176475 1 1148 1 +ATOM C C . MET C0 3 59 . 59 MET C0 C 0 9.458847 6.7411017 -5.7143188 1 1149 1 +ATOM O O . MET C0 3 59 . 59 MET C0 O 0 10.280952 7.5084953 -5.19772 1 1150 1 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 0 9.953865 4.3967004 -4.9804144 1 1151 1 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 0 8.654084 4.300755 -4.158758 1 1152 1 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 0 7.214287 3.719748 -5.0867567 1 1153 1 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 0 7.7495813 2.0609612 -5.534277 1 1154 1 +ATOM N N . THR C0 3 60 . 60 THR C0 N 0 8.188332 7.0772257 -5.9146514 1 1155 1 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 0 7.6294413 8.356651 -5.489742 1 1156 1 +ATOM C C . THR C0 3 60 . 60 THR C0 C 0 6.5107846 8.090666 -4.483578 1 1157 1 +ATOM O O . THR C0 3 60 . 60 THR C0 O 0 5.9912887 6.981051 -4.4025683 1 1158 1 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 0 7.0209913 9.141899 -6.6686716 1 1159 1 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 0 5.942993 8.374304 -7.222493 1 1160 1 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 0 8.068123 9.408325 -7.746299 1 1161 1 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 0 6.1322117 9.1198015 -3.729659 1 1162 1 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 0 5.0229053 8.960366 -2.793821 1 1163 1 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 0 3.7404537 8.586344 -3.5460763 1 1164 1 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 0 2.9524546 7.758796 -3.078424 1 1165 1 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 0 4.7819614 10.228748 -1.9577746 1 1166 1 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 0 3.530974 10.088945 -1.108093 1 1167 1 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 0 2.3251348 10.662876 -1.5105932 1 1168 1 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 0 3.5436578 9.331667 0.05691397 1 1169 1 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 0 1.166062 10.492471 -0.7595774 1 1170 1 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 0 2.393286 9.15444 0.811555 1 1171 1 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 0 1.212652 9.731552 0.39476714 1 1172 1 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 0 0.068949185 9.55673 1.1360741 1 1173 1 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 0 3.5484426 9.18385 -4.711478 1 1174 1 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 0 2.3569655 8.923892 -5.5061502 1 1175 1 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 0 2.2022414 7.4288206 -5.8180895 1 1176 1 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 0 1.1170518 6.866477 -5.671676 1 1177 1 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 0 2.4049654 9.725218 -6.800356 1 1178 1 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 0 1.0623751 9.812081 -7.51824 1 1179 1 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 0 1.0901945 10.760702 -8.694452 1 1180 1 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 0 1.5592266 10.406 -9.779404 1 1181 1 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 0 0.6150872 11.983895 -8.48425 1 1182 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 3.2980165 6.7869573 -6.2470946 1 1183 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 3.2609 5.3616457 -6.5421333 1 1184 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 3.1206474 4.5186877 -5.28038 1 1185 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 2.4557261 3.4789283 -5.295885 1 1186 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 4.499587 4.9452977 -7.347987 1 1187 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 4.4689093 5.4100513 -8.802254 1 1188 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 5.6067705 4.802822 -9.628687 1 1189 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 6.968194 5.3758717 -9.234661 1 1190 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 8.0417385 4.8318224 -10.069237 1 1191 1 +ATOM N N . MET C0 3 64 . 64 MET C0 N 0 3.7505598 4.941333 -4.1934366 1 1192 1 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 0 3.6353135 4.21356 -2.9416547 1 1193 1 +ATOM C C . MET C0 3 64 . 64 MET C0 C 0 2.1892557 4.269924 -2.4462788 1 1194 1 +ATOM O O . MET C0 3 64 . 64 MET C0 O 0 1.6549693 3.2699895 -1.9654807 1 1195 1 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 0 4.5835648 4.7767286 -1.8785638 1 1196 1 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 0 4.6925488 3.8647306 -0.6529093 1 1197 1 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 0 5.931643 4.4327135 0.54627967 1 1198 1 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 0 5.1504765 5.9321766 1.1295156 1 1199 1 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 0 1.5615151 5.444845 -2.604171 1 1200 1 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 0 0.16736266 5.6109924 -2.2055964 1 1201 1 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 0 -0.7468804 4.7419624 -3.0653617 1 1202 1 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 0 -1.743355 4.204762 -2.5758595 1 1203 1 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 0 -0.2486349 7.0755835 -2.3109837 1 1204 1 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 0 -0.41823345 4.602222 -4.364094 1 1205 1 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 0 -1.1810956 3.726221 -5.246669 1 1206 1 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 0 -1.1534278 2.2863622 -4.7105913 1 1207 1 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 0 -2.1970015 1.6218967 -4.6691303 1 1208 1 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 0 -0.6022877 3.7953892 -6.6772447 1 1209 1 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 0 -1.1554127 2.7624223 -7.6746483 1 1210 1 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 0 -2.5326273 3.1534102 -8.226636 1 1211 1 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 0 -3.5759788 2.4423695 -7.497599 1 1212 1 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 0 -4.2844276 1.4526231 -7.9911823 1 1213 1 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 0 -5.197281 0.85427225 -7.2378473 1 1214 1 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 0 -4.0666327 1.0307323 -9.241684 1 1215 1 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 0 0.009370745 1.8395283 -4.288941 1 1216 1 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 0 0.15732878 0.5023253 -3.7217193 1 1217 1 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 0 -0.589998 0.39896625 -2.3942094 1 1218 1 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 0 -1.2648053 -0.596743 -2.1131887 1 1219 1 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 0 1.6313922 0.17223963 -3.5250914 1 1220 1 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 0 -0.4667216 1.4582682 -1.5703002 1 1221 1 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 0 -1.1343448 1.5218736 -0.27527767 1 1222 1 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 0 -2.6448424 1.419738 -0.4296415 1 1223 1 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 0 -3.3126125 0.7365278 0.34823602 1 1224 1 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 0 -0.7708019 2.85435 0.39002413 1 1225 1 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 0 -0.19324605 2.9567933 1.8043244 1 1226 1 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 0 0.709265 4.176369 1.8564445 1 1227 1 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 0 0.50422454 1.712157 2.2649477 1 1228 1 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 0 -3.1870503 2.0932198 -1.460315 1 1229 1 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 0 -4.6320863 2.0574694 -1.7012454 1 1230 1 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 0 -5.1463656 0.6450678 -1.9440459 1 1231 1 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 0 -6.265317 0.31260478 -1.5567925 1 1232 1 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 0 -5.00156 2.9344535 -2.8975353 1 1233 1 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 0 -5.429208 4.332795 -2.5380247 1 1234 1 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 0 -6.072975 5.077922 -3.7081094 1 1235 1 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 0 -5.3390293 5.0627713 -4.9555535 1 1236 1 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 0 -4.324196 5.867538 -5.269327 1 1237 1 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 0 -3.902617 6.771263 -4.4085174 1 1238 1 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 0 -3.7411802 5.7693663 -6.4495993 1 1239 1 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 0 -4.3231134 -0.19421107 -2.560461 1 1240 1 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 0 -4.723654 -1.5730375 -2.820931 1 1241 1 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 0 -4.9366484 -2.3661497 -1.5296074 1 1242 1 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 0 -5.6956043 -3.33319 -1.5107446 1 1243 1 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 0 -3.6929426 -2.286973 -3.7118883 1 1244 1 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 0 -3.7184787 -1.7920152 -5.1502686 1 1245 1 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 0 -2.739996 -1.9475425 -5.890415 1 1246 1 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 0 -4.8230677 -1.1919427 -5.552912 1 1247 1 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 0 -4.2668247 -1.9554428 -0.44798553 1 1248 1 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 0 -4.447567 -2.6117766 0.8376157 1 1249 1 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 0 -5.856537 -2.3953736 1.3955216 1 1250 1 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 0 -6.290872 -3.125469 2.281901 1 1251 1 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 0 -3.4163396 -2.1263225 1.8581312 1 1252 1 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 0 -2.025639 -2.6593995 1.6572795 1 1253 1 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 0 -0.9201819 -1.8170633 1.7427787 1 1254 1 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 0 -1.7913743 -4.013157 1.4373088 1 1255 1 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 0 0.36838344 -2.303066 1.5958793 1 1256 1 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 0 -0.50691295 -4.5074224 1.2842216 1 1257 1 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 0 0.56327283 -3.6450236 1.368914 1 1258 1 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 0 1.8383107 -4.122256 1.2302097 1 1259 1 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 0 -6.56301 -1.408258 0.85654914 1 1260 1 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 0 -7.9395475 -1.1617851 1.269695 1 1261 1 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 0 -8.849518 -2.2922792 0.8130394 1 1262 1 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 0 -9.844208 -2.6040826 1.4700104 1 1263 1 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 0 -8.497283 -2.9021184 -0.31652978 1 1264 1 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 0 -9.267355 -4.0319424 -0.8516768 1 1265 1 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 0 -8.947636 -5.3292475 -0.11752929 1 1266 1 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 0 -9.808981 -6.2012234 -0.012107292 1 1267 1 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 0 -8.987156 -4.2081842 -2.3428288 1 1268 1 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 0 -9.355804 -3.0045342 -3.1958022 1 1269 1 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 0 -10.8463335 -2.9907265 -3.5210514 1 1270 1 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 0 -11.289972 -4.2432666 -4.2568116 1 1271 1 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 0 -12.404851 -3.9862118 -5.1873665 1 1272 1 +ATOM N N . THR C0 3 74 . 74 THR C0 N 0 -7.7123923 -5.45592 0.3707317 1 1273 1 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 0 -7.271071 -6.6817026 1.0413733 1 1274 1 +ATOM C C . THR C0 3 74 . 74 THR C0 C 0 -7.210682 -6.545678 2.5656455 1 1275 1 +ATOM O O . THR C0 3 74 . 74 THR C0 O 0 -6.9601135 -7.5278974 3.2661414 1 1276 1 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 0 -5.8976555 -7.140094 0.5151572 1 1277 1 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 0 -4.9598064 -6.0726776 0.6456821 1 1278 1 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 0 -6.0005045 -7.538503 -0.95579135 1 1279 1 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 0 -7.4498262 -5.3360763 3.0772111 1 1280 1 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 0 -7.6279144 -5.120282 4.496278 1 1281 1 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 0 -6.4204416 -4.891014 5.3915777 1 1282 1 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 0 -6.5776978 -4.802463 6.611528 1 1283 1 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 0 -5.2015123 -4.7854776 4.837383 1 1284 1 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 0 -4.021698 -4.5740595 5.678768 1 1285 1 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 0 -3.9156024 -3.1266882 6.147476 1 1286 1 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 0 -3.4996827 -2.861152 7.2835445 1 1287 1 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 0 -2.7361512 -4.9735627 4.937016 1 1288 1 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 0 -2.6451492 -6.470923 4.6229987 1 1289 1 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 0 -3.1555498 -6.796526 3.2354198 1 1290 1 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 0 -3.975578 -6.0268307 2.67984 1 1291 1 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 0 -2.7472878 -7.8241735 2.6801412 1 1292 1 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 0 -4.252904 -2.1834803 5.291918 1 1293 1 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 0 -4.2225986 -0.7546515 5.589999 1 1294 1 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 0 -5.4346724 -0.09700294 4.948354 1 1295 1 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 0 -5.8255377 -0.4680382 3.840468 1 1296 1 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 0 -2.9439538 -0.07541796 5.041413 1 1297 1 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 0 -2.9560509 1.4192232 5.337014 1 1298 1 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 0 -1.6934566 -0.7173988 5.637482 1 1299 1 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 0 -6.0361404 0.8600209 5.6270084 1 1300 1 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 0 -7.165654 1.6046928 5.0793176 1 1301 1 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 0 -6.8714824 3.091319 5.1176324 1 1302 1 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 0 -6.143667 3.5722563 5.982195 1 1303 1 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 0 -8.443518 1.2794814 5.8479295 1 1304 1 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 0 -8.898865 -0.14728837 5.6371818 1 1305 1 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 0 -10.219768 -0.43030939 6.3245497 1 1306 1 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 0 -10.647909 -1.8658009 6.0561676 1 1307 1 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 0 -11.96354 -2.1668897 6.70623 1 1308 1 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 0 -7.42691 3.8164172 4.153413 1 1309 1 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 0 -7.274624 5.2631245 4.087981 1 1310 1 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 0 -8.222701 5.8912163 5.0998917 1 1311 1 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 0 -9.361494 5.4517846 5.223891 1 1312 1 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 0 -7.6191216 5.75665 2.685226 1 1313 1 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 0 -7.411664 7.258583 2.456716 1 1314 1 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 0 -5.953222 7.6655335 2.609382 1 1315 1 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 0 -5.7386274 9.129938 2.2113435 1 1316 1 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 0 -4.6491084 9.747318 2.9883738 1 1317 1 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 0 -7.7684197 6.8830585 5.883588 1 1318 1 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 0 -8.69101 7.61615 6.7387953 1 1319 1 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 0 -8.905213 8.991428 6.121261 1 1320 1 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 0 -8.046911 9.508369 5.414857 1 1321 1 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 0 -8.303062 7.648552 8.254377 1 1322 1 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 0 -7.9749193 9.064636 8.72138 1 1323 1 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 0 -7.21231 6.659543 8.5788555 1 1324 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 -10.081119 9.555844 6.3390865 1 1325 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 -10.475839 10.797705 5.6756196 1 1326 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 -9.772259 12.016705 6.2591653 1 1327 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 -10.392725 12.928936 6.7840776 1 1328 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 -12.019806 10.953944 5.7033806 1 1329 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 -12.699375 9.92282 4.8345957 1 1330 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 -13.996362 9.373905 5.4897957 1 1331 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 -13.7465515 8.872011 6.907933 1 1332 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 -12.797485 7.718768 7.0292935 1 1333 1 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 0 -8.434509 11.993796 6.18401 1 1334 1 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 0 -7.5946045 13.099862 6.6208744 1 1335 1 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 0 -6.3612227 13.086771 5.724969 1 1336 1 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 0 -5.8669395 12.024494 5.349316 1 1337 1 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 0 -7.211982 12.933575 8.096592 1 1338 1 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 0 -6.7134504 14.206764 8.743097 1 1339 1 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 0 -7.1605062 14.293726 10.224527 1 1340 1 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 0 -6.218999 13.555008 11.156342 1 1341 1 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 0 -4.8408227 14.121025 11.126465 1 1342 1 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 0 -5.8800697 14.270521 5.359273 1 1343 1 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 0 -4.7729535 14.413607 4.4332376 1 1344 1 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 0 -3.5416076 13.604078 4.847813 1 1345 1 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 0 -3.0245185 13.778186 5.9578724 1 1346 1 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 0 -4.4089365 15.892422 4.2922034 1 1347 1 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 0 -3.4333382 16.2215 3.173015 1 1348 1 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 0 -3.3162656 17.73861 3.0319898 1 1349 1 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 0 -2.2528973 18.133615 2.0201044 1 1350 1 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 0 -2.1283855 19.59779 1.9208965 1 1351 1 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 0 -3.1173594 12.688181 3.969902 1 1352 1 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 0 -1.9245824 11.872406 4.174551 1 1353 1 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 0 -2.00098 10.91149 5.3565016 1 1354 1 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 0 -0.96101284 10.430974 5.812851 1 1355 1 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 0 -0.6814486 12.772106 4.3063197 1 1356 1 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 0 -0.36062074 13.601955 3.0416226 1 1357 1 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 0 0.48556805 14.810665 3.4102798 1 1358 1 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 0 0.35567588 12.735876 2.013463 1 1359 1 +ATOM N N . THR C0 3 85 . 85 THR C0 N 0 -3.1946592 10.603001 5.842806 1 1360 1 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 0 -3.2722979 9.694351 6.9729204 1 1361 1 +ATOM C C . THR C0 3 85 . 85 THR C0 C 0 -3.9459946 8.349085 6.644789 1 1362 1 +ATOM O O . THR C0 3 85 . 85 THR C0 O 0 -4.928738 8.281074 5.908529 1 1363 1 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 0 -3.7854486 10.368856 8.2871685 1 1364 1 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 0 -4.971476 9.744814 8.752256 1 1365 1 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 0 -3.9406552 11.843188 8.1617155 1 1366 1 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 0 -3.3356462 7.280904 7.1613846 1 1367 1 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 0 -3.7419186 5.907816 6.9212112 1 1368 1 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 0 -3.8774257 5.1693664 8.241852 1 1369 1 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 0 -3.5438929 5.701251 9.2981 1 1370 1 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 0 -2.7180293 5.2019734 6.025031 1 1371 1 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 0 -2.7333717 5.670868 4.587434 1 1372 1 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 0 -2.1092741 6.8556433 4.213557 1 1373 1 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 0 -3.3746374 4.937047 3.5991025 1 1374 1 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 0 -2.1232567 7.3066454 2.8976207 1 1375 1 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 0 -3.3935199 5.3695583 2.2760348 1 1376 1 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 0 -2.7694056 6.5522428 1.9361091 1 1377 1 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 0 -2.793118 6.990462 0.6307391 1 1378 1 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 0 -4.3724504 3.9310694 8.181038 1 1379 1 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 0 -4.590216 3.1605 9.4017105 1 1380 1 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 0 -4.328229 1.6693909 9.203621 1 1381 1 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 0 -4.88943 1.050631 8.307058 1 1382 1 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 0 -6.0190372 3.3826103 9.901722 1 1383 1 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 0 -6.3241425 2.6964355 11.217228 1 1384 1 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 0 -7.732078 2.984941 11.701393 1 1385 1 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 0 -8.558907 3.5451105 10.970991 1 1386 1 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 0 -8.0271015 2.6096478 12.937632 1 1387 1 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 0 -3.4674034 1.0942459 10.059296 1 1388 1 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 0 -3.1872382 -0.3361301 10.0310135 1 1389 1 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 0 -4.368785 -1.1142734 10.603718 1 1390 1 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 0 -5.0413656 -0.63268816 11.519384 1 1391 1 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 0 -1.9541062 -0.6649225 10.87195 1 1392 1 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 0 -0.6470677 -0.24727124 10.264773 1 1393 1 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 0 0.11889586 0.73695356 10.869027 1 1394 1 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 0 -0.1823159 -0.8455837 9.1071 1 1395 1 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 0 1.3396262 1.1288698 10.322786 1 1396 1 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 0 1.0325975 -0.46391305 8.553643 1 1397 1 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 0 1.793768 0.52273893 9.158563 1 1398 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 -4.6028166 -2.3024294 10.068766 1 1399 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 -5.638843 -3.1766984 10.610758 1 1400 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 -5.125251 -3.8149874 11.896763 1 1401 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 -3.9181402 -3.823023 12.15539 1 1402 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 -5.995555 -4.2722535 9.607134 1 1403 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 -4.9206038 -5.1947703 9.481411 1 1404 1 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 0 -6.04914 -4.3480372 12.698364 1 1405 1 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 0 -5.6600437 -5.0368147 13.911892 1 1406 1 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 0 -4.7854223 -6.2406044 13.610354 1 1407 1 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 0 -3.8798208 -6.5650935 14.372133 1 1408 1 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 0 -5.0433865 -6.8965693 12.4965515 1 1409 1 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 0 -4.2612114 -8.05537 12.070322 1 1410 1 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 0 -2.7892356 -7.678319 11.882326 1 1411 1 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 0 -1.8944094 -8.3748455 12.365514 1 1412 1 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 0 -4.817835 -8.631891 10.765129 1 1413 1 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 0 -3.9450972 -9.698755 10.112389 1 1414 1 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 0 -4.4550085 -10.121739 8.750458 1 1415 1 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 0 -5.2191687 -11.107502 8.67182 1 1416 1 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 0 -4.1181707 -9.458244 7.751882 1 1417 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 -2.5511718 -6.5844746 11.166107 1 1418 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 -1.196738 -6.1054125 10.908188 1 1419 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 -0.4975232 -5.7003856 12.207661 1 1420 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 0.70770717 -5.869582 12.349465 1 1421 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 -1.2040492 -4.924489 9.905661 1 1422 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 0.12655208 -4.1949897 9.888994 1 1423 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 -1.5591886 -5.437229 8.515022 1 1424 1 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 0 -1.2622429 -5.17307 13.163046 1 1425 1 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 0 -0.73592985 -4.741766 14.45455 1 1426 1 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 0 -0.47361523 -5.90788 15.411459 1 1427 1 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 0 0.13448948 -5.7211204 16.465416 1 1428 1 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 0 -1.6961751 -3.7477994 15.116432 1 1429 1 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 0 -1.8299233 -2.3702283 14.462669 1 1430 1 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 0 -2.9940987 -1.6033051 15.07902 1 1431 1 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 0 -0.54004586 -1.5770088 14.600032 1 1432 1 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 0 -0.93663436 -7.0735264 15.059653 1 1433 1 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 0 -0.7518058 -8.249716 15.897979 1 1434 1 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 0 -1.6723106 -8.29508 17.091625 1 1435 1 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 0 -1.2559488 -8.709508 18.180275 1 1436 1 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 0 -2.905306 -7.845948 16.897327 1 1437 1 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 0 -3.893764 -7.826123 17.987457 1 1438 1 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 0 -5.061926 -8.776789 17.709616 1 1439 1 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 0 -6.200447 -8.491366 18.083538 1 1440 1 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 0 -4.4089475 -6.4111214 18.197704 1 1441 1 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 0 -3.3991637 -5.524315 18.906483 1 1442 1 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 0 -4.05555 -4.300043 19.501358 1 1443 1 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 0 -3.9867487 -3.1420968 18.602846 1 1444 1 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 0 -5.0603104 -2.4584756 18.188942 1 1445 1 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 0 -4.8999743 -1.4265392 17.382551 1 1446 1 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 0 -6.273967 -2.806799 18.580027 1 1447 1 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 0 -4.7828727 -9.897461 17.085327 1 1448 1 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 0 -5.8169603 -10.882096 16.813118 1 1449 1 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 0 -6.3373218 -11.493327 18.098976 1 1450 1 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 0 -5.5676 -11.82313 18.99587 1 1451 1 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 0 -7.6407614 -11.609477 18.168077 1 1452 1 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 0 -8.24609 -12.229303 19.337065 1 1453 1 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 0 -8.707626 -11.256065 20.410103 1 1454 1 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 0 -9.528383 -11.608094 21.2687 1 1455 1 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 0 -8.172536 -10.019572 20.376398 1 1456 1 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 0 -8.546707 -9.018595 21.375166 1 1457 1 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 0 -10.030481 -8.708334 21.293148 1 1458 1 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 0 -10.715441 -8.618124 22.314297 1 1459 1 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 0 -7.722083 -7.7407103 21.177965 1 1460 1 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 0 -7.815092 -6.688978 22.290104 1 1461 1 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 0 -7.0029197 -5.4472437 21.919806 1 1462 1 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 0 -7.3330584 -7.259907 23.627184 1 1463 1 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 0 -10.532251 -8.527069 20.07278 1 1464 1 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 0 -11.9524975 -8.261938 19.855556 1 1465 1 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 0 -12.806509 -9.461043 20.272453 1 1466 1 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 0 -13.934427 -9.296072 20.735168 1 1467 1 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 0 -12.209192 -7.918515 18.387623 1 1468 1 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 0 -12.228707 -10.655962 20.111603 1 1469 1 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 0 -12.926077 -11.884933 20.48021 1 1470 1 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 0 -13.12669 -12.003704 21.993057 1 1471 1 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 0 -14.11679 -12.587499 22.452866 1 1472 1 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 0 -12.15247 -13.107735 19.971436 1 1473 1 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 0 -11.989544 -13.16324 18.460587 1 1474 1 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 0 -11.030265 -14.268604 18.032394 1 1475 1 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 0 -10.267914 -14.0784 17.077347 1 1476 1 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 0 -11.0223 -15.338444 18.685246 1 1477 1 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 0 -12.153375 -11.458387 22.754581 1 1478 1 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 0 -12.190331 -11.561577 24.212353 1 1479 1 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 0 -13.153743 -10.568237 24.856949 1 1480 1 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 0 -13.474035 -10.703207 26.043373 1 1481 1 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 0 -10.786186 -11.356031 24.785915 1 1482 1 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 0 -9.799732 -12.472469 24.425734 1 1483 1 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 0 -8.51782 -12.383049 25.261513 1 1484 1 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 0 -7.721266 -11.195064 24.92815 1 1485 1 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 0 -6.8259773 -11.13879 23.931648 1 1486 1 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 0 -6.622652 -12.191299 23.153244 1 1487 1 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 0 -6.126651 -10.011877 23.7169 1 1488 1 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 0 -13.653231 -9.574526 24.084686 1 1489 1 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 0 -14.511241 -8.525068 24.630852 1 1490 1 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 0 -15.975672 -8.916967 24.744179 1 1491 1 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 0 -16.522434 -9.574086 23.857103 1 1492 1 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 0 -14.387837 -7.232615 23.79931 1 1493 1 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 0 -13.048647 -6.5356197 23.972076 1 1494 1 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 0 -12.909327 -5.3438454 23.03754 1 1495 1 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 0 -11.568696 -4.778041 23.115208 1 1496 1 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 0 -10.869028 -4.3816195 22.064877 1 1497 1 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 0 -9.651749 -3.8805099 22.216644 1 1498 1 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 0 -11.380894 -4.472515 20.84939 1 1499 1 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 0 -16.627079 -8.481049 25.84092 1 1500 1 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 0 -18.05966 -8.690855 26.093485 1 1501 1 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 0 -18.653759 -7.3653812 26.500196 1 1502 1 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 0 -18.031229 -6.629674 27.29324 1 1503 1 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 0 -18.272709 -9.731001 27.19992 1 1504 1 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 0 -17.727888 -11.102673 26.869865 1 1505 1 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 0 -17.996548 -11.764139 25.673717 1 1506 1 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 0 -16.9239 -11.883069 27.618057 1 1507 1 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 0 -17.406645 -12.92477 25.634148 1 1508 1 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 0 -16.682526 -13.047375 26.889439 1 1509 1 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 0 -19.779411 -7.0319533 25.931313 1 1510 1 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 0 -20.572208 -7.8472157 24.992378 1 1511 1 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 0 -20.136532 -7.64818 23.542458 1 1512 1 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 0 -18.935614 -7.5286417 23.302744 1 1513 1 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 0 -21.993046 -7.3268776 25.201153 1 1514 1 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 0 -21.789295 -5.8720965 25.523418 1 1515 1 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 0 -20.482605 -5.804888 26.278809 1 1516 1 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 0 -21.038166 -7.6001043 22.52341 1 1517 1 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 0 -20.701729 -7.520093 21.09143 1 1518 1 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 0 -19.904518 -6.2779713 20.697124 1 1519 1 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 0 -19.695341 -5.389139 21.521608 1 1520 1 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 0 -22.073675 -7.515506 20.408884 1 1521 1 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 0 -22.996944 -6.9253798 21.40485 1 1522 1 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 0 -22.532291 -7.54012 22.70908 1 1523 1 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 0 -19.428566 -6.2809057 19.396126 1 1524 1 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 0 -18.64693 -5.1976843 18.80098 1 1525 1 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 0 -17.557383 -4.6950083 19.721184 1 1526 1 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 0 -16.36089 -5.08897 19.573153 1 1527 1 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 0 -19.550604 -4.0497704 18.35268 1 1528 1 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 0 -20.24005 -4.3082466 17.042616 1 1529 1 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 0 -20.26162 -5.547165 16.463278 1 1530 1 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 0 -20.917446 -3.4814072 16.220602 1 1531 1 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 0 -20.936323 -5.5029707 15.315063 1 1532 1 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 0 -21.346268 -4.233161 15.145296 1 1533 1 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 0 -17.864786 -3.946764 20.581188 1 1534 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4.cif new file mode 100644 index 0000000000000000000000000000000000000000..afa4c4f97b5fcc49af0a5956e69441b0c8b4269f --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4.cif @@ -0,0 +1,1861 @@ +data_8e3r-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 94.14 -12.069883 23.498043 -20.70422 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 95.7 -12.9976425 24.060352 -19.723972 1 2 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 94.92 -13.51075 23.553288 -18.518564 1 3 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 94.53 -14.223167 24.20073 -20.804935 1 4 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 93.75 -12.451181 25.688057 -19.532494 1 5 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 94.53 -12.754072 25.993633 -18.302874 1 6 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 96.88 -11.595517 26.434282 -17.422031 1 7 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 97.27 -12.074565 26.264265 -16.054344 1 8 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 96.88 -10.262905 25.659676 -17.484386 1 9 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 96.88 -9.181574 26.515326 -17.142712 1 10 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 96.88 -10.463714 24.571522 -16.433714 1 11 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 97.27 -11.290724 25.27933 -15.38262 1 12 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 97.66 -12.207541 24.390686 -14.660202 1 13 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 97.66 -13.129289 23.52393 -15.182922 1 14 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 97.27 -13.832073 22.878521 -14.282937 1 15 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 97.66 -13.344153 23.356155 -13.08205 1 16 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 97.27 -13.670388 23.067688 -11.750755 1 17 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 96.88 -14.618246 22.18737 -11.392128 1 18 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 97.27 -12.98018 23.734406 -10.791843 1 19 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 96.88 -12.0319605 24.6227 -11.148099 1 20 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 97.27 -11.633488 24.972656 -12.373007 1 21 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 97.66 -12.337202 24.294373 -13.302132 1 22 +ATOM P P . DA A0 1 2 . 2 DA A0 P 94.53 -7.641304 26.222216 -17.329184 1 23 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 90.23 -7.531105 25.005497 -18.1639 1 24 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 87.5 -6.937183 27.471931 -17.720486 1 25 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 92.97 -7.2026763 25.841637 -15.84115 1 26 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 93.75 -7.2634 26.82052 -14.825153 1 27 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 94.92 -6.8215857 26.238148 -13.506657 1 28 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 94.92 -7.890969 25.437946 -12.9342 1 29 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 94.53 -5.591057 25.34056 -13.580807 1 30 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 95.31 -4.6913323 25.711107 -12.539592 1 31 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 94.53 -6.1601 23.929594 -13.401712 1 32 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 95.7 -7.3899837 24.18144 -12.538323 1 33 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 95.7 -8.487436 23.224777 -12.696844 1 34 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 95.31 -8.999681 22.729252 -13.867672 1 35 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 94.92 -9.999031 21.90109 -13.701499 1 36 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 95.7 -10.163975 21.850971 -12.325736 1 37 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 95.7 -11.067955 21.146973 -11.505444 1 38 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 94.53 -12.017009 20.331291 -11.983091 1 39 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 95.31 -10.965429 21.311596 -10.170637 1 40 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 94.92 -10.01939 22.132042 -9.701962 1 41 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 95.7 -9.113831 22.846134 -10.369888 1 42 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 96.09 -9.240741 22.658478 -11.692118 1 43 +ATOM P P . DT A0 1 3 . 3 DT A0 P 94.14 -3.23202 24.995173 -12.380789 1 44 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 91.8 -2.988986 24.107952 -13.543543 1 45 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 90.62 -2.2542748 26.064306 -12.026847 1 46 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 92.19 -3.4608402 24.078146 -11.103302 1 47 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 93.36 -4.318944 24.531935 -10.080337 1 48 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 96.48 -4.4992805 23.458447 -9.029108 1 49 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 95.31 -5.6838503 22.666933 -9.314049 1 50 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 96.48 -3.3508482 22.46423 -8.912586 1 51 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 95.7 -3.1110315 22.236134 -7.5369153 1 52 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 95.31 -3.8825388 21.215351 -9.61058 1 53 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 96.48 -5.3504376 21.29985 -9.259734 1 54 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 96.88 -6.2944684 20.57648 -10.148473 1 55 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 96.88 -7.3605537 19.941874 -9.546919 1 56 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 96.09 -7.5579243 19.939625 -8.3428 1 57 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 96.48 -8.204781 19.29689 -10.4112015 1 58 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 96.48 -8.094612 19.231062 -11.785268 1 59 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 96.09 -8.926572 18.620962 -12.455547 1 60 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 96.09 -6.9506884 19.914467 -12.346165 1 61 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 96.09 -6.739363 19.89704 -13.834357 1 62 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 96.48 -6.119793 20.549356 -11.512539 1 63 +ATOM P P . DA A0 1 4 . 4 DA A0 P 93.75 -1.8877915 21.401407 -7.005958 1 64 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 92.58 -1.3476813 20.601776 -8.131133 1 65 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 91.8 -0.9965903 22.31679 -6.255335 1 66 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 90.23 -2.567828 20.405151 -5.9688387 1 67 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 93.36 -3.8984017 20.629642 -5.5343103 1 68 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 96.48 -4.4723125 19.355886 -4.9595737 1 69 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 96.48 -5.3648114 18.719849 -5.9159946 1 70 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 96.88 -3.4386473 18.302856 -4.5993643 1 71 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 96.09 -3.900257 17.647999 -3.4355185 1 72 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 95.7 -3.4359186 17.388 -5.825894 1 73 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 97.27 -4.903878 17.421595 -6.2144556 1 74 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 97.66 -5.2166057 17.173868 -7.6191306 1 75 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 97.27 -4.530209 17.59109 -8.725304 1 76 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 97.27 -5.088747 17.244041 -9.8582 1 77 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 97.27 -6.230978 16.551094 -9.470732 1 78 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 97.27 -7.2525954 15.922652 -10.204716 1 79 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 96.88 -7.296081 15.899979 -11.53873 1 80 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 97.27 -8.239055 15.317041 -9.510223 1 81 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 97.27 -8.193253 15.349791 -8.174062 1 82 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 97.66 -7.2819815 15.909613 -7.37161 1 83 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 97.66 -6.3146305 16.502136 -8.096651 1 84 +ATOM P P . DA A0 1 5 . 5 DA A0 P 94.14 -3.0165439 16.575846 -2.7141702 1 85 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 92.58 -1.8624872 16.172146 -3.561038 1 86 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 91.8 -2.7962637 17.059393 -1.3273207 1 87 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 91.02 -4.036787 15.363324 -2.6692362 1 88 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 94.53 -5.427227 15.616195 -2.539291 1 89 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 97.66 -6.229574 14.371429 -2.8380556 1 90 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 97.27 -6.4243956 14.231239 -4.2704062 1 91 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 97.66 -5.5968795 13.066683 -2.3634427 1 92 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 97.27 -6.6415963 12.288432 -1.8048036 1 93 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 96.88 -5.0076075 12.46829 -3.6383228 1 94 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 98.05 -5.986419 12.961626 -4.6952205 1 95 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 98.05 -5.4698944 13.140481 -6.050666 1 96 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 98.05 -4.302838 13.730718 -6.436643 1 97 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 98.05 -4.138488 13.790028 -7.7379107 1 98 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 98.05 -5.2860312 13.192018 -8.24259 1 99 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 98.05 -5.7216077 12.942276 -9.553625 1 100 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 98.05 -5.026068 13.283424 -10.642413 1 101 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 98.05 -6.909171 12.323109 -9.711521 1 102 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 98.05 -7.607814 11.986004 -8.620489 1 103 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 98.05 -7.3037295 12.169702 -7.3335953 1 104 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 98.05 -6.1141987 12.784306 -7.216133 1 105 +ATOM P P . DA A0 1 6 . 6 DA A0 P 94.92 -6.3588204 10.866964 -1.1460265 1 106 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 94.14 -4.902807 10.661277 -0.93940306 1 107 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 92.97 -7.303447 10.747059 -0.007590009 1 108 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 91.41 -6.8487563 9.893528 -2.296642 1 109 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 94.53 -8.143078 10.072283 -2.8534932 1 110 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 97.27 -8.38016 9.129166 -4.0029716 1 111 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 96.88 -7.7234564 9.630184 -5.189767 1 112 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 97.66 -7.8624597 7.707406 -3.7912788 1 113 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 96.88 -8.921614 6.8037605 -4.072011 1 114 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 96.88 -6.710503 7.583392 -4.790909 1 115 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 97.66 -7.116802 8.563391 -5.872237 1 116 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 98.05 -6.0276937 9.126076 -6.6752415 1 117 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 98.44 -4.8810983 9.721051 -6.228751 1 118 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 98.05 -4.0936627 10.145139 -7.1870522 1 119 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 98.05 -4.7714887 9.803587 -8.353067 1 120 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 98.05 -4.4596944 9.978914 -9.710766 1 121 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 97.66 -3.3476796 10.566647 -10.144818 1 122 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 98.05 -5.3438888 9.52515 -10.616373 1 123 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 98.05 -6.4636335 8.934556 -10.179832 1 124 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 98.05 -6.8673124 8.712377 -8.923851 1 125 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 98.05 -5.964443 9.174685 -8.050486 1 126 +ATOM P P . DA A0 1 7 . 7 DA A0 P 93.75 -8.725676 5.2267523 -3.8111987 1 127 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 92.97 -7.4552326 4.9601994 -3.1001415 1 128 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 91.8 -10.01524 4.7484674 -3.2576623 1 129 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 90.23 -8.590576 4.6628113 -5.2886753 1 130 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 94.14 -9.564413 5.014477 -6.254532 1 131 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 96.88 -9.116364 4.6118383 -7.63527 1 132 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 96.48 -8.0398855 5.4687304 -8.07589 1 133 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 97.27 -8.596146 3.1730614 -7.7500796 1 134 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 96.48 -9.348858 2.500347 -8.744299 1 135 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 96.09 -7.129137 3.3368385 -8.153212 1 136 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 97.27 -7.1163316 4.698887 -8.811535 1 137 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 97.66 -5.833634 5.402094 -8.78667 1 138 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 97.66 -5.1012278 5.7711353 -7.6913986 1 139 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 97.27 -3.9936123 6.4015865 -7.98367 1 140 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 97.27 -3.9901438 6.455452 -9.374384 1 141 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 97.66 -3.0801558 6.9950886 -10.299405 1 142 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 97.27 -1.9586012 7.6147957 -9.9554615 1 143 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 97.27 -3.3774521 6.873148 -11.609465 1 144 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 97.27 -4.508109 6.2504683 -11.95887 1 145 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 97.66 -5.4445953 5.701549 -11.173458 1 146 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 97.66 -5.118186 5.8393183 -9.879379 1 147 +ATOM P P . DG A0 1 8 . 8 DG A0 P 95.31 -9.318975 0.9013566 -8.838302 1 148 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 94.14 -8.643503 0.321113 -7.6684117 1 149 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 93.75 -10.713356 0.48586208 -9.187412 1 150 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 92.19 -8.400449 0.6693512 -10.11261 1 151 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 95.31 -8.4693165 1.612334 -11.137779 1 152 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 98.05 -7.4778633 1.3557549 -12.244244 1 153 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 97.66 -6.3560038 2.2710552 -12.093597 1 154 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 98.05 -6.875577 -0.04733274 -12.313544 1 155 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 98.05 -6.8815713 -0.46596533 -13.6674 1 156 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 97.27 -5.45228 0.1460292 -11.792732 1 157 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 98.05 -5.150998 1.5578206 -12.227606 1 158 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 98.05 -4.1553946 2.2519255 -11.420097 1 159 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 98.44 -4.087134 2.3266444 -10.046711 1 160 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 98.05 -3.0773962 3.025269 -9.62598 1 161 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 98.05 -2.4361763 3.4442697 -10.783472 1 162 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 98.05 -1.2770007 4.231156 -10.957759 1 163 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 98.05 -0.56140554 4.7451754 -10.081265 1 164 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 98.05 -0.97131586 4.4191446 -12.303131 1 165 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 98.05 -1.6962949 3.9024634 -13.348173 1 166 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 98.05 -1.246494 4.186234 -14.574921 1 167 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 98.44 -2.7866986 3.1654634 -13.205961 1 168 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 97.66 -3.092536 2.976218 -11.9020605 1 169 +ATOM P P . DG A0 1 9 . 9 DG A0 P 94.53 -6.645937 -1.9960318 -14.053814 1 170 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 93.75 -6.27693 -2.8197393 -12.885815 1 171 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 92.97 -7.816542 -2.355443 -14.897459 1 172 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 90.23 -5.376528 -1.8868514 -14.99554 1 173 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 94.14 -5.3745575 -0.91904753 -16.009094 1 174 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 97.27 -4.022029 -0.87663233 -16.68623 1 175 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 97.66 -3.105425 -0.07908822 -15.909845 1 176 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 98.05 -3.356688 -2.2352386 -16.852337 1 177 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 97.27 -2.6564405 -2.2152543 -18.085438 1 178 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 96.88 -2.3959348 -2.2991264 -15.661432 1 179 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 98.05 -1.9678444 -0.8504183 -15.562272 1 180 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 98.05 -1.5207541 -0.37435913 -14.256534 1 181 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 98.44 -2.1091442 -0.5771073 -13.032033 1 182 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 98.05 -1.4818556 0.012737401 -12.056469 1 183 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 98.05 -0.4135682 0.64854634 -12.666968 1 184 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 97.66 0.6214453 1.4494243 -12.113409 1 185 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 97.66 0.7991979 1.7796527 -10.942469 1 186 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 98.05 1.5107645 1.8924807 -13.095928 1 187 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 97.66 1.4101288 1.5998075 -14.4439125 1 188 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 98.05 2.3605826 2.1116123 -15.232778 1 189 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 98.44 0.44284305 0.8546876 -14.966083 1 190 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 97.66 -0.4262963 0.41664153 -14.025562 1 191 +ATOM P P . DA A0 1 10 . 10 DA A0 P 94.14 -2.2045417 -3.584437 -18.818096 1 192 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 94.14 -2.778626 -4.7647295 -18.125845 1 193 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 92.58 -2.4755154 -3.3529615 -20.265945 1 194 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 91.41 -0.6359619 -3.5991182 -18.612043 1 195 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 93.75 0.09572685 -2.476091 -19.036158 1 196 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 96.88 1.4749583 -2.492711 -18.441116 1 197 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 96.09 1.4437747 -1.9611104 -17.09365 1 198 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 96.88 2.1176472 -3.8859835 -18.335373 1 199 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 96.48 3.4230638 -3.8158336 -18.864769 1 200 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 96.09 2.1489773 -4.147148 -16.830845 1 201 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 97.27 2.3207397 -2.732338 -16.314583 1 202 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 97.27 2.0244915 -2.4978435 -14.909487 1 203 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 97.66 0.99274755 -2.9962435 -14.147081 1 204 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 97.27 1.0206447 -2.60792 -12.890171 1 205 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 97.27 2.1455498 -1.7960253 -12.817539 1 206 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 97.27 2.7340512 -1.0739019 -11.765076 1 207 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 96.88 2.2488627 -1.047739 -10.519206 1 208 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 96.88 3.8480077 -0.36441943 -12.027069 1 209 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 97.27 4.337694 -0.38593295 -13.276312 1 210 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 97.66 3.874109 -1.0303314 -14.354984 1 211 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 97.27 2.7643645 -1.7239938 -14.053333 1 212 +ATOM P P . DA A0 1 11 . 11 DA A0 P 94.14 4.1465225 -5.063546 -19.52867 1 213 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 92.58 3.6050446 -6.309743 -18.926266 1 214 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 92.19 4.1244774 -4.8613176 -21.003284 1 215 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 89.84 5.6446476 -4.8726645 -19.035774 1 216 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 93.36 6.1769576 -3.5659997 -19.002445 1 217 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 97.27 7.079192 -3.3978167 -17.809162 1 218 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 96.88 6.302417 -3.2215729 -16.603615 1 219 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 97.27 8.012548 -4.5831757 -17.550108 1 220 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 96.88 9.3347435 -4.092963 -17.473793 1 221 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 96.48 7.5201993 -5.148857 -16.217459 1 222 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 97.66 6.9480515 -3.9056451 -15.562978 1 223 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 97.66 6.0042496 -4.1266313 -14.478672 1 224 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 97.66 4.8871346 -4.921271 -14.4710655 1 225 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 97.27 4.254595 -4.9244313 -13.319069 1 226 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 97.66 5.010052 -4.07401 -12.518693 1 227 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 97.27 4.8678856 -3.6547039 -11.184999 1 228 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 97.27 3.879387 -4.052025 -10.379758 1 229 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 97.66 5.791432 -2.8060365 -10.694431 1 230 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 97.27 6.786235 -2.4063168 -11.4960375 1 231 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 98.05 7.018567 -2.7310927 -12.766487 1 232 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 97.66 6.084713 -3.5789275 -13.222331 1 233 +ATOM P P . DG A0 1 12 . 12 DG A0 P 94.53 10.586459 -5.0290756 -17.203419 1 234 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 93.75 10.108892 -6.4299974 -17.095505 1 235 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 93.75 11.638298 -4.6682386 -18.180859 1 236 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 90.62 11.065626 -4.54788 -15.765356 1 237 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 93.75 11.125311 -3.1634717 -15.465815 1 238 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 97.27 11.654089 -2.9586184 -14.0665245 1 239 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 97.27 10.57759 -3.1167455 -13.097057 1 240 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 97.27 12.737364 -3.9506125 -13.672081 1 241 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 96.88 13.756436 -3.273312 -12.962783 1 242 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 96.88 11.998733 -4.9595814 -12.796953 1 243 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 97.66 10.933058 -4.0964723 -12.144542 1 244 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 98.05 9.709957 -4.7985916 -11.760914 1 245 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 98.05 8.899555 -5.5637865 -12.563763 1 246 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 98.05 7.8689966 -6.05002 -11.935667 1 247 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 98.05 8.00131 -5.5745096 -10.638323 1 248 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 97.66 7.1836796 -5.770008 -9.498881 1 249 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 97.66 6.1353455 -6.419195 -9.405856 1 250 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 98.05 7.689398 -5.119279 -8.375874 1 251 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 98.05 8.838541 -4.3644004 -8.357965 1 252 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 98.05 9.1621275 -3.8070107 -7.1788282 1 253 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 98.05 9.609325 -4.165761 -9.414108 1 254 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 97.66 9.132534 -4.8004813 -10.516663 1 255 +ATOM P P . DT A0 1 13 . 13 DT A0 P 94.14 15.047623 -4.073657 -12.50335 1 256 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 92.97 15.045298 -5.4229455 -13.1238985 1 257 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 92.97 16.213049 -3.173563 -12.6778145 1 258 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 91.41 14.785549 -4.2662973 -10.955486 1 259 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 92.58 14.215174 -3.213738 -10.215506 1 260 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 96.48 14.302435 -3.5243826 -8.734374 1 261 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 95.31 13.085073 -4.181569 -8.301318 1 262 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 96.09 15.448086 -4.453747 -8.360642 1 263 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 94.92 16.06607 -3.9480994 -7.201403 1 264 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 94.53 14.771297 -5.8068933 -8.141525 1 265 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 96.09 13.388897 -5.403117 -7.6637464 1 266 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 96.88 12.270655 -6.3302727 -7.9908047 1 267 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 97.27 11.366648 -6.6348686 -6.9951005 1 268 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 96.88 11.455568 -6.219022 -5.8554864 1 269 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 96.88 10.337303 -7.4484954 -7.3842115 1 270 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 96.88 10.129793 -7.9730377 -8.64274 1 271 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 96.88 9.163994 -8.689903 -8.878969 1 272 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 97.27 11.122117 -7.621626 -9.632109 1 273 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 96.88 10.991709 -8.148773 -11.024664 1 274 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 96.88 12.129412 -6.8223524 -9.2647085 1 275 +ATOM P P . DG A0 1 14 . 14 DG A0 P 94.14 17.429628 -4.562228 -6.648469 1 276 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 93.36 18.007149 -5.416562 -7.7078657 1 277 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 92.19 18.220234 -3.463798 -6.0432754 1 278 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 92.19 16.90652 -5.4896193 -5.485696 1 279 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 92.19 16.137077 -4.9075675 -4.4540787 1 280 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 94.14 15.798151 -5.963084 -3.4284244 1 281 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 94.14 14.69281 -6.770339 -3.897177 1 282 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 93.36 16.938091 -6.9359417 -3.1500163 1 283 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 92.58 16.92131 -7.205742 -1.7717032 1 284 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 92.58 16.569729 -8.155442 -3.988553 1 285 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 94.14 15.064962 -8.128918 -3.8889499 1 286 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 94.92 14.321632 -8.76821 -4.9616084 1 287 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 94.92 14.672352 -8.928759 -6.2766447 1 288 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 94.92 13.76427 -9.526715 -6.9877806 1 289 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 95.7 12.739841 -9.778822 -6.089562 1 290 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 95.31 11.486475 -10.405997 -6.272528 1 291 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 94.92 11.005732 -10.876415 -7.312154 1 292 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 95.31 10.751885 -10.456713 -5.0963516 1 293 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 95.31 11.17173 -9.958061 -3.8867207 1 294 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 95.31 10.328611 -10.09329 -2.8628201 1 295 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 95.31 12.343649 -9.367415 -3.7025983 1 296 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 95.31 13.073905 -9.314247 -4.84081 1 297 +ATOM P P . DG A0 1 15 . 15 DG A0 P 94.53 18.060947 -8.019526 -1.0697584 1 298 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 93.75 18.789303 -8.814365 -2.087452 1 299 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 93.75 18.802565 -7.106427 -0.1672641 1 300 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 93.36 17.204895 -9.005997 -0.17573406 1 301 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 92.58 16.067318 -8.522501 0.51167274 1 302 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 93.75 15.22704 -9.705193 0.9444706 1 303 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 93.75 14.44458 -10.176488 -0.1860874 1 304 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 92.97 16.065554 -10.891302 1.4143484 1 305 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 92.19 15.465302 -11.469652 2.5547643 1 306 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 92.19 16.055365 -11.82304 0.21064529 1 307 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 92.97 14.698677 -11.5462475 -0.39364564 1 308 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 94.14 14.60184 -11.80672 -1.825113 1 309 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 93.75 15.511379 -11.493305 -2.7981558 1 310 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 94.53 15.148137 -11.867139 -3.991592 1 311 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 94.92 13.911039 -12.460573 -3.7970839 1 312 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 94.14 13.023338 -13.055982 -4.719353 1 313 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 94.14 13.160799 -13.17914 -5.9426155 1 314 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 94.53 11.873928 -13.541216 -4.1069546 1 315 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 94.53 11.615488 -13.45579 -2.7615302 1 316 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 94.14 10.454709 -13.972937 -2.351558 1 317 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 94.53 12.439074 -12.903364 -1.8833699 1 318 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 94.14 13.55947 -12.4244995 -2.4690037 1 319 +ATOM P P . DG A0 1 16 . 16 DG A0 P 94.14 16.07536 -12.803923 3.1751168 1 320 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 94.53 17.318165 -13.135199 2.4324393 1 321 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 93.75 16.092508 -12.683284 4.6434107 1 322 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 93.75 14.973483 -13.860411 2.7472634 1 323 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 92.58 13.593149 -13.6258335 3.0128777 1 324 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 92.97 12.792358 -14.850495 2.6153255 1 325 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 92.97 12.725762 -14.925845 1.1649759 1 326 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 92.58 13.407649 -16.162582 3.0768552 1 327 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 92.19 12.377213 -17.09184 3.3357003 1 328 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 91.8 14.214148 -16.597378 1.8629427 1 329 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 91.8 13.30752 -16.14579 0.7354569 1 330 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 93.36 13.969063 -15.903929 -0.5452117 1 331 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 92.97 15.170574 -15.2982235 -0.76144505 1 332 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 93.36 15.49571 -15.227689 -2.0243802 1 333 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 94.14 14.428593 -15.824993 -2.6827712 1 334 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 93.75 14.210622 -16.048668 -4.063093 1 335 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 92.97 14.935362 -15.746008 -5.0118537 1 336 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 93.75 13.003535 -16.696272 -4.303746 1 337 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 93.36 12.113092 -17.074219 -3.3274086 1 338 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 93.75 10.997978 -17.688087 -3.7528622 1 339 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 93.36 12.305194 -16.875385 -2.0294032 1 340 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 93.75 13.480765 -16.242922 -1.7855515 1 341 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 93.36 15.133347 -17.323984 -15.008078 1 342 +ATOM P P . DT B0 2 1 . 1 DT B0 P 95.7 16.485546 -18.251137 -14.760454 1 343 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 94.92 17.203209 -17.063549 -14.323968 1 344 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 95.31 16.310093 -18.888626 -15.93811 1 345 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 93.75 16.111567 -19.328455 -13.516336 1 346 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 94.53 15.736553 -20.60979 -13.934769 1 347 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 96.48 14.49474 -21.07665 -13.14001 1 348 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 97.27 14.90995 -21.284096 -11.76829 1 349 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 97.27 13.39878 -20.036312 -13.124172 1 350 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 96.88 12.139183 -20.594025 -13.486712 1 351 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 96.88 13.353642 -19.51519 -11.683228 1 352 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 97.27 14.0545 -20.587246 -10.875297 1 353 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 97.66 14.873413 -19.951742 -9.8068905 1 354 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 97.66 14.542697 -20.135788 -8.486877 1 355 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 97.66 13.628672 -20.84843 -8.106926 1 356 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 97.66 15.329016 -19.465714 -7.599371 1 357 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 97.27 16.391558 -18.631178 -7.900233 1 358 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 96.88 17.03102 -18.06099 -7.022604 1 359 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 97.27 16.685846 -18.482536 -9.292648 1 360 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 96.88 17.824291 -17.593578 -9.731984 1 361 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 97.27 15.924269 -19.142605 -10.17333 1 362 +ATOM P P . DC B0 2 2 . 2 DC B0 P 94.53 10.959093 -19.442047 -13.787106 1 363 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 92.19 11.534721 -18.072582 -13.770629 1 364 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 89.06 10.202831 -19.904678 -14.963806 1 365 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 93.75 10.045963 -19.603973 -12.490873 1 366 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 94.14 9.851892 -20.882309 -11.904442 1 367 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 94.53 9.180296 -20.727474 -10.556166 1 368 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 94.14 10.176296 -20.348103 -9.548272 1 369 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 93.75 8.105551 -19.643211 -10.522108 1 370 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 93.75 6.975148 -20.082047 -9.774791 1 371 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 93.36 8.795847 -18.470318 -9.830256 1 372 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 94.14 9.764824 -19.167873 -8.884986 1 373 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 94.92 10.971603 -18.363647 -8.567833 1 374 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 94.53 11.297736 -18.10376 -7.2309628 1 375 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 94.53 10.566144 -18.563835 -6.334471 1 376 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 94.92 12.391654 -17.358139 -6.9475293 1 377 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 94.53 13.138962 -16.892918 -7.9414544 1 378 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 93.75 14.214588 -16.162752 -7.621642 1 379 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 94.14 12.840105 -17.140633 -9.312719 1 380 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 94.53 11.753707 -17.8792 -9.575892 1 381 +ATOM P P . DC B0 2 3 . 3 DC B0 P 93.75 5.622857 -19.231068 -9.843649 1 382 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 91.8 5.844511 -18.010395 -10.665896 1 383 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 89.84 4.5833015 -20.212925 -10.246159 1 384 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 92.19 5.3272696 -18.751644 -8.346718 1 385 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 92.58 5.9741898 -19.370094 -7.244604 1 386 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 94.92 5.734643 -18.532833 -5.9988594 1 387 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 94.53 6.968406 -17.835217 -5.645637 1 388 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 94.14 4.671508 -17.44883 -6.16245 1 389 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 93.36 3.9311204 -17.309855 -4.9561844 1 390 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 93.36 5.4827194 -16.184767 -6.45183 1 391 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 94.14 6.7584767 -16.436085 -5.6651483 1 392 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 95.31 7.960209 -15.805989 -6.2638426 1 393 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 95.31 8.917037 -15.216891 -5.432805 1 394 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 95.31 8.746264 -15.240803 -4.205447 1 395 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 95.7 10.003638 -14.641717 -5.995322 1 396 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 95.7 10.149826 -14.646093 -7.324711 1 397 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 94.92 11.235651 -14.069684 -7.837489 1 398 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 95.31 9.187733 -15.242222 -8.191246 1 399 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 95.31 8.118626 -15.804092 -7.6192884 1 400 +ATOM P P . DC B0 2 4 . 4 DC B0 P 94.14 2.7002394 -16.26934 -4.8734846 1 401 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 93.36 2.674026 -15.391682 -6.0699644 1 402 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 91.8 1.5291221 -17.11488 -4.545373 1 403 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 92.19 3.0445342 -15.359507 -3.6182923 1 404 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 92.58 4.0087547 -15.798983 -2.6802478 1 405 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 94.92 4.565116 -14.625421 -1.9054502 1 406 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 94.92 5.7401304 -14.090846 -2.5728683 1 407 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 94.92 3.6139936 -13.452633 -1.748531 1 408 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 94.14 3.850583 -12.886385 -0.4738647 1 409 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 93.75 4.0437202 -12.491996 -2.8634353 1 410 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 94.92 5.545457 -12.718586 -2.8752546 1 411 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 95.7 6.2548065 -12.468414 -4.151272 1 412 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 95.7 7.525647 -11.903944 -4.1069508 1 413 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 95.7 8.021743 -11.603355 -3.0125728 1 414 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 96.09 8.192964 -11.707191 -5.2644577 1 415 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 95.7 7.6376567 -12.049492 -6.4319143 1 416 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 95.7 8.3279295 -11.842368 -7.5464897 1 417 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 96.09 6.3343916 -12.625808 -6.495142 1 418 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 95.7 5.689624 -12.814504 -5.3420277 1 419 +ATOM P P . DA B0 2 5 . 5 DA B0 P 94.14 2.6639915 -12.20788 0.3593879 1 420 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 91.8 1.4501989 -12.112015 -0.49518862 1 421 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 88.67 2.6110697 -12.877457 1.6791241 1 422 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 90.62 3.2236736 -10.74485 0.5815053 1 423 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 92.19 4.497139 -10.573428 1.1754715 1 424 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 94.92 5.0916815 -9.264833 0.73853385 1 425 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 94.14 5.5900126 -9.377389 -0.61695445 1 426 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 94.53 4.1170692 -8.078608 0.7348126 1 427 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 93.36 4.7854424 -6.9682627 1.3062266 1 428 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 92.97 3.8334634 -7.8681746 -0.757473 1 429 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 94.14 5.1856833 -8.243271 -1.3348354 1 430 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 95.7 5.2505827 -8.535105 -2.753697 1 431 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 95.7 4.2815332 -9.062981 -3.569473 1 432 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 95.7 4.642481 -9.19338 -4.822584 1 433 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 95.7 5.9494743 -8.7234 -4.833576 1 434 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 95.7 6.898533 -8.598838 -5.8645496 1 435 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 95.7 6.6725287 -8.948248 -7.125993 1 436 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 96.09 8.112845 -8.096999 -5.53849 1 437 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 95.7 8.341848 -7.7473516 -4.266956 1 438 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 96.09 7.524089 -7.822563 -3.2158575 1 439 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 96.48 6.331689 -8.321463 -3.5730782 1 440 +ATOM P P . DC B0 2 6 . 6 DC B0 P 94.14 3.9318128 -5.749544 1.8961802 1 441 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 93.75 2.7302449 -6.289712 2.5679114 1 442 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 92.19 4.874245 -4.880678 2.6732512 1 443 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 91.41 3.4774184 -5.0077634 0.57386225 1 444 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 93.75 4.0292253 -3.779398 0.19264218 1 445 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 96.48 5.4081154 -3.8958716 -0.39088777 1 446 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 95.7 5.4230814 -4.833999 -1.5030828 1 447 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 96.48 5.9329524 -2.5812304 -0.95324194 1 448 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 95.7 7.2671976 -2.3581452 -0.5567001 1 449 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 95.31 5.8568573 -2.7856786 -2.463753 1 450 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 96.48 6.0859528 -4.262147 -2.5982945 1 451 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 97.27 5.561963 -4.8217134 -3.8773336 1 452 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 97.27 6.414573 -4.9102836 -4.9804134 1 453 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 96.88 7.587062 -4.550993 -4.8744183 1 454 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 96.88 5.9266005 -5.397876 -6.144042 1 455 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 96.88 4.6527376 -5.7888556 -6.2324896 1 456 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 96.88 4.228689 -6.268529 -7.39491 1 457 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 96.88 3.7795262 -5.707847 -5.10553 1 458 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 96.48 4.268423 -5.220995 -3.9583194 1 459 +ATOM P P . DT B0 2 7 . 7 DT B0 P 95.31 7.8469596 -0.83433187 -0.58239007 1 460 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 94.53 6.7450213 0.13671662 -0.36590204 1 461 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 93.75 9.050091 -0.8217448 0.2936771 1 462 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 92.97 8.316625 -0.6689311 -2.0979767 1 463 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 95.31 9.441181 -1.3788885 -2.5590959 1 464 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 97.27 9.812244 -0.9274781 -3.9672117 1 465 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 96.48 8.902133 -1.516648 -4.929496 1 466 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 96.88 9.76428 0.5857452 -4.215164 1 467 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 96.48 10.9338665 0.8966625 -4.9697466 1 468 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 96.48 8.484522 0.7842013 -5.0405254 1 469 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 97.66 8.442867 -0.51785386 -5.82872 1 470 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 98.05 7.141445 -1.0200474 -6.3362494 1 471 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 98.05 7.106713 -1.4704461 -7.6372375 1 472 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 97.27 8.064436 -1.393261 -8.393991 1 473 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 97.66 5.9180417 -2.0208607 -8.030033 1 474 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 97.66 4.780698 -2.162908 -7.2639737 1 475 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 97.66 3.7728415 -2.6950283 -7.7256513 1 476 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 97.66 4.872077 -1.6644123 -5.9127707 1 477 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 97.66 3.6860757 -1.7642717 -5.0038204 1 478 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 97.66 6.0375776 -1.1228204 -5.521984 1 479 +ATOM P P . DT B0 2 8 . 8 DT B0 P 94.14 11.470357 2.382626 -5.1270084 1 480 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 93.36 10.677254 3.302888 -4.2806616 1 481 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 92.19 12.953206 2.3136153 -4.9779754 1 482 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 91.41 11.13521 2.7098098 -6.6508536 1 483 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 93.75 11.656636 1.8633974 -7.6568723 1 484 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 97.27 11.055345 2.1881623 -9.013226 1 485 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 96.48 9.75921 1.5433223 -9.151581 1 486 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 97.27 10.82802 3.6727614 -9.314115 1 487 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 96.48 11.494788 3.9603431 -10.537022 1 488 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 96.09 9.306784 3.8074014 -9.437454 1 489 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 97.27 8.896719 2.4053087 -9.8544235 1 490 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 98.05 7.5135746 1.9645209 -9.522545 1 491 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 98.05 6.795731 1.2647927 -10.480057 1 492 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 97.66 7.2298136 1.0177426 -11.593573 1 493 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 97.66 5.5502186 0.85439825 -10.083376 1 494 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 97.66 4.9710655 1.0749147 -8.851976 1 495 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 97.66 3.8452609 0.6512522 -8.600139 1 496 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 97.66 5.763179 1.8157212 -7.8939133 1 497 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 97.27 5.217579 2.1103683 -6.5272555 1 498 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 98.05 6.985816 2.2193327 -8.274751 1 499 +ATOM P P . DC B0 2 9 . 9 DC B0 P 94.14 11.532326 5.49685 -11.120881 1 500 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 93.36 11.206793 6.472238 -10.054935 1 501 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 92.97 12.814819 5.6133175 -11.872105 1 502 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 91.41 10.340314 5.49282 -12.175722 1 503 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 94.14 10.269332 4.43643 -13.113621 1 504 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 97.27 9.070705 4.6131616 -14.0226 1 505 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 96.88 7.919386 3.9439971 -13.429947 1 506 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 97.66 8.646011 6.0641623 -14.274447 1 507 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 96.88 8.550308 6.287836 -15.67248 1 508 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 96.48 7.288928 6.1760693 -13.587294 1 509 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 97.66 6.789154 4.746889 -13.626619 1 510 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 98.05 5.7871757 4.3922157 -12.601479 1 511 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 97.66 4.6595006 3.6439934 -12.965434 1 512 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 97.66 4.5423965 3.2681918 -14.144107 1 513 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 97.66 3.7324562 3.3359275 -12.032759 1 514 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 97.66 3.8956304 3.755056 -10.77836 1 515 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 97.27 2.9540563 3.438394 -9.886148 1 516 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 97.66 5.030249 4.5228853 -10.373354 1 517 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 97.27 5.945139 4.811782 -11.313842 1 518 +ATOM P P . DC B0 2 10 . 10 DC B0 P 94.53 8.351862 7.802558 -16.250975 1 519 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 93.36 8.404108 8.803768 -15.157336 1 520 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 93.36 9.284008 7.9064827 -17.40636 1 521 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 91.41 6.8602276 7.7554593 -16.811558 1 522 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 94.92 6.4558687 6.6378565 -17.583149 1 523 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 97.66 4.953965 6.5635405 -17.630363 1 524 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 97.27 4.4391193 6.0298367 -16.371197 1 525 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 98.05 4.238446 7.908247 -17.839373 1 526 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 97.66 3.292428 7.7819967 -18.883722 1 527 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 97.27 3.5415869 8.143454 -16.511356 1 528 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 98.05 3.2648513 6.714514 -16.07481 1 529 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 98.44 2.9045722 6.576835 -14.652274 1 530 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 98.44 1.7842224 5.815734 -14.326557 1 531 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 98.05 1.1690139 5.233285 -15.225754 1 532 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 98.05 1.3993113 5.7339616 -13.029695 1 533 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 98.05 2.086122 6.3756275 -12.085129 1 534 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 97.66 1.6677411 6.273958 -10.824646 1 535 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 98.05 3.242261 7.159255 -12.3915825 1 536 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 98.05 3.6090674 7.2247696 -13.679371 1 537 +ATOM P P . DT B0 2 11 . 11 DT B0 P 94.53 2.5184386 9.083477 -19.452831 1 538 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 93.75 2.578112 10.206339 -18.479874 1 539 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 93.36 3.0054307 9.273361 -20.836124 1 540 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 91.41 1.008096 8.562557 -19.496492 1 541 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 94.53 0.73955977 7.2415557 -19.942009 1 542 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 98.05 -0.665401 6.827525 -19.534569 1 543 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 97.66 -0.72288 6.645543 -18.08996 1 544 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 98.05 -1.7493986 7.8498993 -19.88141 1 545 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 97.66 -2.8682678 7.150389 -20.417305 1 546 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 97.27 -2.0636063 8.5165 -18.539562 1 547 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 98.05 -1.8017306 7.3837976 -17.553543 1 548 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 98.44 -1.4326134 7.80112 -16.17317 1 549 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 98.44 -2.2067995 7.3581314 -15.117211 1 550 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 98.05 -3.1904025 6.6485386 -15.251395 1 551 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 98.05 -1.787318 7.774502 -13.881506 1 552 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 98.05 -0.6966459 8.572231 -13.598999 1 553 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 98.05 -0.41486195 8.8741 -12.440485 1 554 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 98.44 0.065812156 9.001298 -14.746886 1 555 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 98.05 1.2746799 9.87594 -14.547323 1 556 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 98.05 -0.33015576 8.602911 -15.959305 1 557 +ATOM P P . DT B0 2 12 . 12 DT B0 P 95.7 -4.0366173 7.9537525 -21.15496 1 558 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 94.53 -3.7997313 9.425836 -21.048105 1 559 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 94.53 -4.193527 7.3219748 -22.483414 1 560 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 92.58 -5.3069224 7.5914717 -20.270937 1 561 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 95.7 -5.1162763 7.435503 -18.889507 1 562 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 98.44 -6.3661933 6.9254246 -18.216537 1 563 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 98.05 -6.105929 6.9947596 -16.801897 1 564 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 98.44 -7.625261 7.7707567 -18.431915 1 565 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 98.05 -8.766329 6.9289436 -18.283394 1 566 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 98.05 -7.497532 8.831343 -17.343521 1 567 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 98.44 -6.820195 8.062691 -16.21083 1 568 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 98.83 -5.8618836 8.864264 -15.398352 1 569 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 98.83 -5.9001055 8.733777 -14.028881 1 570 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 98.44 -6.685768 8.002979 -13.453303 1 571 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 98.44 -4.9776173 9.491367 -13.346392 1 572 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 98.44 -4.0446157 10.340092 -13.892065 1 573 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 98.44 -3.2705483 10.962482 -13.176451 1 574 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 98.44 -4.055767 10.427303 -15.333792 1 575 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 98.44 -3.0783691 11.331364 -16.029846 1 576 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 98.44 -4.9529963 9.694988 -16.010715 1 577 +ATOM P P . DT B0 2 13 . 13 DT B0 P 95.7 -10.227228 7.5944986 -18.237785 1 578 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 94.92 -10.200569 8.952033 -18.849363 1 579 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 94.92 -11.124449 6.54181 -18.771362 1 580 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 93.75 -10.538435 7.7622986 -16.68328 1 581 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 95.31 -10.395518 6.6380663 -15.823622 1 582 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 98.05 -10.830975 6.970435 -14.4095955 1 583 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 97.27 -9.8421 7.811221 -13.762674 1 584 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 98.05 -12.163374 7.711871 -14.277678 1 585 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 97.27 -12.867677 7.1096015 -13.198471 1 586 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 97.27 -11.755642 9.156905 -13.971539 1 587 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 98.05 -10.470397 8.943604 -13.183746 1 588 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 98.44 -9.453346 10.037031 -13.198295 1 589 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 98.44 -8.892013 10.413095 -12.000011 1 590 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 97.66 -9.22554 9.945756 -10.920789 1 591 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 97.66 -7.909548 11.360656 -12.098869 1 592 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 98.05 -7.441637 11.957537 -13.249031 1 593 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 98.05 -6.5444803 12.792776 -13.206057 1 594 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 98.05 -8.083504 11.523548 -14.471397 1 595 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 98.05 -7.652845 12.125768 -15.78341 1 596 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 98.05 -9.042806 10.596879 -14.388948 1 597 +ATOM P P . DT B0 2 14 . 14 DT B0 P 94.53 -14.346138 7.6219196 -12.774516 1 598 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 94.14 -14.875353 8.51008 -13.837057 1 599 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 93.75 -15.092437 6.403738 -12.3647585 1 600 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 92.58 -14.092377 8.499205 -11.470211 1 601 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 94.14 -13.445383 7.890293 -10.361649 1 602 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 97.27 -13.219191 8.899753 -9.24931 1 603 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 96.09 -12.185505 9.840565 -9.627581 1 604 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 97.27 -14.434674 9.744421 -8.873669 1 605 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 96.48 -14.547382 9.695539 -7.461279 1 606 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 96.09 -14.098841 11.152845 -9.377541 1 607 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 97.27 -12.5817995 11.149268 -9.262947 1 608 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 98.05 -11.820059 12.088058 -10.128851 1 609 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 98.05 -10.816074 12.837259 -9.56481 1 610 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 97.66 -10.534081 12.809611 -8.37767 1 611 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 97.66 -10.126851 13.628485 -10.4361725 1 612 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 97.27 -10.349026 13.741867 -11.791737 1 613 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 97.27 -9.661811 14.48621 -12.485317 1 614 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 97.66 -11.42319 12.933414 -12.317091 1 615 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 97.27 -11.747358 12.990385 -13.782515 1 616 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 97.66 -12.098555 12.155503 -11.471501 1 617 +ATOM P P . DA B0 2 15 . 15 DA B0 P 93.75 -15.71279 10.43014 -6.6694098 1 618 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 92.97 -16.726292 10.9563265 -7.620862 1 619 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 92.19 -16.109837 9.490833 -5.5848093 1 620 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 90.62 -14.9766655 11.679361 -6.0145483 1 621 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 92.58 -13.722029 11.499184 -5.3930902 1 622 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 95.7 -13.214985 12.810831 -4.8378553 1 623 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 95.31 -12.518366 13.546942 -5.8721523 1 624 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 95.7 -14.286012 13.748377 -4.2922745 1 625 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 94.92 -13.84277 14.209648 -3.0260873 1 626 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 94.14 -14.373415 14.860264 -5.350416 1 627 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 95.7 -12.961524 14.884427 -5.907404 1 628 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 96.48 -12.809458 15.334642 -7.2859325 1 629 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 96.88 -13.54682 14.950074 -8.372961 1 630 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 96.48 -13.149777 15.487819 -9.5020075 1 631 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 96.88 -12.07114 16.284912 -9.133646 1 632 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 96.48 -11.210115 17.113949 -9.877317 1 633 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 96.48 -11.301603 17.288065 -11.190271 1 634 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 96.48 -10.238932 17.774452 -9.200172 1 635 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 96.48 -10.1484165 17.599165 -7.881757 1 636 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 96.48 -10.897445 16.836124 -7.07625 1 637 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 96.88 -11.854644 16.19777 -7.772458 1 638 +ATOM P P . DT B0 2 16 . 16 DT B0 P 93.75 -14.60962 15.292212 -2.1609938 1 639 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 94.14 -15.98134 15.474043 -2.7085092 1 640 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 93.75 -14.428226 14.952262 -0.7275958 1 641 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 92.19 -13.786289 16.617554 -2.475595 1 642 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 92.97 -12.365288 16.600285 -2.3987353 1 643 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 95.31 -11.81921 17.983534 -2.6474237 1 644 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 94.92 -11.701326 18.216305 -4.081974 1 645 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 95.31 -12.684495 19.115467 -2.1052203 1 646 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 94.53 -11.846856 20.113579 -1.5480924 1 647 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 94.14 -13.396307 19.64505 -3.3542771 1 648 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 95.7 -12.30724 19.451488 -4.3969145 1 649 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 96.48 -12.736777 19.410896 -5.809964 1 650 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 96.09 -11.93737 20.032494 -6.74304 1 651 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 95.7 -10.899126 20.608795 -6.4604893 1 652 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 96.09 -12.381465 19.952929 -8.034646 1 653 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 95.7 -13.528742 19.315176 -8.472019 1 654 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 95.31 -13.820814 19.308205 -9.663916 1 655 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 96.09 -14.3301 18.680618 -7.4399204 1 656 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 95.31 -15.607388 17.968094 -7.806782 1 657 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 95.7 -13.895691 18.761784 -6.1736126 1 658 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 90.23 20.235332 -8.744159 7.305189 1 659 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 91.8 19.463724 -9.358966 6.217367 1 660 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 93.36 18.927784 -10.7427635 6.519411 1 661 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 91.8 18.517319 -11.454042 5.5972767 1 662 +ATOM N N . SER C0 3 2 . 2 SER C0 N 91.02 18.903664 -11.096357 7.79447 1 663 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 92.19 18.46936 -12.432296 8.19525 1 664 +ATOM C C . SER C0 3 2 . 2 SER C0 C 92.97 17.027151 -12.473032 8.695513 1 665 +ATOM O O . SER C0 3 2 . 2 SER C0 O 91.41 16.47242 -13.557024 8.860722 1 666 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 90.62 19.410141 -12.997564 9.265989 1 667 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 89.84 19.393063 -12.212847 10.438459 1 668 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 88.28 16.432701 -11.304684 8.925715 1 669 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 91.8 15.050627 -11.246399 9.391487 1 670 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 93.36 14.084904 -11.017189 8.228323 1 671 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 91.41 14.395361 -10.298295 7.271372 1 672 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 89.45 14.874834 -10.157408 10.455145 1 673 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 89.06 15.659615 -10.419036 11.746685 1 674 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 87.89 14.990696 -9.767397 12.968292 1 675 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 86.72 14.079149 -10.735365 13.668908 1 676 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 85.55 13.47514 -10.150049 14.896549 1 677 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 89.06 12.930306 -11.649933 8.305976 1 678 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 91.8 11.87244 -11.454659 7.3240075 1 679 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 92.97 11.536571 -9.972757 7.233383 1 680 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 91.02 11.436723 -9.29203 8.249506 1 681 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 89.06 10.630154 -12.253127 7.734564 1 682 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 88.67 9.445091 -12.046944 6.8081856 1 683 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 87.5 8.14642 -12.606847 7.424054 1 684 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 85.94 8.051328 -14.104551 7.257721 1 685 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 85.16 6.7315226 -14.616657 7.6763287 1 686 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 88.67 11.391246 -9.474919 6.0173798 1 687 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 92.97 11.137242 -8.049591 5.8095675 1 688 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 94.53 9.738461 -7.673299 6.284137 1 689 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 92.58 8.749632 -8.304352 5.8919106 1 690 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 89.84 11.318659 -7.7008815 4.3219995 1 691 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 89.45 11.433492 -6.212064 4.0388527 1 692 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 88.28 11.220545 -5.906812 2.5303993 1 693 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 87.11 12.363995 -6.394197 1.6473174 1 694 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 86.33 13.622848 -5.623964 1.8610475 1 695 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 91.02 9.657259 -6.6415167 7.1270576 1 696 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 94.53 8.392191 -6.173005 7.6793523 1 697 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 96.09 7.4309254 -5.7223516 6.574583 1 698 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 94.53 7.8567433 -5.1521206 5.5651183 1 699 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 91.8 8.615459 -5.0315843 8.711067 1 700 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 89.84 7.338808 -4.745306 9.499603 1 701 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 89.84 9.136982 -3.7765174 8.016298 1 702 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 87.5 7.534088 -3.7822075 10.677372 1 703 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 92.97 6.1473494 -5.999102 6.773205 1 704 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 93.75 5.1491323 -5.582942 5.793784 1 705 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 94.53 4.6345644 -4.190483 6.125985 1 706 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 93.36 4.647202 -3.7773046 7.297186 1 707 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 92.97 3.986835 -6.586528 5.7660737 1 708 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 92.19 4.4684877 -7.997044 5.8536806 1 709 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 91.02 3.6354742 -9.116731 5.234387 1 710 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 90.62 2.544114 -8.705871 4.3705564 1 711 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 90.62 1.7428168 -9.553172 3.756862 1 712 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 89.06 1.9024539 -10.851933 3.9111233 1 713 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 88.67 0.7764467 -9.083601 2.9790995 1 714 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 94.92 4.163399 -3.4780142 5.1083007 1 715 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 94.53 3.6883135 -2.10813 5.280608 1 716 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 94.92 2.587959 -2.0007381 6.3343954 1 717 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 94.14 2.6339612 -1.1119485 7.1959 1 718 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 94.53 3.2075834 -1.5319633 3.9389913 1 719 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 94.14 2.6023417 -0.117679924 3.9833374 1 720 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 93.75 2.0833344 0.27257323 2.6014917 1 721 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 93.36 3.6072197 0.90436435 4.4839187 1 722 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 95.31 1.592145 -2.8845868 6.288224 1 723 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 94.14 0.48662525 -2.7905574 7.242034 1 724 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 94.14 0.9606947 -2.9480772 8.683684 1 725 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 92.97 0.42481908 -2.301302 9.591887 1 726 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 92.97 -0.64666176 -3.7795992 6.902604 1 727 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 91.8 -0.35980743 -5.2372484 7.1763935 1 728 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 90.62 -0.042566504 -6.1137137 6.155597 1 729 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 90.23 -0.4394468 -5.7456293 8.476063 1 730 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 89.06 0.1999009 -7.455784 6.4005976 1 731 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 89.06 -0.19588786 -7.0841894 8.72892 1 732 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 89.06 0.1278806 -7.9255 7.6871014 1 733 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 89.06 0.36624968 -9.262789 7.9372625 1 734 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 94.53 1.9870229 -3.78078 8.907024 1 735 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 94.14 2.5376158 -3.95878 10.251226 1 736 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 94.53 3.2854238 -2.717502 10.704517 1 737 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 93.75 3.1927824 -2.3162813 11.864058 1 738 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 93.75 3.4512575 -5.1725225 10.316522 1 739 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 91.02 2.7746754 -6.426284 10.840077 1 740 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 90.23 2.1748881 -6.242518 12.226621 1 741 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 89.06 2.6335125 -5.461777 13.062826 1 742 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 88.67 1.093848 -6.966451 12.501465 1 743 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 94.92 4.0397186 -2.1044886 9.785499 1 744 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 94.92 4.7630205 -0.8694625 10.06241 1 745 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 94.53 3.7979429 0.22319548 10.527369 1 746 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 93.75 4.04541 0.90329707 11.525934 1 747 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 93.75 5.512784 -0.41626662 8.809984 1 748 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 94.53 6.141924 0.95052385 8.902246 1 749 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 94.14 5.5462403 2.0424957 8.287904 1 750 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 94.92 7.337325 1.1391962 9.581575 1 751 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 94.53 6.127182 3.2992382 8.357864 1 752 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 94.14 7.9220343 2.3909311 9.655643 1 753 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 94.14 7.318224 3.4796543 9.042616 1 754 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 95.7 2.6763353 0.35675782 9.831827 1 755 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 95.31 1.6798707 1.3774548 10.164766 1 756 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 94.92 0.97035235 1.0756094 11.481394 1 757 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 94.53 0.80279803 1.966593 12.316998 1 758 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 95.31 0.6578586 1.5141581 9.029114 1 759 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 95.31 1.2271249 1.9533743 7.6708975 1 760 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 93.75 0.1333137 1.9155874 6.6059885 1 761 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 94.14 1.8343174 3.3453598 7.77017 1 762 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 95.7 0.5646599 -0.16828778 11.661534 1 763 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 95.31 -0.10545412 -0.57007456 12.900123 1 764 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 94.92 0.81394756 -0.36340883 14.098412 1 765 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 94.92 0.3828929 0.13486876 15.142627 1 766 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 94.92 -0.5604197 -2.0319023 12.81243 1 767 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 94.53 -1.3218689 -2.5789566 14.022692 1 768 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 92.97 -1.6847217 -4.0448794 13.790892 1 769 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 93.36 -2.5756166 -1.7560451 14.304857 1 770 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 95.31 2.0871837 -0.72262913 13.942703 1 771 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 94.53 3.070661 -0.5266198 15.003521 1 772 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 94.14 3.1904826 0.9456368 15.391735 1 773 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 92.97 3.247066 1.2754625 16.573366 1 774 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 93.75 4.448156 -1.0597038 14.576957 1 775 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 93.36 4.5116973 -2.578295 14.5065975 1 776 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 92.58 3.5332866 -3.2473576 14.913729 1 777 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 92.19 5.5406904 -3.1188042 14.041773 1 778 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 96.09 3.2205067 1.827677 14.394763 1 779 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 95.31 3.2881107 3.263612 14.65773 1 780 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 95.31 2.0784106 3.7469263 15.453711 1 781 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 94.14 2.2210424 4.500757 16.422512 1 782 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 95.7 3.3578205 4.065445 13.351019 1 783 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 95.31 4.6821175 4.185932 12.601661 1 784 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 94.14 4.5952897 5.373396 11.648759 1 785 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 94.53 5.8481035 4.3785467 13.558309 1 786 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 96.09 0.9026803 3.3150878 15.01997 1 787 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 95.31 -0.33237 3.7337537 15.675944 1 788 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 94.53 -0.40301707 3.2574406 17.12259 1 789 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 93.75 -0.87322235 3.9891562 17.994032 1 790 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 95.31 -1.5433941 3.2409499 14.877966 1 791 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 95.7 -1.8482265 4.0606236 13.611589 1 792 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 94.14 -2.7011302 3.2655368 12.6421585 1 793 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 94.92 -2.5175345 5.3783607 13.966427 1 794 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 95.7 0.07945642 2.0507972 17.37415 1 795 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 94.53 0.04114413 1.4927455 18.713093 1 796 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 92.97 1.1634471 2.037334 19.604671 1 797 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 91.02 1.0029434 2.093233 20.826458 1 798 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 94.14 0.076967955 -0.04117711 18.655237 1 799 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 93.36 -1.2240458 -0.62012535 18.140182 1 800 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 93.36 -1.2167338 -2.1396928 18.063248 1 801 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 93.75 -2.540588 -2.6399286 17.696598 1 802 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 92.97 -2.8436823 -3.9190772 17.47427 1 803 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 92.19 -1.8943596 -4.8471584 17.588154 1 804 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 92.19 -4.0768633 -4.2684865 17.137083 1 805 +ATOM N N . SER C0 3 18 . 18 SER C0 N 95.7 2.2726378 2.4361708 18.998863 1 806 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 94.92 3.3876526 3.0454855 19.739922 1 807 +ATOM C C . SER C0 3 18 . 18 SER C0 C 93.75 3.0786264 4.493092 20.097805 1 808 +ATOM O O . SER C0 3 18 . 18 SER C0 O 91.41 3.3906639 4.9470835 21.198462 1 809 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 93.75 4.6758814 3.020945 18.916094 1 810 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 92.97 4.838526 1.8046029 18.248154 1 811 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 94.53 2.5036774 5.2069864 19.161875 1 812 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 94.53 2.1837382 6.6168427 19.342342 1 813 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 94.92 3.1776507 7.559847 18.681374 1 814 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 92.97 3.0402677 8.778494 18.797659 1 815 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 92.97 4.1925206 7.046847 17.998337 1 816 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 93.75 5.141948 7.8875427 17.276318 1 817 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 94.53 4.4862876 8.407755 15.99938 1 818 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 93.36 3.530127 7.7986827 15.492708 1 819 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 92.19 6.4147406 7.1027193 16.94942 1 820 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 92.19 7.61001 7.998238 16.674824 1 821 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 91.41 7.544995 9.216698 16.985394 1 822 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 91.02 8.633155 7.503499 16.152512 1 823 +ATOM N N . MET C0 3 21 . 21 MET C0 N 93.75 4.977071 9.512705 15.493348 1 824 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 94.53 4.4865894 10.141955 14.261571 1 825 +ATOM C C . MET C0 3 21 . 21 MET C0 C 94.92 3.0019288 10.507276 14.319239 1 826 +ATOM O O . MET C0 3 21 . 21 MET C0 O 94.14 2.2775795 10.362124 13.334162 1 827 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 93.36 4.7647696 9.245607 13.050043 1 828 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 92.97 6.1917486 8.743393 12.979847 1 829 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 93.75 6.772829 8.430511 11.29137 1 830 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 90.62 7.017128 10.109686 10.72098 1 831 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 93.75 2.5525734 11.027988 15.483847 1 832 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 93.75 1.1572301 11.447128 15.626859 1 833 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 93.36 0.8321738 12.648489 14.750252 1 834 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 92.58 -0.3288926 12.936871 14.493178 1 835 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 93.36 0.8382507 11.771779 17.098919 1 836 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 92.97 0.86721015 10.562963 18.014154 1 837 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 92.19 0.31548816 10.936142 19.393257 1 838 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 91.8 0.7374542 9.959902 20.474495 1 839 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 90.23 -0.1810542 8.776224 20.551647 1 840 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 93.75 1.879354 13.368292 14.3150425 1 841 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 94.14 1.6992524 14.463651 13.366981 1 842 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 94.14 1.3309888 13.935732 11.983955 1 843 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 92.97 0.7440884 14.655506 11.178049 1 844 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 93.36 2.9786553 15.301474 13.249354 1 845 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 92.97 3.2805324 16.098103 14.49884 1 846 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 92.58 2.4371502 16.938723 14.881001 1 847 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 92.19 4.3547945 15.882624 15.099791 1 848 +ATOM N N . SER C0 3 24 . 24 SER C0 N 94.92 1.7201669 12.6947155 11.719414 1 849 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 94.53 1.5790181 12.096431 10.390567 1 850 +ATOM C C . SER C0 3 24 . 24 SER C0 C 95.31 0.4055752 11.122326 10.259415 1 851 +ATOM O O . SER C0 3 24 . 24 SER C0 O 94.14 -0.20906334 11.04682 9.193328 1 852 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 93.75 2.86441 11.354064 10.010889 1 853 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 92.58 4.0023975 12.2006035 10.116138 1 854 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 94.92 0.10429846 10.376402 11.329815 1 855 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 94.53 -0.92283756 9.3517 11.28195 1 856 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 94.53 -1.5835607 9.187353 12.654318 1 857 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 93.75 -0.911414 9.273155 13.687596 1 858 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 94.14 -0.3420984 8.004023 10.779762 1 859 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 92.19 -1.4484142 6.971714 10.542522 1 860 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 92.97 0.71210206 7.4629564 11.745201 1 861 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 90.62 -0.95860755 5.6872416 9.869198 1 862 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 95.7 -2.875444 8.958539 12.66873 1 863 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 94.53 -3.6228328 8.822798 13.931726 1 864 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 94.53 -4.8511763 7.9488683 13.724457 1 865 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 92.97 -5.325151 7.7470903 12.603111 1 866 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 93.36 -4.067589 10.1958065 14.45145 1 867 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 94.14 -4.769826 11.023639 13.407839 1 868 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 91.8 -6.0733495 10.964146 13.035949 1 869 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 94.14 -4.182066 12.024788 12.574151 1 870 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 92.19 -6.332059 11.862129 12.030176 1 871 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 94.14 -5.1842165 12.527133 11.728248 1 872 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 91.8 -2.8950195 12.559654 12.468311 1 873 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 93.36 -4.9557495 13.528167 10.785561 1 874 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 91.8 -2.657208 13.552834 11.536868 1 875 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 91.41 -3.6763523 14.03079 10.694777 1 876 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 95.31 -5.3888574 7.4268847 14.853468 1 877 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 94.14 -6.636468 6.68551 14.806742 1 878 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 93.75 -7.8045692 7.6510134 14.639618 1 879 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 92.58 -7.898379 8.654595 15.3522215 1 880 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 93.36 -6.859516 5.8959303 16.105572 1 881 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 94.53 -5.926347 4.752901 16.355713 1 882 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 92.97 -4.9998245 4.657528 17.346579 1 883 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 94.53 -5.8490906 3.518769 15.620992 1 884 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 92.97 -4.345159 3.451331 17.289116 1 885 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 94.53 -4.845157 2.7278538 16.231548 1 886 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 93.36 -6.5267534 3.004879 14.505952 1 887 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 94.14 -4.505977 1.45631 15.77141 1 888 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 92.97 -6.186195 1.737094 14.045755 1 889 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 92.58 -5.1791925 0.98199177 14.674618 1 890 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 96.09 -8.705121 7.3293777 13.712391 1 891 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 95.31 -9.956454 8.069908 13.555922 1 892 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 94.53 -11.033719 7.3809676 14.398642 1 893 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 93.75 -11.817657 8.036966 15.0721 1 894 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 94.53 -10.384613 8.139744 12.072937 1 895 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 92.58 -11.814822 8.66833 11.954891 1 896 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 92.97 -9.426958 9.027848 11.282909 1 897 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 94.53 -11.011254 6.0508995 14.354828 1 898 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 94.53 -11.8972845 5.221575 15.170872 1 899 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 94.14 -11.097395 3.9794521 15.551895 1 900 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 93.36 -11.002178 3.033524 14.774406 1 901 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 94.14 -13.150813 4.8533278 14.378381 1 902 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 95.31 -14.189365 4.1107025 15.211432 1 903 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 94.14 -13.820624 3.4916663 16.231583 1 904 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 94.14 -15.381542 4.1337595 14.828966 1 905 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 94.92 -10.514751 4.019866 16.747616 1 906 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 95.31 -9.589814 2.9929998 17.193651 1 907 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 95.31 -10.218251 1.6062127 17.264622 1 908 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 94.53 -9.611396 0.61746734 16.854042 1 909 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 94.92 -9.010452 3.3778317 18.552544 1 910 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 93.75 -7.855504 2.5264158 19.016155 1 911 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 93.36 -7.348531 3.041835 20.35062 1 912 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 92.58 -6.195273 2.2058578 20.87314 1 913 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 91.41 -5.731882 2.7222881 22.180775 1 914 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 94.53 -11.427662 1.5508475 17.774439 1 915 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 93.75 -12.127505 0.2837345 17.930477 1 916 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 92.58 -12.466297 -0.36523634 16.590519 1 917 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 90.62 -12.537847 -1.5832376 16.485897 1 918 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 93.36 -13.410656 0.4737016 18.7526 1 919 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 93.75 -13.135377 1.0216155 20.137978 1 920 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 92.19 -12.345697 0.39703697 20.882298 1 921 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 92.58 -13.689971 2.0893881 20.474934 1 922 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 94.14 -12.661831 0.46791258 15.57999 1 923 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 94.92 -12.99865 -0.016143063 14.248344 1 924 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 95.31 -11.752889 -0.2190195 13.3743725 1 925 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 94.53 -11.828299 -0.83169436 12.303313 1 926 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 94.53 -13.968962 0.9490347 13.571748 1 927 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 94.14 -14.733894 0.32927102 12.414289 1 928 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 93.36 -15.899871 1.2150462 11.988651 1 929 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 92.97 -16.786112 0.50230074 10.974577 1 930 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 91.02 -17.284817 -0.80595756 11.489979 1 931 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 94.53 -10.617088 0.29213402 13.829548 1 932 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 95.31 -9.373139 0.17285061 13.080514 1 933 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 96.09 -9.219624 1.2041754 11.97545 1 934 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 94.92 -8.443292 1.0016975 11.039296 1 935 +ATOM N N . THR C0 3 34 . 34 THR C0 N 95.7 -9.941729 2.313411 12.094139 1 936 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 95.31 -9.8966675 3.3619213 11.081564 1 937 +ATOM C C . THR C0 3 34 . 34 THR C0 C 95.31 -8.821351 4.3877926 11.426557 1 938 +ATOM O O . THR C0 3 34 . 34 THR C0 O 94.53 -8.776262 4.884181 12.551003 1 939 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 94.92 -11.256561 4.0729504 10.950135 1 940 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 92.58 -12.281755 3.0884886 10.763723 1 941 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 92.97 -11.260274 5.02627 9.764463 1 942 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 95.7 -7.9439297 4.670942 10.465628 1 943 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 94.53 -6.8483934 5.6111984 10.686914 1 944 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 94.53 -6.720502 6.585761 9.525663 1 945 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 92.58 -7.2716565 6.370387 8.449166 1 946 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 93.36 -5.5248256 4.857743 10.9139805 1 947 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 95.31 -5.104392 3.9901133 9.751993 1 948 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 94.92 -5.6511908 2.7239985 9.574571 1 949 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 94.92 -4.1394825 4.4256563 8.848522 1 950 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 94.53 -5.2537117 1.9147094 8.5077915 1 951 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 94.53 -3.735422 3.620131 7.7846794 1 952 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 94.53 -4.297324 2.3679924 7.618613 1 953 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 95.31 -6.0180573 7.691303 9.7645035 1 954 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 94.92 -5.9234686 8.7475605 8.765481 1 955 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 94.92 -4.538478 9.382837 8.726146 1 956 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 92.97 -3.8888865 9.538255 9.761548 1 957 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 93.36 -6.967672 9.823929 9.050409 1 958 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 92.58 -7.0376215 10.932666 8.009378 1 959 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 96.48 -8.241516 11.843988 8.194323 1 960 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 91.02 -9.177064 11.851456 7.3915 1 961 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 91.41 -8.235183 12.597948 9.279003 1 962 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 95.31 -4.0886364 9.731796 7.520282 1 963 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 94.92 -2.8208039 10.418981 7.3311267 1 964 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 94.14 -3.0163488 11.931683 7.3243933 1 965 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 92.58 -4.051147 12.4238 6.8824854 1 966 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 93.36 -2.1714027 10.010805 6.00268 1 967 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 95.31 -1.7564404 8.567539 5.9275055 1 968 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 95.31 -2.5208628 7.6527987 5.216501 1 969 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 95.31 -0.607017 8.129638 6.5666304 1 970 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 94.53 -2.1506014 6.3149548 5.1419163 1 971 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 94.92 -0.22425506 6.7941556 6.498227 1 972 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 94.53 -0.9914162 5.8889294 5.7891726 1 973 +ATOM N N . SER C0 3 38 . 38 SER C0 N 94.14 -2.0147085 12.658254 7.7967253 1 974 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 94.14 -2.0154457 14.117947 7.730475 1 975 +ATOM C C . SER C0 3 38 . 38 SER C0 C 94.53 -1.6428123 14.581234 6.3160634 1 976 +ATOM O O . SER C0 3 38 . 38 SER C0 O 92.97 -0.7454456 14.014767 5.694655 1 977 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 93.36 -1.0160488 14.689474 8.732395 1 978 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 92.58 -0.64936084 16.012968 8.406181 1 979 +ATOM N N . SER C0 3 39 . 39 SER C0 N 94.14 -2.3013182 15.603783 5.8222237 1 980 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 93.75 -1.9522631 16.184538 4.5213695 1 981 +ATOM C C . SER C0 3 39 . 39 SER C0 C 94.14 -0.5249659 16.730541 4.522266 1 982 +ATOM O O . SER C0 3 39 . 39 SER C0 O 92.58 0.23667264 16.49044 3.584922 1 983 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 93.36 -2.924252 17.30967 4.156584 1 984 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 91.8 -4.2104774 16.779816 3.8345351 1 985 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 93.75 -0.15960112 17.445683 5.5844874 1 986 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 92.97 1.1380222 18.11901 5.650891 1 987 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 92.58 2.2998066 17.203506 6.020821 1 988 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 92.19 3.4349031 17.473713 5.6314793 1 989 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 93.36 1.0751829 19.301723 6.622754 1 990 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 93.36 0.1881882 20.439064 6.1308117 1 991 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 93.36 0.39591455 21.716831 6.9174156 1 992 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 93.36 -0.5291567 22.80623 6.400125 1 993 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 92.19 -0.08869551 24.169563 6.8042965 1 994 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 93.75 2.0445528 16.153673 6.7737613 1 995 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 92.97 3.138668 15.352336 7.3103657 1 996 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 92.97 3.2002313 13.903286 6.816063 1 997 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 92.19 4.0008755 13.117613 7.309716 1 998 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 92.19 3.1018584 15.385031 8.8459215 1 999 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 92.58 3.1446743 16.780355 9.395651 1 1000 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 91.02 2.0248897 17.42775 9.868265 1 1001 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 91.41 4.15809 17.660728 9.5332985 1 1002 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 91.41 2.352673 18.653273 10.26606 1 1003 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 92.19 3.6562026 18.813408 10.066367 1 1004 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 94.14 2.3786476 13.566017 5.8330154 1 1005 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 94.14 2.354543 12.203516 5.3105664 1 1006 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 94.14 3.652072 11.803078 4.6101465 1 1007 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 92.97 4.041109 10.633652 4.6542463 1 1008 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 93.36 1.1632288 11.999529 4.3653874 1 1009 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 93.36 1.146714 12.91012 3.1566215 1 1010 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 93.36 -0.14064538 12.706047 2.3595953 1 1011 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 93.75 -0.2029522 13.542646 1.0839853 1 1012 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 92.58 -0.36297926 14.969933 1.3659911 1 1013 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 94.92 4.332283 12.747686 3.9925551 1 1014 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 94.14 5.5784397 12.450321 3.3008163 1 1015 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 94.14 6.687791 12.032951 4.2570686 1 1016 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 93.75 7.520673 11.190975 3.9085927 1 1017 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 93.75 6.035638 13.643739 2.4500408 1 1018 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 92.19 5.07199 14.047571 1.3269022 1 1019 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 93.36 4.9253054 12.992329 0.23468089 1 1020 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 91.02 4.00438 13.134008 -0.6015877 1 1021 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 92.19 5.7198668 12.019981 0.21600214 1 1022 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 94.92 6.6981106 12.605022 5.4546475 1 1023 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 94.53 7.692639 12.234081 6.4628606 1 1024 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 94.92 7.5515857 10.758266 6.8405066 1 1025 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 94.53 8.539915 10.027519 6.936441 1 1026 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 94.53 7.550198 13.1059065 7.7020283 1 1027 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 95.7 6.3183727 10.328826 7.0336514 1 1028 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 95.7 6.050723 8.936348 7.3662477 1 1029 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 96.09 6.4294376 8.009796 6.210414 1 1030 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 95.7 7.044732 6.969324 6.4243793 1 1031 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 95.7 4.577599 8.757221 7.7430825 1 1032 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 94.53 4.1651053 7.389487 8.288988 1 1033 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 92.19 2.9938655 7.543559 9.251825 1 1034 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 93.75 3.8232832 6.4031277 7.1902637 1 1035 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 94.92 6.0681276 8.406357 4.9887323 1 1036 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 94.53 6.388303 7.6062355 3.813474 1 1037 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 94.53 7.899686 7.459415 3.6474411 1 1038 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 94.14 8.397201 6.379674 3.3261108 1 1039 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 94.14 5.773733 8.232338 2.5628695 1 1040 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 94.53 8.62493 8.535466 3.87884 1 1041 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 93.36 10.078464 8.507819 3.7727091 1 1042 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 93.36 10.687589 7.5475564 4.795933 1 1043 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 92.97 11.60011 6.789951 4.468867 1 1044 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 92.97 10.654345 9.923215 3.9446337 1 1045 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 94.14 12.121398 9.998052 3.6130095 1 1046 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 90.62 12.926079 11.048712 4.0288296 1 1047 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 90.23 12.929215 9.177969 2.9085133 1 1048 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 90.62 14.158337 10.854595 3.5894856 1 1049 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 91.41 14.196712 9.722593 2.9128072 1 1050 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 95.31 10.167119 7.5495777 6.016907 1 1051 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 94.92 10.649525 6.615842 7.0246763 1 1052 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 94.53 10.410261 5.1738596 6.5835085 1 1053 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 94.14 11.257061 4.3093176 6.7919827 1 1054 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 94.53 9.97461 6.863614 8.375759 1 1055 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 93.36 10.312859 5.7633 9.384677 1 1056 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 93.75 9.576255 5.918207 10.688696 1 1057 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 93.36 10.214308 6.87088 11.570223 1 1058 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 92.97 9.809899 7.1208334 12.804 1 1059 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 91.8 10.464609 8.011055 13.533426 1 1060 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 91.8 8.780985 6.469549 13.322687 1 1061 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 94.92 9.263532 4.9265184 5.991631 1 1062 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 94.53 8.956039 3.591169 5.475054 1 1063 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 94.14 10.014805 3.1808472 4.450498 1 1064 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 93.36 10.504171 2.0468063 4.4832077 1 1065 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 92.58 7.5577087 3.5737498 4.85625 1 1066 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 94.92 7.195245 2.3183858 4.1085443 1 1067 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 95.7 6.739546 2.2369728 2.8225713 1 1068 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 96.88 7.2551155 0.96457034 4.5809393 1 1069 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 96.88 6.501112 0.9370828 2.4735303 1 1070 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 97.27 6.811157 0.12568536 3.5368829 1 1071 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 96.48 7.638953 0.37986356 5.7896285 1 1072 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 96.88 6.7407417 -1.262037 3.6615224 1 1073 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 96.88 7.56703 -1.0101178 5.913952 1 1074 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 96.48 7.118947 -1.8012862 4.851135 1 1075 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 94.14 10.380495 4.0899935 3.5510898 1 1076 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 93.75 11.397116 3.8022604 2.5466938 1 1077 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 93.36 12.760366 3.5141258 3.1488626 1 1078 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 92.97 13.456888 2.5968742 2.707398 1 1079 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 96.48 13.151143 4.28058 4.1544523 1 1080 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 95.31 14.429218 4.073933 4.842956 1 1081 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 94.53 14.469161 2.6772785 5.4581385 1 1082 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 92.97 15.444174 1.9490671 5.3039894 1 1083 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 94.92 14.643862 5.140009 5.940508 1 1084 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 93.36 14.78804 6.5329447 5.316971 1 1085 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 92.19 15.887955 4.797341 6.7721877 1 1086 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 91.8 14.670137 7.66673 6.3331194 1 1087 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 94.92 13.392231 2.3147745 6.139226 1 1088 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 94.53 13.3023615 1.0177985 6.7879686 1 1089 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 94.14 13.431105 -0.14095035 5.798196 1 1090 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 92.19 14.102306 -1.1266358 6.080055 1 1091 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 93.75 11.988876 0.907302 7.554424 1 1092 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 92.97 11.812344 -0.43339014 8.239987 1 1093 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 93.36 10.85684 -0.35922992 9.414234 1 1094 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 91.8 10.540215 0.72818273 9.914629 1 1095 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 91.02 10.390322 -1.5122638 9.8692045 1 1096 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 95.31 12.783048 -0.02157357 4.65057 1 1097 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 94.53 12.827635 -1.0739045 3.6290889 1 1098 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 92.58 14.149192 -1.0903671 2.849956 1 1099 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 89.06 14.430114 -2.0675826 2.140089 1 1100 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 93.75 11.667353 -0.9214288 2.657146 1 1101 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 93.36 10.289207 -1.2388673 3.2410827 1 1102 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 92.97 10.0756645 -2.7431145 3.4615755 1 1103 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 93.75 10.126297 -3.5700262 2.175951 1 1104 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 93.75 8.818366 -3.5874028 1.5146258 1 1105 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 94.14 14.946594 -0.05433239 2.9707003 1 1106 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 93.36 16.200186 0.030786566 2.229006 1 1107 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 92.97 15.998009 0.17767897 0.73335946 1 1108 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 90.62 16.785316 -0.3541324 -0.047610734 1 1109 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 93.75 14.940463 0.8799769 0.3407477 1 1110 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 92.97 14.665026 1.1196468 -1.0691133 1 1111 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 91.8 15.769287 1.971089 -1.6798742 1 1112 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 89.84 16.364273 2.801117 -0.99385667 1 1113 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 92.58 13.317694 1.8309069 -1.2525772 1 1114 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 93.75 12.139987 0.9859779 -0.8168726 1 1115 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 89.45 11.073307 1.5122677 -0.47208565 1 1116 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 90.23 12.299855 -0.33342534 -0.82660556 1 1117 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 93.75 16.052036 1.7426243 -2.9793944 1 1118 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 93.75 17.111393 2.5281668 -3.6193285 1 1119 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 93.75 16.667465 3.961577 -3.872178 1 1120 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 92.58 17.463886 4.892065 -3.772739 1 1121 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 92.97 17.596687 1.8499815 -4.9104624 1 1122 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 92.97 16.914452 2.2828684 -6.1896353 1 1123 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 92.58 17.536757 1.5668142 -7.4201984 1 1124 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 92.58 18.996834 1.55139 -7.4087205 1 1125 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 92.19 19.797401 2.3848066 -8.092427 1 1126 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 90.62 21.107159 2.3038085 -7.988145 1 1127 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 90.62 19.262365 3.3269606 -8.865374 1 1128 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 92.97 15.386801 4.135056 -4.182772 1 1129 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 93.75 14.826243 5.4721437 -4.3912554 1 1130 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 93.75 14.036786 5.931262 -3.1764212 1 1131 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 92.58 13.666594 5.1263723 -2.3224201 1 1132 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 92.58 13.932145 5.499528 -5.632949 1 1133 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 92.97 14.670038 5.302088 -6.9433756 1 1134 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 92.97 13.808764 5.72748 -8.138214 1 1135 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 92.58 13.754992 7.2345486 -8.267155 1 1136 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 91.41 13.1528225 7.682513 -9.555403 1 1137 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 93.75 13.766951 7.210399 -3.0990024 1 1138 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 94.14 13.013964 7.7880983 -1.9983008 1 1139 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 93.75 11.544193 7.382518 -2.0693507 1 1140 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 93.36 10.940426 7.3990917 -3.1431603 1 1141 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 93.75 13.134127 9.31175 -2.010026 1 1142 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 93.75 12.576386 9.978128 -0.76615417 1 1143 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 93.75 12.686122 11.497398 -0.8555422 1 1144 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 92.97 12.009981 12.159 0.3338603 1 1145 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 91.8 12.0202675 13.641331 0.23784143 1 1146 +ATOM N N . MET C0 3 59 . 59 MET C0 N 93.36 10.985967 7.012347 -0.9081702 1 1147 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 93.75 9.574631 6.6375017 -0.8280698 1 1148 +ATOM C C . MET C0 3 59 . 59 MET C0 C 94.14 8.719185 7.886691 -0.6797754 1 1149 +ATOM O O . MET C0 3 59 . 59 MET C0 O 93.36 9.068506 8.802933 0.07356031 1 1150 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 92.58 9.346293 5.690465 0.35715532 1 1151 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 92.19 7.8812313 5.282999 0.57715005 1 1152 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 94.14 7.12582 4.4128265 -0.82064384 1 1153 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 89.06 8.150198 2.931448 -0.8945753 1 1154 +ATOM N N . THR C0 3 60 . 60 THR C0 N 93.75 7.616542 7.936029 -1.4144084 1 1155 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 92.58 6.676614 9.048454 -1.343189 1 1156 +ATOM C C . THR C0 3 60 . 60 THR C0 C 92.97 5.331713 8.519781 -0.85149324 1 1157 +ATOM O O . THR C0 3 60 . 60 THR C0 O 92.58 5.06868 7.319227 -0.90814316 1 1158 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 92.58 6.4579277 9.701565 -2.7214727 1 1159 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 91.8 5.8901653 8.72557 -3.6071565 1 1160 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 92.97 7.7747645 10.212181 -3.3010192 1 1161 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 94.14 4.4716315 9.418185 -0.38454622 1 1162 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 93.36 3.1394155 8.993725 0.028490203 1 1163 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 93.36 2.3861623 8.348533 -1.1436414 1 1164 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 91.8 1.6795031 7.3538823 -0.96876526 1 1165 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 91.8 2.3120189 10.15799 0.6015952 1 1166 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 94.14 0.8900489 9.718161 0.8953471 1 1167 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 94.14 -0.14793745 10.0163555 0.014725297 1 1168 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 94.14 0.60249025 8.955491 2.0190597 1 1169 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 93.75 -1.441977 9.5697365 0.25869018 1 1170 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 93.75 -0.684705 8.506489 2.2695942 1 1171 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 93.36 -1.6968377 8.812407 1.3837745 1 1172 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 92.97 -2.9724624 8.368296 1.6269224 1 1173 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 93.36 2.5595224 8.910534 -2.3315794 1 1174 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 92.58 1.877447 8.400118 -3.5146565 1 1175 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 92.58 2.1892107 6.914505 -3.748382 1 1176 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 92.19 1.2879897 6.1155324 -4.005431 1 1177 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 92.19 2.263558 9.21826 -4.7406025 1 1178 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 91.02 1.4016248 8.928148 -5.9680285 1 1179 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 92.19 1.7105736 9.843996 -7.1306458 1 1180 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 90.23 2.7427201 9.693108 -7.798138 1 1181 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 90.23 0.8378856 10.815619 -7.3723345 1 1182 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 93.36 3.4717236 6.542611 -3.6534252 1 1183 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 92.58 3.8675613 5.152259 -3.8308234 1 1184 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 92.19 3.4155817 4.278002 -2.6690125 1 1185 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 91.02 3.0473962 3.1156096 -2.8714907 1 1186 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 92.58 5.3841896 5.047699 -4.0464525 1 1187 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 92.97 5.8426623 5.5377364 -5.4164705 1 1188 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 93.75 7.3154325 5.2292385 -5.686393 1 1189 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 92.97 8.250277 6.084077 -4.8245573 1 1190 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 92.19 9.662777 5.8025303 -5.1253138 1 1191 +ATOM N N . MET C0 3 64 . 64 MET C0 N 94.92 3.4494557 4.811454 -1.459727 1 1192 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 94.53 2.989252 4.05791 -0.30787015 1 1193 +ATOM C C . MET C0 3 64 . 64 MET C0 C 94.14 1.4912448 3.7682524 -0.43317875 1 1194 +ATOM O O . MET C0 3 64 . 64 MET C0 O 92.97 1.0423224 2.658002 -0.13881005 1 1195 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 93.36 3.2796812 4.8054576 0.9962626 1 1196 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 92.97 3.1078618 3.9162529 2.229564 1 1197 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 94.53 3.5852613 4.7389355 3.7729006 1 1198 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 91.8 2.3012118 5.9711223 3.9016263 1 1199 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 94.14 0.74172056 4.769758 -0.90590274 1 1200 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 92.97 -0.69303906 4.5982456 -1.1115777 1 1201 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 93.36 -0.9725617 3.5616555 -2.1984515 1 1202 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 92.97 -1.9397593 2.7995162 -2.1021068 1 1203 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 92.97 -1.340255 5.930529 -1.4743538 1 1204 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 93.36 -0.1273159 3.5285728 -3.2440443 1 1205 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 92.19 -0.2502 2.5211082 -4.2933617 1 1206 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 91.41 -0.13565177 1.1091621 -3.6942039 1 1207 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 90.23 -0.94170266 0.22557361 -4.0296526 1 1208 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 91.41 0.8371087 2.762119 -5.368651 1 1209 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 91.8 1.0241687 1.6411635 -6.4092197 1 1210 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 92.58 0.0018200674 1.716046 -7.548871 1 1211 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 91.41 -1.1012123 0.8071282 -7.281303 1 1212 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 92.19 -1.31071 -0.3182492 -7.9235067 1 1213 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 89.84 -2.331917 -1.088825 -7.5799994 1 1214 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 89.84 -0.4796642 -0.7067239 -8.897833 1 1215 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 93.75 0.81925786 0.9240041 -2.8133824 1 1216 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 92.97 1.0023468 -0.36145377 -2.1440754 1 1217 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 93.36 -0.17474757 -0.660989 -1.2156794 1 1218 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 92.58 -0.6710152 -1.7911918 -1.1550277 1 1219 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 92.58 2.3086882 -0.36819696 -1.3652575 1 1220 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 94.53 -0.6157706 0.38101104 -0.49576128 1 1221 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 93.75 -1.7462811 0.2651456 0.42093974 1 1222 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 94.14 -3.0094883 -0.16931623 -0.31240192 1 1223 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 93.36 -3.7779915 -0.9955822 0.18348768 1 1224 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 94.14 -1.9724538 1.6254292 1.0830357 1 1225 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 94.14 -2.0544991 1.817508 2.5944445 1 1226 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 93.36 -1.5581278 3.216846 2.9251575 1 1227 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 92.58 -1.3380513 0.7607615 3.3837953 1 1228 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 94.53 -3.20962 0.38919872 -1.517559 1 1229 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 93.75 -4.389614 0.033931997 -2.308769 1 1230 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 92.97 -4.4439144 -1.4527545 -2.643036 1 1231 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 90.62 -5.526287 -2.0359015 -2.721527 1 1232 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 92.19 -4.429497 0.83868843 -3.6072192 1 1233 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 91.41 -5.2933035 2.0711286 -3.5486379 1 1234 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 92.97 -5.5352373 2.7093763 -4.9156847 1 1235 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 92.97 -4.376769 2.886986 -5.7684746 1 1236 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 94.53 -3.5194755 3.9078948 -5.7174244 1 1237 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 92.19 -3.6861877 4.868044 -4.830507 1 1238 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 92.19 -2.5026658 3.9645205 -6.563322 1 1239 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 93.36 -3.2821481 -2.0699482 -2.8134847 1 1240 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 92.58 -3.2386973 -3.4978154 -3.1131997 1 1241 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 92.19 -3.7710147 -4.3489 -1.9564697 1 1242 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 91.41 -4.2439156 -5.465157 -2.1667264 1 1243 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 92.19 -1.81584 -3.9383483 -3.4879231 1 1244 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 92.58 -1.3807342 -3.424914 -4.8580227 1 1245 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 89.84 -0.18234932 -3.305749 -5.136817 1 1246 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 90.23 -2.339108 -3.1116502 -5.711158 1 1247 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 94.14 -3.6910033 -3.8187509 -0.73244464 1 1248 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 93.36 -4.2375355 -4.5234547 0.41945627 1 1249 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 92.58 -5.762166 -4.6318235 0.35814875 1 1250 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 90.23 -6.3542852 -5.469757 1.0355767 1 1251 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 92.19 -3.8259432 -3.846265 1.7259166 1 1252 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 93.75 -2.3948343 -4.0598173 2.1318274 1 1253 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 93.36 -1.6171148 -2.9989555 2.5939498 1 1254 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 93.36 -1.815986 -5.3250093 2.116679 1 1255 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 92.97 -0.30801797 -3.189701 3.0072927 1 1256 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 93.75 -0.5080557 -5.523557 2.5215797 1 1257 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 93.36 0.23485811 -4.451741 2.9684982 1 1258 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 92.97 1.5276605 -4.638795 3.3808794 1 1259 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 93.75 -6.383196 -3.7931886 -0.46260446 1 1260 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 93.36 -7.824954 -3.8741167 -0.6619173 1 1261 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 93.36 -8.216674 -5.153986 -1.3856894 1 1262 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 91.41 -9.298525 -5.6990414 -1.1590412 1 1263 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 94.53 -7.3179345 -5.6290555 -2.2575912 1 1264 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 94.14 -7.555827 -6.887701 -2.980291 1 1265 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 92.97 -7.312974 -8.109468 -2.0981498 1 1266 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 91.8 -7.933344 -9.151872 -2.3135085 1 1267 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 93.75 -6.6692433 -6.9745317 -4.215387 1 1268 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 93.75 -6.901287 -5.8860397 -5.25881 1 1269 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 94.14 -8.271857 -5.9772053 -5.92451 1 1270 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 93.75 -8.575903 -7.297675 -6.6364737 1 1271 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 92.58 -8.178268 -7.259816 -8.070841 1 1272 +ATOM N N . THR C0 3 74 . 74 THR C0 N 94.14 -6.426941 -7.9757195 -1.1249535 1 1273 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 93.75 -6.052619 -9.100421 -0.26294982 1 1274 +ATOM C C . THR C0 3 74 . 74 THR C0 C 93.75 -6.632448 -8.997488 1.1518644 1 1275 +ATOM O O . THR C0 3 74 . 74 THR C0 O 92.58 -6.4771547 -9.9233465 1.9518076 1 1276 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 92.97 -4.520501 -9.251546 -0.18717378 1 1277 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 92.19 -3.9479122 -8.019998 0.25237882 1 1278 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 91.41 -3.9462085 -9.600382 -1.5624826 1 1279 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 92.58 -7.3042192 -7.888414 1.4588623 1 1280 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 93.36 -8.09535 -7.7639074 2.6654587 1 1281 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 94.53 -7.4260263 -7.281708 3.942903 1 1282 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 92.97 -8.075676 -7.238347 4.9920673 1 1283 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 93.75 -6.1357665 -6.912365 3.9107552 1 1284 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 93.75 -5.4598756 -6.462653 5.131305 1 1285 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 94.14 -5.8468733 -5.033547 5.502243 1 1286 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 92.97 -5.9826746 -4.707115 6.690914 1 1287 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 92.97 -3.9337068 -6.568017 4.9830465 1 1288 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 92.58 -3.4237008 -8.0092325 4.8313074 1 1289 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 92.97 -3.2098148 -8.398329 3.3782845 1 1290 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 92.19 -3.881627 -7.8358517 2.4777682 1 1291 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 91.8 -2.3706 -9.274136 3.1147835 1 1292 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 94.53 -6.0000153 -4.169176 4.5200768 1 1293 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 94.14 -6.3843665 -2.7712555 4.705366 1 1294 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 94.14 -7.3402677 -2.384499 3.5847394 1 1295 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 93.36 -7.153552 -2.804282 2.4424186 1 1296 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 93.75 -5.1569414 -1.8250577 4.6686563 1 1297 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 92.97 -5.586 -0.36676168 4.800852 1 1298 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 92.97 -4.1643095 -2.1829028 5.7734895 1 1299 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 93.75 -8.36136 -1.605386 3.8991094 1 1300 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 93.75 -9.289017 -1.1074712 2.8855305 1 1301 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 93.36 -9.359829 0.4063884 2.9339652 1 1302 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 92.58 -9.165042 1.0169613 3.9814038 1 1303 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 93.36 -10.667984 -1.7295659 3.0712562 1 1304 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 91.8 -10.665514 -3.2206738 2.8208911 1 1305 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 90.62 -12.052647 -3.812211 2.846133 1 1306 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 91.8 -11.980075 -5.3119802 2.606621 1 1307 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 90.23 -13.352148 -5.9236155 2.59586 1 1308 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 94.92 -9.629658 1.0096912 1.7797123 1 1309 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 94.53 -9.798911 2.453218 1.6888763 1 1310 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 94.14 -11.185879 2.8115804 2.2038617 1 1311 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 92.58 -12.149752 2.1141253 1.9037926 1 1312 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 93.75 -9.661028 2.9038544 0.23556717 1 1313 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 93.36 -9.700397 4.422603 0.03040057 1 1314 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 92.97 -8.486841 5.1184177 0.6422782 1 1315 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 93.36 -8.388941 6.596364 0.24842608 1 1316 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 91.8 -8.333065 7.4724627 1.4342679 1 1317 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 94.14 -11.307758 3.8630733 3.029475 1 1318 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 94.14 -12.633646 4.352989 3.3855064 1 1319 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 93.75 -12.867432 5.665677 2.6457336 1 1320 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 92.19 -11.928217 6.3775644 2.308065 1 1321 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 93.36 -12.906585 4.424383 4.9233255 1 1322 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 92.19 -13.050791 5.8609715 5.3970246 1 1323 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 92.97 -11.882399 3.6535573 5.7188826 1 1324 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 94.14 -14.12825 5.9536457 2.3434587 1 1325 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 93.75 -14.453787 7.081706 1.477111 1 1326 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 93.75 -14.337285 8.409999 2.2079175 1 1327 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 91.8 -15.303158 9.147451 2.3693871 1 1328 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 93.36 -15.847037 6.8966494 0.8301004 1 1329 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 92.97 -15.77065 6.021678 -0.39657003 1 1330 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 92.58 -17.05179 5.1864853 -0.5906285 1 1331 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 91.41 -17.381989 4.3826265 0.6741292 1 1332 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 91.02 -16.270224 3.4999976 1.1654536 1 1333 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 93.75 -13.131665 8.683995 2.6743512 1 1334 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 94.14 -12.7976885 9.933693 3.3416166 1 1335 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 93.75 -11.34239 10.228905 3.0016336 1 1336 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 93.36 -10.519882 9.315727 2.9150288 1 1337 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 93.36 -12.998268 9.793913 4.852168 1 1338 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 93.75 -13.108686 11.112797 5.5820055 1 1339 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 93.36 -14.091408 10.999425 6.779074 1 1340 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 92.97 -13.417315 10.493204 8.035765 1 1341 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 91.8 -12.390381 11.448317 8.51712 1 1342 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 93.36 -11.034342 11.500414 2.7838073 1 1343 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 94.14 -9.70984 11.910421 2.3578267 1 1344 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 94.53 -8.612425 11.378742 3.278934 1 1345 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 93.75 -8.646553 11.620759 4.492463 1 1346 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 93.36 -9.642824 13.437739 2.2785287 1 1347 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 92.97 -8.409216 13.998337 1.591692 1 1348 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 92.97 -8.574498 15.502832 1.3690641 1 1349 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 92.97 -7.2881894 16.133072 0.8599025 1 1350 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 91.41 -7.450758 17.572605 0.60784185 1 1351 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 94.53 -7.6765704 10.614237 2.7051244 1 1352 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 94.14 -6.5142355 10.082194 3.4142656 1 1353 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 94.14 -6.846502 9.085552 4.5226083 1 1354 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 93.36 -5.9886994 8.815559 5.3656893 1 1355 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 94.53 -5.655979 11.234319 3.9707592 1 1356 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 94.92 -5.0381417 12.153095 2.890746 1 1357 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 92.58 -4.657487 13.498468 3.4963388 1 1358 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 94.14 -3.8115351 11.486034 2.26994 1 1359 +ATOM N N . THR C0 3 85 . 85 THR C0 N 94.92 -8.033083 8.517061 4.5350447 1 1360 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 94.53 -8.36146 7.582962 5.59624 1 1361 +ATOM C C . THR C0 3 85 . 85 THR C0 C 94.53 -8.526391 6.1317596 5.111168 1 1362 +ATOM O O . THR C0 3 85 . 85 THR C0 O 93.36 -9.078833 5.8658123 4.042985 1 1363 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 93.75 -9.511677 8.070342 6.5376077 1 1364 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 91.02 -10.625437 7.1967077 6.469598 1 1365 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 91.8 -9.899807 9.486164 6.2811966 1 1366 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 94.92 -7.9624643 5.2120867 5.89805 1 1367 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 94.53 -7.930088 3.7903402 5.613166 1 1368 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 94.53 -8.425231 3.011147 6.819319 1 1369 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 92.58 -8.66857 3.5879831 7.880418 1 1370 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 93.36 -6.506482 3.3531017 5.2464275 1 1371 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 94.53 -6.032624 3.852457 3.898244 1 1372 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 94.14 -5.573494 5.1556253 3.73667 1 1373 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 94.92 -6.040386 3.0268993 2.7840447 1 1374 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 93.75 -5.1403465 5.63101 2.502892 1 1375 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 94.14 -5.6061344 3.4829478 1.5433171 1 1376 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 93.36 -5.1593122 4.781328 1.412521 1 1377 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 92.58 -4.737179 5.240365 0.18419452 1 1378 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 94.92 -8.571774 1.6959622 6.658792 1 1379 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 94.14 -9.104714 0.8703727 7.7395725 1 1380 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 94.14 -8.467867 -0.5158681 7.774268 1 1381 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 92.97 -8.480459 -1.2345717 6.779009 1 1382 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 93.36 -10.620447 0.7485194 7.596897 1 1383 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 92.58 -11.288927 0.00073346053 8.733686 1 1384 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 94.53 -12.790977 -0.060882878 8.567469 1 1385 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 91.41 -13.327377 0.21260852 7.4872847 1 1386 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 91.02 -13.496069 -0.4145444 9.633993 1 1387 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 95.7 -7.904761 -0.8900037 8.9334 1 1388 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 94.92 -7.35656 -2.2259178 9.134607 1 1389 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 94.14 -8.483437 -3.2522378 9.2351465 1 1390 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 92.58 -9.550166 -2.9488933 9.776173 1 1391 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 94.14 -6.534565 -2.2905743 10.420313 1 1392 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 95.31 -5.2204437 -1.5704014 10.366246 1 1393 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 95.31 -5.005433 -0.45539504 11.165394 1 1394 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 95.31 -4.2024107 -2.0154102 9.542555 1 1395 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 94.92 -3.7859468 0.21713722 11.133302 1 1396 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 95.31 -2.984255 -1.35104 9.503326 1 1397 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 95.31 -2.7753587 -0.23452678 10.296541 1 1398 +ATOM N N . SER C0 3 89 . 89 SER C0 N 96.09 -8.235598 -4.4492598 8.723335 1 1399 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 94.92 -9.183773 -5.5467463 8.888446 1 1400 +ATOM C C . SER C0 3 89 . 89 SER C0 C 93.36 -9.12179 -6.0680003 10.319236 1 1401 +ATOM O O . SER C0 3 89 . 89 SER C0 O 90.23 -8.155948 -5.8148727 11.040321 1 1402 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 94.14 -8.861872 -6.6821404 7.9192095 1 1403 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 92.19 -7.6527853 -7.3263607 8.294727 1 1404 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 94.14 -10.163324 -6.7968426 10.721856 1 1405 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 93.75 -10.165823 -7.419713 12.031395 1 1406 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 94.14 -9.024852 -8.407054 12.188053 1 1407 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 91.8 -8.461053 -8.54903 13.270955 1 1408 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 94.14 -8.666563 -9.080513 11.113932 1 1409 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 93.75 -7.5567417 -10.03196 11.117369 1 1410 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 94.14 -6.247279 -9.343679 11.5070915 1 1411 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 92.19 -5.497498 -9.850306 12.340637 1 1412 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 92.19 -7.4090023 -10.6922655 9.743051 1 1413 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 92.19 -6.178092 -11.580236 9.583799 1 1414 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 91.8 -6.0229335 -12.130025 8.17973 1 1415 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 90.23 -6.421963 -13.288292 7.9333096 1 1416 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 89.45 -5.5210786 -11.403395 7.3046665 1 1417 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 95.7 -5.980009 -8.202389 10.881874 1 1418 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 94.53 -4.77008 -7.432479 11.157515 1 1419 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 92.97 -4.761774 -6.914145 12.598944 1 1420 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 89.84 -3.7124972 -6.812167 13.222513 1 1421 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 93.75 -4.6174355 -6.261256 10.154988 1 1422 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 92.97 -3.6027822 -5.2385178 10.632463 1 1423 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 93.36 -4.2375693 -6.8046827 8.784227 1 1424 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 96.09 -5.9449377 -6.599366 13.127095 1 1425 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 94.92 -6.0918913 -6.0875273 14.48781 1 1426 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 91.41 -6.0116367 -7.1840844 15.554955 1 1427 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 86.33 -5.9922276 -6.883472 16.749401 1 1428 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 94.14 -7.4174385 -5.3324027 14.630351 1 1429 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 94.53 -7.5436773 -4.012258 13.868267 1 1430 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 94.14 -8.982883 -3.5150185 13.906631 1 1431 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 93.75 -6.600319 -2.962904 14.434956 1 1432 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 93.36 -5.980561 -8.412132 15.143114 1 1433 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 92.58 -5.90746 -9.5297985 16.075506 1 1434 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 92.19 -7.2184935 -9.834633 16.76111 1 1435 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 88.67 -7.239935 -10.108965 17.96407 1 1436 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 91.41 -8.2941065 -9.774039 16.007893 1 1437 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 90.23 -9.629113 -10.055141 16.552109 1 1438 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 89.06 -10.232682 -11.32021 15.942788 1 1439 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 85.16 -11.451515 -11.407602 15.771996 1 1440 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 89.06 -10.548728 -8.869096 16.314655 1 1441 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 89.06 -10.331448 -7.7606754 17.33087 1 1442 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 88.28 -11.430206 -6.729741 17.303583 1 1443 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 87.5 -11.18781 -5.677949 16.315533 1 1444 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 87.11 -12.123703 -5.2436337 15.466696 1 1445 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 86.72 -11.821736 -4.2791147 14.610432 1 1446 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 86.33 -13.335514 -5.766782 15.472738 1 1447 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 90.23 -9.385556 -12.288197 15.637344 1 1448 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 89.84 -9.862123 -13.559144 15.113344 1 1449 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 89.45 -10.685971 -14.293415 16.153187 1 1450 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 86.33 -10.347113 -14.309179 17.332724 1 1451 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 89.45 -11.750419 -14.877743 15.692923 1 1452 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 89.06 -12.603229 -15.632338 16.597809 1 1453 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 89.06 -13.836864 -14.876668 17.060863 1 1454 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 85.55 -14.8204 -15.481916 17.502518 1 1455 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 91.02 -13.772295 -13.539694 16.977425 1 1456 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 91.02 -14.921653 -12.725117 17.37473 1 1457 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 91.41 -16.120232 -13.03449 16.495232 1 1458 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 89.45 -17.247805 -13.146814 16.985977 1 1459 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 89.84 -14.566275 -11.236238 17.297188 1 1460 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 89.84 -15.584058 -10.253826 17.87548 1 1461 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 88.67 -15.085571 -8.815343 17.71462 1 1462 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 87.89 -15.868338 -10.550767 19.350286 1 1463 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 88.28 -15.868441 -13.166663 15.200497 1 1464 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 88.67 -16.92749 -13.51343 14.255012 1 1465 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 89.45 -17.480202 -14.915792 14.528452 1 1466 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 87.11 -18.68275 -15.15443 14.405949 1 1467 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 87.11 -16.413363 -13.428175 12.820499 1 1468 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 90.62 -16.564495 -15.820004 14.922209 1 1469 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 90.62 -16.951801 -17.197304 15.222504 1 1470 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 90.23 -17.863157 -17.284868 16.451405 1 1471 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 87.5 -18.737444 -18.160492 16.526674 1 1472 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 89.45 -15.708345 -18.062473 15.450018 1 1473 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 89.45 -14.739567 -18.10721 14.276407 1 1474 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 88.28 -13.419145 -18.76818 14.648542 1 1475 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 87.11 -12.376627 -18.391157 14.103821 1 1476 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 86.33 -13.430806 -19.67003 15.519436 1 1477 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 90.62 -17.612942 -16.385248 17.42705 1 1478 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 90.62 -18.369583 -16.407818 18.678764 1 1479 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 91.02 -19.78595 -15.870714 18.527962 1 1480 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 89.06 -20.60207 -16.026825 19.44141 1 1481 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 89.45 -17.635567 -15.591181 19.744219 1 1482 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 89.06 -16.3499 -16.245426 20.266586 1 1483 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 87.5 -15.857191 -15.572025 21.550879 1 1484 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 85.94 -15.419046 -14.188293 21.323566 1 1485 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 84.38 -14.186823 -13.840124 20.92965 1 1486 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 83.59 -13.264768 -14.772537 20.710262 1 1487 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 83.98 -13.872524 -12.544313 20.763285 1 1488 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 89.45 -20.096031 -15.244125 17.382969 1 1489 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 89.45 -21.368582 -14.552905 17.209333 1 1490 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 89.45 -22.49025 -15.402797 16.652431 1 1491 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 87.5 -22.279303 -16.228409 15.769116 1 1492 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 88.67 -21.188427 -13.3144245 16.312983 1 1493 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 88.67 -20.586882 -12.126977 17.033506 1 1494 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 88.28 -20.19362 -11.033587 16.052263 1 1495 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 87.11 -19.430141 -9.983069 16.722767 1 1496 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 86.72 -18.495293 -9.259998 16.12875 1 1497 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 85.55 -17.841883 -8.329495 16.80213 1 1498 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 85.55 -18.213797 -9.459063 14.852203 1 1499 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 91.02 -23.685024 -15.164807 17.174551 1 1500 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 90.23 -24.955458 -15.606922 16.60083 1 1501 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 89.84 -25.715914 -14.342199 16.337856 1 1502 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 87.5 -25.471928 -13.329945 17.019762 1 1503 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 89.45 -25.713469 -16.527111 17.581753 1 1504 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 90.62 -24.946358 -17.782215 17.936205 1 1505 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 89.45 -24.4412 -18.645308 16.98167 1 1506 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 88.67 -24.622856 -18.250303 19.157915 1 1507 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 87.89 -23.81291 -19.64925 17.53578 1 1508 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 87.5 -23.906586 -19.426552 18.968767 1 1509 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 90.62 -26.484013 -14.401619 15.386563 1 1510 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 91.02 -27.3773 -15.234532 14.578056 1 1511 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 91.8 -26.732529 -16.05198 13.46269 1 1512 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 90.23 -26.172215 -17.123142 13.712681 1 1513 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 89.84 -28.367655 -14.248081 13.944105 1 1514 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 89.84 -28.247675 -12.993134 14.723469 1 1515 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 89.84 -26.89864 -13.00738 15.359516 1 1516 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 89.45 -26.943943 -15.646448 12.266331 1 1517 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 90.23 -27.104298 -16.495068 11.081833 1 1518 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 91.02 -25.808811 -16.765991 10.332615 1 1519 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 89.45 -24.734066 -16.367985 10.76733 1 1520 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 89.06 -28.030903 -15.665661 10.180318 1 1521 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 89.06 -27.89351 -14.231398 10.6374855 1 1522 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 89.45 -27.078033 -14.2129 11.873203 1 1523 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 89.84 -25.993317 -17.454723 9.234971 1 1524 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 90.23 -24.916187 -17.677307 8.289273 1 1525 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 90.23 -24.642654 -16.405792 7.509345 1 1526 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 88.28 -25.570425 -15.701708 7.1139164 1 1527 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 88.67 -25.25219 -18.81644 7.3331857 1 1528 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 89.45 -25.08768 -20.18998 7.940958 1 1529 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 87.89 -24.928738 -20.380669 9.297293 1 1530 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 86.72 -25.073742 -21.414003 7.3573008 1 1531 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 85.55 -24.818558 -21.67363 9.5536 1 1532 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 85.16 -24.893799 -22.334755 8.371536 1 1533 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 85.55 -23.44843 -16.1104 7.310342 1 1534 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..f0d06c486cb1ed7dcd47c619e3183e5834ee180c --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_sample_4_postprocessed.cif @@ -0,0 +1,1869 @@ +data_8e3r-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 8e3r-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polydeoxyribonucleotide +2 B polydeoxyribonucleotide +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DA 1 +1 n DA 2 +1 n DT 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DG 9 +1 n DA 10 +1 n DA 11 +1 n DG 12 +1 n DT 13 +1 n DG 14 +1 n DG 15 +1 n DG 16 +2 n DT 1 +2 n DC 2 +2 n DC 3 +2 n DC 4 +2 n DA 5 +2 n DC 6 +2 n DT 7 +2 n DT 8 +2 n DC 9 +2 n DC 10 +2 n DT 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DA 15 +2 n DT 16 +3 n GLY 1 +3 n SER 2 +3 n LYS 3 +3 n LYS 4 +3 n LYS 5 +3 n ILE 6 +3 n ARG 7 +3 n LEU 8 +3 n TYR 9 +3 n GLN 10 +3 n PHE 11 +3 n LEU 12 +3 n LEU 13 +3 n ASP 14 +3 n LEU 15 +3 n LEU 16 +3 n ARG 17 +3 n SER 18 +3 n GLY 19 +3 n ASP 20 +3 n MET 21 +3 n LYS 22 +3 n ASP 23 +3 n SER 24 +3 n ILE 25 +3 n TRP 26 +3 n TRP 27 +3 n VAL 28 +3 n ASP 29 +3 n LYS 30 +3 n ASP 31 +3 n LYS 32 +3 n GLY 33 +3 n THR 34 +3 n PHE 35 +3 n GLN 36 +3 n PHE 37 +3 n SER 38 +3 n SER 39 +3 n LYS 40 +3 n HIS 41 +3 n LYS 42 +3 n GLU 43 +3 n ALA 44 +3 n LEU 45 +3 n ALA 46 +3 n HIS 47 +3 n ARG 48 +3 n TRP 49 +3 n GLY 50 +3 n ILE 51 +3 n GLN 52 +3 n LYS 53 +3 n GLY 54 +3 n ASN 55 +3 n ARG 56 +3 n LYS 57 +3 n LYS 58 +3 n MET 59 +3 n THR 60 +3 n TYR 61 +3 n GLN 62 +3 n LYS 63 +3 n MET 64 +3 n ALA 65 +3 n ARG 66 +3 n ALA 67 +3 n LEU 68 +3 n ARG 69 +3 n ASN 70 +3 n TYR 71 +3 n GLY 72 +3 n LYS 73 +3 n THR 74 +3 n GLY 75 +3 n GLU 76 +3 n VAL 77 +3 n LYS 78 +3 n LYS 79 +3 n VAL 80 +3 n LYS 81 +3 n LYS 82 +3 n LYS 83 +3 n LEU 84 +3 n THR 85 +3 n TYR 86 +3 n GLN 87 +3 n PHE 88 +3 n SER 89 +3 n GLY 90 +3 n GLU 91 +3 n VAL 92 +3 n LEU 93 +3 n GLY 94 +3 n ARG 95 +3 n GLY 96 +3 n GLY 97 +3 n LEU 98 +3 n ALA 99 +3 n GLU 100 +3 n ARG 101 +3 n ARG 102 +3 n HIS 103 +3 n PRO 104 +3 n PRO 105 +3 n HIS 106 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 DA DA 1 2 "O3'" P . . +2 covale sing A0 A0 DA DT 2 3 "O3'" P . . +3 covale sing A0 A0 DT DA 3 4 "O3'" P . . +4 covale sing A0 A0 DA DA 4 5 "O3'" P . . +5 covale sing A0 A0 DA DA 5 6 "O3'" P . . +6 covale sing A0 A0 DA DA 6 7 "O3'" P . . +7 covale sing A0 A0 DA DG 7 8 "O3'" P . . +8 covale sing A0 A0 DG DG 8 9 "O3'" P . . +9 covale sing A0 A0 DG DA 9 10 "O3'" P . . +10 covale sing A0 A0 DA DA 10 11 "O3'" P . . +11 covale sing A0 A0 DA DG 11 12 "O3'" P . . +12 covale sing A0 A0 DG DT 12 13 "O3'" P . . +13 covale sing A0 A0 DT DG 13 14 "O3'" P . . +14 covale sing A0 A0 DG DG 14 15 "O3'" P . . +15 covale sing A0 A0 DG DG 15 16 "O3'" P . . +16 covale sing B0 B0 DT DC 1 2 "O3'" P . . +17 covale sing B0 B0 DC DC 2 3 "O3'" P . . +18 covale sing B0 B0 DC DC 3 4 "O3'" P . . +19 covale sing B0 B0 DC DA 4 5 "O3'" P . . +20 covale sing B0 B0 DA DC 5 6 "O3'" P . . +21 covale sing B0 B0 DC DT 6 7 "O3'" P . . +22 covale sing B0 B0 DT DT 7 8 "O3'" P . . +23 covale sing B0 B0 DT DC 8 9 "O3'" P . . +24 covale sing B0 B0 DC DC 9 10 "O3'" P . . +25 covale sing B0 B0 DC DT 10 11 "O3'" P . . +26 covale sing B0 B0 DT DT 11 12 "O3'" P . . +27 covale sing B0 B0 DT DT 12 13 "O3'" P . . +28 covale sing B0 B0 DT DT 13 14 "O3'" P . . +29 covale sing B0 B0 DT DA 14 15 "O3'" P . . +30 covale sing B0 B0 DA DT 15 16 "O3'" P . . +31 covale sing C0 C0 GLY SER 1 2 C N . . +32 covale sing C0 C0 SER LYS 2 3 C N . . +33 covale sing C0 C0 LYS LYS 3 4 C N . . +34 covale sing C0 C0 LYS LYS 4 5 C N . . +35 covale sing C0 C0 LYS ILE 5 6 C N . . +36 covale sing C0 C0 ILE ARG 6 7 C N . . +37 covale sing C0 C0 ARG LEU 7 8 C N . . +38 covale sing C0 C0 LEU TYR 8 9 C N . . +39 covale sing C0 C0 TYR GLN 9 10 C N . . +40 covale sing C0 C0 GLN PHE 10 11 C N . . +41 covale sing C0 C0 PHE LEU 11 12 C N . . +42 covale sing C0 C0 LEU LEU 12 13 C N . . +43 covale sing C0 C0 LEU ASP 13 14 C N . . +44 covale sing C0 C0 ASP LEU 14 15 C N . . +45 covale sing C0 C0 LEU LEU 15 16 C N . . +46 covale sing C0 C0 LEU ARG 16 17 C N . . +47 covale sing C0 C0 ARG SER 17 18 C N . . +48 covale sing C0 C0 SER GLY 18 19 C N . . +49 covale sing C0 C0 GLY ASP 19 20 C N . . +50 covale sing C0 C0 ASP MET 20 21 C N . . +51 covale sing C0 C0 MET LYS 21 22 C N . . +52 covale sing C0 C0 LYS ASP 22 23 C N . . +53 covale sing C0 C0 ASP SER 23 24 C N . . +54 covale sing C0 C0 SER ILE 24 25 C N . . +55 covale sing C0 C0 ILE TRP 25 26 C N . . +56 covale sing C0 C0 TRP TRP 26 27 C N . . +57 covale sing C0 C0 TRP VAL 27 28 C N . . +58 covale sing C0 C0 VAL ASP 28 29 C N . . +59 covale sing C0 C0 ASP LYS 29 30 C N . . +60 covale sing C0 C0 LYS ASP 30 31 C N . . +61 covale sing C0 C0 ASP LYS 31 32 C N . . +62 covale sing C0 C0 LYS GLY 32 33 C N . . +63 covale sing C0 C0 GLY THR 33 34 C N . . +64 covale sing C0 C0 THR PHE 34 35 C N . . +65 covale sing C0 C0 PHE GLN 35 36 C N . . +66 covale sing C0 C0 GLN PHE 36 37 C N . . +67 covale sing C0 C0 PHE SER 37 38 C N . . +68 covale sing C0 C0 SER SER 38 39 C N . . +69 covale sing C0 C0 SER LYS 39 40 C N . . +70 covale sing C0 C0 LYS HIS 40 41 C N . . +71 covale sing C0 C0 HIS LYS 41 42 C N . . +72 covale sing C0 C0 LYS GLU 42 43 C N . . +73 covale sing C0 C0 GLU ALA 43 44 C N . . +74 covale sing C0 C0 ALA LEU 44 45 C N . . +75 covale sing C0 C0 LEU ALA 45 46 C N . . +76 covale sing C0 C0 ALA HIS 46 47 C N . . +77 covale sing C0 C0 HIS ARG 47 48 C N . . +78 covale sing C0 C0 ARG TRP 48 49 C N . . +79 covale sing C0 C0 TRP GLY 49 50 C N . . +80 covale sing C0 C0 GLY ILE 50 51 C N . . +81 covale sing C0 C0 ILE GLN 51 52 C N . . +82 covale sing C0 C0 GLN LYS 52 53 C N . . +83 covale sing C0 C0 LYS GLY 53 54 C N . . +84 covale sing C0 C0 GLY ASN 54 55 C N . . +85 covale sing C0 C0 ASN ARG 55 56 C N . . +86 covale sing C0 C0 ARG LYS 56 57 C N . . +87 covale sing C0 C0 LYS LYS 57 58 C N . . +88 covale sing C0 C0 LYS MET 58 59 C N . . +89 covale sing C0 C0 MET THR 59 60 C N . . +90 covale sing C0 C0 THR TYR 60 61 C N . . +91 covale sing C0 C0 TYR GLN 61 62 C N . . +92 covale sing C0 C0 GLN LYS 62 63 C N . . +93 covale sing C0 C0 LYS MET 63 64 C N . . +94 covale sing C0 C0 MET ALA 64 65 C N . . +95 covale sing C0 C0 ALA ARG 65 66 C N . . +96 covale sing C0 C0 ARG ALA 66 67 C N . . +97 covale sing C0 C0 ALA LEU 67 68 C N . . +98 covale sing C0 C0 LEU ARG 68 69 C N . . +99 covale sing C0 C0 ARG ASN 69 70 C N . . +100 covale sing C0 C0 ASN TYR 70 71 C N . . +101 covale sing C0 C0 TYR GLY 71 72 C N . . +102 covale sing C0 C0 GLY LYS 72 73 C N . . +103 covale sing C0 C0 LYS THR 73 74 C N . . +104 covale sing C0 C0 THR GLY 74 75 C N . . +105 covale sing C0 C0 GLY GLU 75 76 C N . . +106 covale sing C0 C0 GLU VAL 76 77 C N . . +107 covale sing C0 C0 VAL LYS 77 78 C N . . +108 covale sing C0 C0 LYS LYS 78 79 C N . . +109 covale sing C0 C0 LYS VAL 79 80 C N . . +110 covale sing C0 C0 VAL LYS 80 81 C N . . +111 covale sing C0 C0 LYS LYS 81 82 C N . . +112 covale sing C0 C0 LYS LYS 82 83 C N . . +113 covale sing C0 C0 LYS LEU 83 84 C N . . +114 covale sing C0 C0 LEU THR 84 85 C N . . +115 covale sing C0 C0 THR TYR 85 86 C N . . +116 covale sing C0 C0 TYR GLN 86 87 C N . . +117 covale sing C0 C0 GLN PHE 87 88 C N . . +118 covale sing C0 C0 PHE SER 88 89 C N . . +119 covale sing C0 C0 SER GLY 89 90 C N . . +120 covale sing C0 C0 GLY GLU 90 91 C N . . +121 covale sing C0 C0 GLU VAL 91 92 C N . . +122 covale sing C0 C0 VAL LEU 92 93 C N . . +123 covale sing C0 C0 LEU GLY 93 94 C N . . +124 covale sing C0 C0 GLY ARG 94 95 C N . . +125 covale sing C0 C0 ARG GLY 95 96 C N . . +126 covale sing C0 C0 GLY GLY 96 97 C N . . +127 covale sing C0 C0 GLY LEU 97 98 C N . . +128 covale sing C0 C0 LEU ALA 98 99 C N . . +129 covale sing C0 C0 ALA GLU 99 100 C N . . +130 covale sing C0 C0 GLU ARG 100 101 C N . . +131 covale sing C0 C0 ARG ARG 101 102 C N . . +132 covale sing C0 C0 ARG HIS 102 103 C N . . +133 covale sing C0 C0 HIS PRO 103 104 C N . . +134 covale sing C0 C0 PRO PRO 104 105 C N . . +135 covale sing C0 C0 PRO HIS 105 106 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM O OP3 . DA A0 1 1 . 1 DA A0 OP3 0 -12.069883 23.498043 -20.70422 1 1 1 +ATOM P P . DA A0 1 1 . 1 DA A0 P 0 -12.9976425 24.060352 -19.723972 1 2 1 +ATOM O OP1 . DA A0 1 1 . 1 DA A0 OP1 0 -13.51075 23.553288 -18.518564 1 3 1 +ATOM O OP2 . DA A0 1 1 . 1 DA A0 OP2 0 -14.223167 24.20073 -20.804935 1 4 1 +ATOM O "O5'" . DA A0 1 1 . 1 DA A0 "O5'" 0 -12.451181 25.688057 -19.532494 1 5 1 +ATOM C "C5'" . DA A0 1 1 . 1 DA A0 "C5'" 0 -12.754072 25.993633 -18.302874 1 6 1 +ATOM C "C4'" . DA A0 1 1 . 1 DA A0 "C4'" 0 -11.595517 26.434282 -17.422031 1 7 1 +ATOM O "O4'" . DA A0 1 1 . 1 DA A0 "O4'" 0 -12.074565 26.264265 -16.054344 1 8 1 +ATOM C "C3'" . DA A0 1 1 . 1 DA A0 "C3'" 0 -10.262905 25.659676 -17.484386 1 9 1 +ATOM O "O3'" . DA A0 1 1 . 1 DA A0 "O3'" 0 -9.181574 26.515326 -17.142712 1 10 1 +ATOM C "C2'" . DA A0 1 1 . 1 DA A0 "C2'" 0 -10.463714 24.571522 -16.433714 1 11 1 +ATOM C "C1'" . DA A0 1 1 . 1 DA A0 "C1'" 0 -11.290724 25.27933 -15.38262 1 12 1 +ATOM N N9 . DA A0 1 1 . 1 DA A0 N9 0 -12.207541 24.390686 -14.660202 1 13 1 +ATOM C C8 . DA A0 1 1 . 1 DA A0 C8 0 -13.129289 23.52393 -15.182922 1 14 1 +ATOM N N7 . DA A0 1 1 . 1 DA A0 N7 0 -13.832073 22.878521 -14.282937 1 15 1 +ATOM C C5 . DA A0 1 1 . 1 DA A0 C5 0 -13.344153 23.356155 -13.08205 1 16 1 +ATOM C C6 . DA A0 1 1 . 1 DA A0 C6 0 -13.670388 23.067688 -11.750755 1 17 1 +ATOM N N6 . DA A0 1 1 . 1 DA A0 N6 0 -14.618246 22.18737 -11.392128 1 18 1 +ATOM N N1 . DA A0 1 1 . 1 DA A0 N1 0 -12.98018 23.734406 -10.791843 1 19 1 +ATOM C C2 . DA A0 1 1 . 1 DA A0 C2 0 -12.0319605 24.6227 -11.148099 1 20 1 +ATOM N N3 . DA A0 1 1 . 1 DA A0 N3 0 -11.633488 24.972656 -12.373007 1 21 1 +ATOM C C4 . DA A0 1 1 . 1 DA A0 C4 0 -12.337202 24.294373 -13.302132 1 22 1 +ATOM P P . DA A0 1 2 . 2 DA A0 P 0 -7.641304 26.222216 -17.329184 1 23 1 +ATOM O OP1 . DA A0 1 2 . 2 DA A0 OP1 0 -7.531105 25.005497 -18.1639 1 24 1 +ATOM O OP2 . DA A0 1 2 . 2 DA A0 OP2 0 -6.937183 27.471931 -17.720486 1 25 1 +ATOM O "O5'" . DA A0 1 2 . 2 DA A0 "O5'" 0 -7.2026763 25.841637 -15.84115 1 26 1 +ATOM C "C5'" . DA A0 1 2 . 2 DA A0 "C5'" 0 -7.2634 26.82052 -14.825153 1 27 1 +ATOM C "C4'" . DA A0 1 2 . 2 DA A0 "C4'" 0 -6.8215857 26.238148 -13.506657 1 28 1 +ATOM O "O4'" . DA A0 1 2 . 2 DA A0 "O4'" 0 -7.890969 25.437946 -12.9342 1 29 1 +ATOM C "C3'" . DA A0 1 2 . 2 DA A0 "C3'" 0 -5.591057 25.34056 -13.580807 1 30 1 +ATOM O "O3'" . DA A0 1 2 . 2 DA A0 "O3'" 0 -4.6913323 25.711107 -12.539592 1 31 1 +ATOM C "C2'" . DA A0 1 2 . 2 DA A0 "C2'" 0 -6.1601 23.929594 -13.401712 1 32 1 +ATOM C "C1'" . DA A0 1 2 . 2 DA A0 "C1'" 0 -7.3899837 24.18144 -12.538323 1 33 1 +ATOM N N9 . DA A0 1 2 . 2 DA A0 N9 0 -8.487436 23.224777 -12.696844 1 34 1 +ATOM C C8 . DA A0 1 2 . 2 DA A0 C8 0 -8.999681 22.729252 -13.867672 1 35 1 +ATOM N N7 . DA A0 1 2 . 2 DA A0 N7 0 -9.999031 21.90109 -13.701499 1 36 1 +ATOM C C5 . DA A0 1 2 . 2 DA A0 C5 0 -10.163975 21.850971 -12.325736 1 37 1 +ATOM C C6 . DA A0 1 2 . 2 DA A0 C6 0 -11.067955 21.146973 -11.505444 1 38 1 +ATOM N N6 . DA A0 1 2 . 2 DA A0 N6 0 -12.017009 20.331291 -11.983091 1 39 1 +ATOM N N1 . DA A0 1 2 . 2 DA A0 N1 0 -10.965429 21.311596 -10.170637 1 40 1 +ATOM C C2 . DA A0 1 2 . 2 DA A0 C2 0 -10.01939 22.132042 -9.701962 1 41 1 +ATOM N N3 . DA A0 1 2 . 2 DA A0 N3 0 -9.113831 22.846134 -10.369888 1 42 1 +ATOM C C4 . DA A0 1 2 . 2 DA A0 C4 0 -9.240741 22.658478 -11.692118 1 43 1 +ATOM P P . DT A0 1 3 . 3 DT A0 P 0 -3.23202 24.995173 -12.380789 1 44 1 +ATOM O OP1 . DT A0 1 3 . 3 DT A0 OP1 0 -2.988986 24.107952 -13.543543 1 45 1 +ATOM O OP2 . DT A0 1 3 . 3 DT A0 OP2 0 -2.2542748 26.064306 -12.026847 1 46 1 +ATOM O "O5'" . DT A0 1 3 . 3 DT A0 "O5'" 0 -3.4608402 24.078146 -11.103302 1 47 1 +ATOM C "C5'" . DT A0 1 3 . 3 DT A0 "C5'" 0 -4.318944 24.531935 -10.080337 1 48 1 +ATOM C "C4'" . DT A0 1 3 . 3 DT A0 "C4'" 0 -4.4992805 23.458447 -9.029108 1 49 1 +ATOM O "O4'" . DT A0 1 3 . 3 DT A0 "O4'" 0 -5.6838503 22.666933 -9.314049 1 50 1 +ATOM C "C3'" . DT A0 1 3 . 3 DT A0 "C3'" 0 -3.3508482 22.46423 -8.912586 1 51 1 +ATOM O "O3'" . DT A0 1 3 . 3 DT A0 "O3'" 0 -3.1110315 22.236134 -7.5369153 1 52 1 +ATOM C "C2'" . DT A0 1 3 . 3 DT A0 "C2'" 0 -3.8825388 21.215351 -9.61058 1 53 1 +ATOM C "C1'" . DT A0 1 3 . 3 DT A0 "C1'" 0 -5.3504376 21.29985 -9.259734 1 54 1 +ATOM N N1 . DT A0 1 3 . 3 DT A0 N1 0 -6.2944684 20.57648 -10.148473 1 55 1 +ATOM C C2 . DT A0 1 3 . 3 DT A0 C2 0 -7.3605537 19.941874 -9.546919 1 56 1 +ATOM O O2 . DT A0 1 3 . 3 DT A0 O2 0 -7.5579243 19.939625 -8.3428 1 57 1 +ATOM N N3 . DT A0 1 3 . 3 DT A0 N3 0 -8.204781 19.29689 -10.4112015 1 58 1 +ATOM C C4 . DT A0 1 3 . 3 DT A0 C4 0 -8.094612 19.231062 -11.785268 1 59 1 +ATOM O O4 . DT A0 1 3 . 3 DT A0 O4 0 -8.926572 18.620962 -12.455547 1 60 1 +ATOM C C5 . DT A0 1 3 . 3 DT A0 C5 0 -6.9506884 19.914467 -12.346165 1 61 1 +ATOM C C7 . DT A0 1 3 . 3 DT A0 C7 0 -6.739363 19.89704 -13.834357 1 62 1 +ATOM C C6 . DT A0 1 3 . 3 DT A0 C6 0 -6.119793 20.549356 -11.512539 1 63 1 +ATOM P P . DA A0 1 4 . 4 DA A0 P 0 -1.8877915 21.401407 -7.005958 1 64 1 +ATOM O OP1 . DA A0 1 4 . 4 DA A0 OP1 0 -1.3476813 20.601776 -8.131133 1 65 1 +ATOM O OP2 . DA A0 1 4 . 4 DA A0 OP2 0 -0.9965903 22.31679 -6.255335 1 66 1 +ATOM O "O5'" . DA A0 1 4 . 4 DA A0 "O5'" 0 -2.567828 20.405151 -5.9688387 1 67 1 +ATOM C "C5'" . DA A0 1 4 . 4 DA A0 "C5'" 0 -3.8984017 20.629642 -5.5343103 1 68 1 +ATOM C "C4'" . DA A0 1 4 . 4 DA A0 "C4'" 0 -4.4723125 19.355886 -4.9595737 1 69 1 +ATOM O "O4'" . DA A0 1 4 . 4 DA A0 "O4'" 0 -5.3648114 18.719849 -5.9159946 1 70 1 +ATOM C "C3'" . DA A0 1 4 . 4 DA A0 "C3'" 0 -3.4386473 18.302856 -4.5993643 1 71 1 +ATOM O "O3'" . DA A0 1 4 . 4 DA A0 "O3'" 0 -3.900257 17.647999 -3.4355185 1 72 1 +ATOM C "C2'" . DA A0 1 4 . 4 DA A0 "C2'" 0 -3.4359186 17.388 -5.825894 1 73 1 +ATOM C "C1'" . DA A0 1 4 . 4 DA A0 "C1'" 0 -4.903878 17.421595 -6.2144556 1 74 1 +ATOM N N9 . DA A0 1 4 . 4 DA A0 N9 0 -5.2166057 17.173868 -7.6191306 1 75 1 +ATOM C C8 . DA A0 1 4 . 4 DA A0 C8 0 -4.530209 17.59109 -8.725304 1 76 1 +ATOM N N7 . DA A0 1 4 . 4 DA A0 N7 0 -5.088747 17.244041 -9.8582 1 77 1 +ATOM C C5 . DA A0 1 4 . 4 DA A0 C5 0 -6.230978 16.551094 -9.470732 1 78 1 +ATOM C C6 . DA A0 1 4 . 4 DA A0 C6 0 -7.2525954 15.922652 -10.204716 1 79 1 +ATOM N N6 . DA A0 1 4 . 4 DA A0 N6 0 -7.296081 15.899979 -11.53873 1 80 1 +ATOM N N1 . DA A0 1 4 . 4 DA A0 N1 0 -8.239055 15.317041 -9.510223 1 81 1 +ATOM C C2 . DA A0 1 4 . 4 DA A0 C2 0 -8.193253 15.349791 -8.174062 1 82 1 +ATOM N N3 . DA A0 1 4 . 4 DA A0 N3 0 -7.2819815 15.909613 -7.37161 1 83 1 +ATOM C C4 . DA A0 1 4 . 4 DA A0 C4 0 -6.3146305 16.502136 -8.096651 1 84 1 +ATOM P P . DA A0 1 5 . 5 DA A0 P 0 -3.0165439 16.575846 -2.7141702 1 85 1 +ATOM O OP1 . DA A0 1 5 . 5 DA A0 OP1 0 -1.8624872 16.172146 -3.561038 1 86 1 +ATOM O OP2 . DA A0 1 5 . 5 DA A0 OP2 0 -2.7962637 17.059393 -1.3273207 1 87 1 +ATOM O "O5'" . DA A0 1 5 . 5 DA A0 "O5'" 0 -4.036787 15.363324 -2.6692362 1 88 1 +ATOM C "C5'" . DA A0 1 5 . 5 DA A0 "C5'" 0 -5.427227 15.616195 -2.539291 1 89 1 +ATOM C "C4'" . DA A0 1 5 . 5 DA A0 "C4'" 0 -6.229574 14.371429 -2.8380556 1 90 1 +ATOM O "O4'" . DA A0 1 5 . 5 DA A0 "O4'" 0 -6.4243956 14.231239 -4.2704062 1 91 1 +ATOM C "C3'" . DA A0 1 5 . 5 DA A0 "C3'" 0 -5.5968795 13.066683 -2.3634427 1 92 1 +ATOM O "O3'" . DA A0 1 5 . 5 DA A0 "O3'" 0 -6.6415963 12.288432 -1.8048036 1 93 1 +ATOM C "C2'" . DA A0 1 5 . 5 DA A0 "C2'" 0 -5.0076075 12.46829 -3.6383228 1 94 1 +ATOM C "C1'" . DA A0 1 5 . 5 DA A0 "C1'" 0 -5.986419 12.961626 -4.6952205 1 95 1 +ATOM N N9 . DA A0 1 5 . 5 DA A0 N9 0 -5.4698944 13.140481 -6.050666 1 96 1 +ATOM C C8 . DA A0 1 5 . 5 DA A0 C8 0 -4.302838 13.730718 -6.436643 1 97 1 +ATOM N N7 . DA A0 1 5 . 5 DA A0 N7 0 -4.138488 13.790028 -7.7379107 1 98 1 +ATOM C C5 . DA A0 1 5 . 5 DA A0 C5 0 -5.2860312 13.192018 -8.24259 1 99 1 +ATOM C C6 . DA A0 1 5 . 5 DA A0 C6 0 -5.7216077 12.942276 -9.553625 1 100 1 +ATOM N N6 . DA A0 1 5 . 5 DA A0 N6 0 -5.026068 13.283424 -10.642413 1 101 1 +ATOM N N1 . DA A0 1 5 . 5 DA A0 N1 0 -6.909171 12.323109 -9.711521 1 102 1 +ATOM C C2 . DA A0 1 5 . 5 DA A0 C2 0 -7.607814 11.986004 -8.620489 1 103 1 +ATOM N N3 . DA A0 1 5 . 5 DA A0 N3 0 -7.3037295 12.169702 -7.3335953 1 104 1 +ATOM C C4 . DA A0 1 5 . 5 DA A0 C4 0 -6.1141987 12.784306 -7.216133 1 105 1 +ATOM P P . DA A0 1 6 . 6 DA A0 P 0 -6.3588204 10.866964 -1.1460265 1 106 1 +ATOM O OP1 . DA A0 1 6 . 6 DA A0 OP1 0 -4.902807 10.661277 -0.93940306 1 107 1 +ATOM O OP2 . DA A0 1 6 . 6 DA A0 OP2 0 -7.303447 10.747059 -0.007590009 1 108 1 +ATOM O "O5'" . DA A0 1 6 . 6 DA A0 "O5'" 0 -6.8487563 9.893528 -2.296642 1 109 1 +ATOM C "C5'" . DA A0 1 6 . 6 DA A0 "C5'" 0 -8.143078 10.072283 -2.8534932 1 110 1 +ATOM C "C4'" . DA A0 1 6 . 6 DA A0 "C4'" 0 -8.38016 9.129166 -4.0029716 1 111 1 +ATOM O "O4'" . DA A0 1 6 . 6 DA A0 "O4'" 0 -7.7234564 9.630184 -5.189767 1 112 1 +ATOM C "C3'" . DA A0 1 6 . 6 DA A0 "C3'" 0 -7.8624597 7.707406 -3.7912788 1 113 1 +ATOM O "O3'" . DA A0 1 6 . 6 DA A0 "O3'" 0 -8.921614 6.8037605 -4.072011 1 114 1 +ATOM C "C2'" . DA A0 1 6 . 6 DA A0 "C2'" 0 -6.710503 7.583392 -4.790909 1 115 1 +ATOM C "C1'" . DA A0 1 6 . 6 DA A0 "C1'" 0 -7.116802 8.563391 -5.872237 1 116 1 +ATOM N N9 . DA A0 1 6 . 6 DA A0 N9 0 -6.0276937 9.126076 -6.6752415 1 117 1 +ATOM C C8 . DA A0 1 6 . 6 DA A0 C8 0 -4.8810983 9.721051 -6.228751 1 118 1 +ATOM N N7 . DA A0 1 6 . 6 DA A0 N7 0 -4.0936627 10.145139 -7.1870522 1 119 1 +ATOM C C5 . DA A0 1 6 . 6 DA A0 C5 0 -4.7714887 9.803587 -8.353067 1 120 1 +ATOM C C6 . DA A0 1 6 . 6 DA A0 C6 0 -4.4596944 9.978914 -9.710766 1 121 1 +ATOM N N6 . DA A0 1 6 . 6 DA A0 N6 0 -3.3476796 10.566647 -10.144818 1 122 1 +ATOM N N1 . DA A0 1 6 . 6 DA A0 N1 0 -5.3438888 9.52515 -10.616373 1 123 1 +ATOM C C2 . DA A0 1 6 . 6 DA A0 C2 0 -6.4636335 8.934556 -10.179832 1 124 1 +ATOM N N3 . DA A0 1 6 . 6 DA A0 N3 0 -6.8673124 8.712377 -8.923851 1 125 1 +ATOM C C4 . DA A0 1 6 . 6 DA A0 C4 0 -5.964443 9.174685 -8.050486 1 126 1 +ATOM P P . DA A0 1 7 . 7 DA A0 P 0 -8.725676 5.2267523 -3.8111987 1 127 1 +ATOM O OP1 . DA A0 1 7 . 7 DA A0 OP1 0 -7.4552326 4.9601994 -3.1001415 1 128 1 +ATOM O OP2 . DA A0 1 7 . 7 DA A0 OP2 0 -10.01524 4.7484674 -3.2576623 1 129 1 +ATOM O "O5'" . DA A0 1 7 . 7 DA A0 "O5'" 0 -8.590576 4.6628113 -5.2886753 1 130 1 +ATOM C "C5'" . DA A0 1 7 . 7 DA A0 "C5'" 0 -9.564413 5.014477 -6.254532 1 131 1 +ATOM C "C4'" . DA A0 1 7 . 7 DA A0 "C4'" 0 -9.116364 4.6118383 -7.63527 1 132 1 +ATOM O "O4'" . DA A0 1 7 . 7 DA A0 "O4'" 0 -8.0398855 5.4687304 -8.07589 1 133 1 +ATOM C "C3'" . DA A0 1 7 . 7 DA A0 "C3'" 0 -8.596146 3.1730614 -7.7500796 1 134 1 +ATOM O "O3'" . DA A0 1 7 . 7 DA A0 "O3'" 0 -9.348858 2.500347 -8.744299 1 135 1 +ATOM C "C2'" . DA A0 1 7 . 7 DA A0 "C2'" 0 -7.129137 3.3368385 -8.153212 1 136 1 +ATOM C "C1'" . DA A0 1 7 . 7 DA A0 "C1'" 0 -7.1163316 4.698887 -8.811535 1 137 1 +ATOM N N9 . DA A0 1 7 . 7 DA A0 N9 0 -5.833634 5.402094 -8.78667 1 138 1 +ATOM C C8 . DA A0 1 7 . 7 DA A0 C8 0 -5.1012278 5.7711353 -7.6913986 1 139 1 +ATOM N N7 . DA A0 1 7 . 7 DA A0 N7 0 -3.9936123 6.4015865 -7.98367 1 140 1 +ATOM C C5 . DA A0 1 7 . 7 DA A0 C5 0 -3.9901438 6.455452 -9.374384 1 141 1 +ATOM C C6 . DA A0 1 7 . 7 DA A0 C6 0 -3.0801558 6.9950886 -10.299405 1 142 1 +ATOM N N6 . DA A0 1 7 . 7 DA A0 N6 0 -1.9586012 7.6147957 -9.9554615 1 143 1 +ATOM N N1 . DA A0 1 7 . 7 DA A0 N1 0 -3.3774521 6.873148 -11.609465 1 144 1 +ATOM C C2 . DA A0 1 7 . 7 DA A0 C2 0 -4.508109 6.2504683 -11.95887 1 145 1 +ATOM N N3 . DA A0 1 7 . 7 DA A0 N3 0 -5.4445953 5.701549 -11.173458 1 146 1 +ATOM C C4 . DA A0 1 7 . 7 DA A0 C4 0 -5.118186 5.8393183 -9.879379 1 147 1 +ATOM P P . DG A0 1 8 . 8 DG A0 P 0 -9.318975 0.9013566 -8.838302 1 148 1 +ATOM O OP1 . DG A0 1 8 . 8 DG A0 OP1 0 -8.643503 0.321113 -7.6684117 1 149 1 +ATOM O OP2 . DG A0 1 8 . 8 DG A0 OP2 0 -10.713356 0.48586208 -9.187412 1 150 1 +ATOM O "O5'" . DG A0 1 8 . 8 DG A0 "O5'" 0 -8.400449 0.6693512 -10.11261 1 151 1 +ATOM C "C5'" . DG A0 1 8 . 8 DG A0 "C5'" 0 -8.4693165 1.612334 -11.137779 1 152 1 +ATOM C "C4'" . DG A0 1 8 . 8 DG A0 "C4'" 0 -7.4778633 1.3557549 -12.244244 1 153 1 +ATOM O "O4'" . DG A0 1 8 . 8 DG A0 "O4'" 0 -6.3560038 2.2710552 -12.093597 1 154 1 +ATOM C "C3'" . DG A0 1 8 . 8 DG A0 "C3'" 0 -6.875577 -0.04733274 -12.313544 1 155 1 +ATOM O "O3'" . DG A0 1 8 . 8 DG A0 "O3'" 0 -6.8815713 -0.46596533 -13.6674 1 156 1 +ATOM C "C2'" . DG A0 1 8 . 8 DG A0 "C2'" 0 -5.45228 0.1460292 -11.792732 1 157 1 +ATOM C "C1'" . DG A0 1 8 . 8 DG A0 "C1'" 0 -5.150998 1.5578206 -12.227606 1 158 1 +ATOM N N9 . DG A0 1 8 . 8 DG A0 N9 0 -4.1553946 2.2519255 -11.420097 1 159 1 +ATOM C C8 . DG A0 1 8 . 8 DG A0 C8 0 -4.087134 2.3266444 -10.046711 1 160 1 +ATOM N N7 . DG A0 1 8 . 8 DG A0 N7 0 -3.0773962 3.025269 -9.62598 1 161 1 +ATOM C C5 . DG A0 1 8 . 8 DG A0 C5 0 -2.4361763 3.4442697 -10.783472 1 162 1 +ATOM C C6 . DG A0 1 8 . 8 DG A0 C6 0 -1.2770007 4.231156 -10.957759 1 163 1 +ATOM O O6 . DG A0 1 8 . 8 DG A0 O6 0 -0.56140554 4.7451754 -10.081265 1 164 1 +ATOM N N1 . DG A0 1 8 . 8 DG A0 N1 0 -0.97131586 4.4191446 -12.303131 1 165 1 +ATOM C C2 . DG A0 1 8 . 8 DG A0 C2 0 -1.6962949 3.9024634 -13.348173 1 166 1 +ATOM N N2 . DG A0 1 8 . 8 DG A0 N2 0 -1.246494 4.186234 -14.574921 1 167 1 +ATOM N N3 . DG A0 1 8 . 8 DG A0 N3 0 -2.7866986 3.1654634 -13.205961 1 168 1 +ATOM C C4 . DG A0 1 8 . 8 DG A0 C4 0 -3.092536 2.976218 -11.9020605 1 169 1 +ATOM P P . DG A0 1 9 . 9 DG A0 P 0 -6.645937 -1.9960318 -14.053814 1 170 1 +ATOM O OP1 . DG A0 1 9 . 9 DG A0 OP1 0 -6.27693 -2.8197393 -12.885815 1 171 1 +ATOM O OP2 . DG A0 1 9 . 9 DG A0 OP2 0 -7.816542 -2.355443 -14.897459 1 172 1 +ATOM O "O5'" . DG A0 1 9 . 9 DG A0 "O5'" 0 -5.376528 -1.8868514 -14.99554 1 173 1 +ATOM C "C5'" . DG A0 1 9 . 9 DG A0 "C5'" 0 -5.3745575 -0.91904753 -16.009094 1 174 1 +ATOM C "C4'" . DG A0 1 9 . 9 DG A0 "C4'" 0 -4.022029 -0.87663233 -16.68623 1 175 1 +ATOM O "O4'" . DG A0 1 9 . 9 DG A0 "O4'" 0 -3.105425 -0.07908822 -15.909845 1 176 1 +ATOM C "C3'" . DG A0 1 9 . 9 DG A0 "C3'" 0 -3.356688 -2.2352386 -16.852337 1 177 1 +ATOM O "O3'" . DG A0 1 9 . 9 DG A0 "O3'" 0 -2.6564405 -2.2152543 -18.085438 1 178 1 +ATOM C "C2'" . DG A0 1 9 . 9 DG A0 "C2'" 0 -2.3959348 -2.2991264 -15.661432 1 179 1 +ATOM C "C1'" . DG A0 1 9 . 9 DG A0 "C1'" 0 -1.9678444 -0.8504183 -15.562272 1 180 1 +ATOM N N9 . DG A0 1 9 . 9 DG A0 N9 0 -1.5207541 -0.37435913 -14.256534 1 181 1 +ATOM C C8 . DG A0 1 9 . 9 DG A0 C8 0 -2.1091442 -0.5771073 -13.032033 1 182 1 +ATOM N N7 . DG A0 1 9 . 9 DG A0 N7 0 -1.4818556 0.012737401 -12.056469 1 183 1 +ATOM C C5 . DG A0 1 9 . 9 DG A0 C5 0 -0.4135682 0.64854634 -12.666968 1 184 1 +ATOM C C6 . DG A0 1 9 . 9 DG A0 C6 0 0.6214453 1.4494243 -12.113409 1 185 1 +ATOM O O6 . DG A0 1 9 . 9 DG A0 O6 0 0.7991979 1.7796527 -10.942469 1 186 1 +ATOM N N1 . DG A0 1 9 . 9 DG A0 N1 0 1.5107645 1.8924807 -13.095928 1 187 1 +ATOM C C2 . DG A0 1 9 . 9 DG A0 C2 0 1.4101288 1.5998075 -14.4439125 1 188 1 +ATOM N N2 . DG A0 1 9 . 9 DG A0 N2 0 2.3605826 2.1116123 -15.232778 1 189 1 +ATOM N N3 . DG A0 1 9 . 9 DG A0 N3 0 0.44284305 0.8546876 -14.966083 1 190 1 +ATOM C C4 . DG A0 1 9 . 9 DG A0 C4 0 -0.4262963 0.41664153 -14.025562 1 191 1 +ATOM P P . DA A0 1 10 . 10 DA A0 P 0 -2.2045417 -3.584437 -18.818096 1 192 1 +ATOM O OP1 . DA A0 1 10 . 10 DA A0 OP1 0 -2.778626 -4.7647295 -18.125845 1 193 1 +ATOM O OP2 . DA A0 1 10 . 10 DA A0 OP2 0 -2.4755154 -3.3529615 -20.265945 1 194 1 +ATOM O "O5'" . DA A0 1 10 . 10 DA A0 "O5'" 0 -0.6359619 -3.5991182 -18.612043 1 195 1 +ATOM C "C5'" . DA A0 1 10 . 10 DA A0 "C5'" 0 0.09572685 -2.476091 -19.036158 1 196 1 +ATOM C "C4'" . DA A0 1 10 . 10 DA A0 "C4'" 0 1.4749583 -2.492711 -18.441116 1 197 1 +ATOM O "O4'" . DA A0 1 10 . 10 DA A0 "O4'" 0 1.4437747 -1.9611104 -17.09365 1 198 1 +ATOM C "C3'" . DA A0 1 10 . 10 DA A0 "C3'" 0 2.1176472 -3.8859835 -18.335373 1 199 1 +ATOM O "O3'" . DA A0 1 10 . 10 DA A0 "O3'" 0 3.4230638 -3.8158336 -18.864769 1 200 1 +ATOM C "C2'" . DA A0 1 10 . 10 DA A0 "C2'" 0 2.1489773 -4.147148 -16.830845 1 201 1 +ATOM C "C1'" . DA A0 1 10 . 10 DA A0 "C1'" 0 2.3207397 -2.732338 -16.314583 1 202 1 +ATOM N N9 . DA A0 1 10 . 10 DA A0 N9 0 2.0244915 -2.4978435 -14.909487 1 203 1 +ATOM C C8 . DA A0 1 10 . 10 DA A0 C8 0 0.99274755 -2.9962435 -14.147081 1 204 1 +ATOM N N7 . DA A0 1 10 . 10 DA A0 N7 0 1.0206447 -2.60792 -12.890171 1 205 1 +ATOM C C5 . DA A0 1 10 . 10 DA A0 C5 0 2.1455498 -1.7960253 -12.817539 1 206 1 +ATOM C C6 . DA A0 1 10 . 10 DA A0 C6 0 2.7340512 -1.0739019 -11.765076 1 207 1 +ATOM N N6 . DA A0 1 10 . 10 DA A0 N6 0 2.2488627 -1.047739 -10.519206 1 208 1 +ATOM N N1 . DA A0 1 10 . 10 DA A0 N1 0 3.8480077 -0.36441943 -12.027069 1 209 1 +ATOM C C2 . DA A0 1 10 . 10 DA A0 C2 0 4.337694 -0.38593295 -13.276312 1 210 1 +ATOM N N3 . DA A0 1 10 . 10 DA A0 N3 0 3.874109 -1.0303314 -14.354984 1 211 1 +ATOM C C4 . DA A0 1 10 . 10 DA A0 C4 0 2.7643645 -1.7239938 -14.053333 1 212 1 +ATOM P P . DA A0 1 11 . 11 DA A0 P 0 4.1465225 -5.063546 -19.52867 1 213 1 +ATOM O OP1 . DA A0 1 11 . 11 DA A0 OP1 0 3.6050446 -6.309743 -18.926266 1 214 1 +ATOM O OP2 . DA A0 1 11 . 11 DA A0 OP2 0 4.1244774 -4.8613176 -21.003284 1 215 1 +ATOM O "O5'" . DA A0 1 11 . 11 DA A0 "O5'" 0 5.6446476 -4.8726645 -19.035774 1 216 1 +ATOM C "C5'" . DA A0 1 11 . 11 DA A0 "C5'" 0 6.1769576 -3.5659997 -19.002445 1 217 1 +ATOM C "C4'" . DA A0 1 11 . 11 DA A0 "C4'" 0 7.079192 -3.3978167 -17.809162 1 218 1 +ATOM O "O4'" . DA A0 1 11 . 11 DA A0 "O4'" 0 6.302417 -3.2215729 -16.603615 1 219 1 +ATOM C "C3'" . DA A0 1 11 . 11 DA A0 "C3'" 0 8.012548 -4.5831757 -17.550108 1 220 1 +ATOM O "O3'" . DA A0 1 11 . 11 DA A0 "O3'" 0 9.3347435 -4.092963 -17.473793 1 221 1 +ATOM C "C2'" . DA A0 1 11 . 11 DA A0 "C2'" 0 7.5201993 -5.148857 -16.217459 1 222 1 +ATOM C "C1'" . DA A0 1 11 . 11 DA A0 "C1'" 0 6.9480515 -3.9056451 -15.562978 1 223 1 +ATOM N N9 . DA A0 1 11 . 11 DA A0 N9 0 6.0042496 -4.1266313 -14.478672 1 224 1 +ATOM C C8 . DA A0 1 11 . 11 DA A0 C8 0 4.8871346 -4.921271 -14.4710655 1 225 1 +ATOM N N7 . DA A0 1 11 . 11 DA A0 N7 0 4.254595 -4.9244313 -13.319069 1 226 1 +ATOM C C5 . DA A0 1 11 . 11 DA A0 C5 0 5.010052 -4.07401 -12.518693 1 227 1 +ATOM C C6 . DA A0 1 11 . 11 DA A0 C6 0 4.8678856 -3.6547039 -11.184999 1 228 1 +ATOM N N6 . DA A0 1 11 . 11 DA A0 N6 0 3.879387 -4.052025 -10.379758 1 229 1 +ATOM N N1 . DA A0 1 11 . 11 DA A0 N1 0 5.791432 -2.8060365 -10.694431 1 230 1 +ATOM C C2 . DA A0 1 11 . 11 DA A0 C2 0 6.786235 -2.4063168 -11.4960375 1 231 1 +ATOM N N3 . DA A0 1 11 . 11 DA A0 N3 0 7.018567 -2.7310927 -12.766487 1 232 1 +ATOM C C4 . DA A0 1 11 . 11 DA A0 C4 0 6.084713 -3.5789275 -13.222331 1 233 1 +ATOM P P . DG A0 1 12 . 12 DG A0 P 0 10.586459 -5.0290756 -17.203419 1 234 1 +ATOM O OP1 . DG A0 1 12 . 12 DG A0 OP1 0 10.108892 -6.4299974 -17.095505 1 235 1 +ATOM O OP2 . DG A0 1 12 . 12 DG A0 OP2 0 11.638298 -4.6682386 -18.180859 1 236 1 +ATOM O "O5'" . DG A0 1 12 . 12 DG A0 "O5'" 0 11.065626 -4.54788 -15.765356 1 237 1 +ATOM C "C5'" . DG A0 1 12 . 12 DG A0 "C5'" 0 11.125311 -3.1634717 -15.465815 1 238 1 +ATOM C "C4'" . DG A0 1 12 . 12 DG A0 "C4'" 0 11.654089 -2.9586184 -14.0665245 1 239 1 +ATOM O "O4'" . DG A0 1 12 . 12 DG A0 "O4'" 0 10.57759 -3.1167455 -13.097057 1 240 1 +ATOM C "C3'" . DG A0 1 12 . 12 DG A0 "C3'" 0 12.737364 -3.9506125 -13.672081 1 241 1 +ATOM O "O3'" . DG A0 1 12 . 12 DG A0 "O3'" 0 13.756436 -3.273312 -12.962783 1 242 1 +ATOM C "C2'" . DG A0 1 12 . 12 DG A0 "C2'" 0 11.998733 -4.9595814 -12.796953 1 243 1 +ATOM C "C1'" . DG A0 1 12 . 12 DG A0 "C1'" 0 10.933058 -4.0964723 -12.144542 1 244 1 +ATOM N N9 . DG A0 1 12 . 12 DG A0 N9 0 9.709957 -4.7985916 -11.760914 1 245 1 +ATOM C C8 . DG A0 1 12 . 12 DG A0 C8 0 8.899555 -5.5637865 -12.563763 1 246 1 +ATOM N N7 . DG A0 1 12 . 12 DG A0 N7 0 7.8689966 -6.05002 -11.935667 1 247 1 +ATOM C C5 . DG A0 1 12 . 12 DG A0 C5 0 8.00131 -5.5745096 -10.638323 1 248 1 +ATOM C C6 . DG A0 1 12 . 12 DG A0 C6 0 7.1836796 -5.770008 -9.498881 1 249 1 +ATOM O O6 . DG A0 1 12 . 12 DG A0 O6 0 6.1353455 -6.419195 -9.405856 1 250 1 +ATOM N N1 . DG A0 1 12 . 12 DG A0 N1 0 7.689398 -5.119279 -8.375874 1 251 1 +ATOM C C2 . DG A0 1 12 . 12 DG A0 C2 0 8.838541 -4.3644004 -8.357965 1 252 1 +ATOM N N2 . DG A0 1 12 . 12 DG A0 N2 0 9.1621275 -3.8070107 -7.1788282 1 253 1 +ATOM N N3 . DG A0 1 12 . 12 DG A0 N3 0 9.609325 -4.165761 -9.414108 1 254 1 +ATOM C C4 . DG A0 1 12 . 12 DG A0 C4 0 9.132534 -4.8004813 -10.516663 1 255 1 +ATOM P P . DT A0 1 13 . 13 DT A0 P 0 15.047623 -4.073657 -12.50335 1 256 1 +ATOM O OP1 . DT A0 1 13 . 13 DT A0 OP1 0 15.045298 -5.4229455 -13.1238985 1 257 1 +ATOM O OP2 . DT A0 1 13 . 13 DT A0 OP2 0 16.213049 -3.173563 -12.6778145 1 258 1 +ATOM O "O5'" . DT A0 1 13 . 13 DT A0 "O5'" 0 14.785549 -4.2662973 -10.955486 1 259 1 +ATOM C "C5'" . DT A0 1 13 . 13 DT A0 "C5'" 0 14.215174 -3.213738 -10.215506 1 260 1 +ATOM C "C4'" . DT A0 1 13 . 13 DT A0 "C4'" 0 14.302435 -3.5243826 -8.734374 1 261 1 +ATOM O "O4'" . DT A0 1 13 . 13 DT A0 "O4'" 0 13.085073 -4.181569 -8.301318 1 262 1 +ATOM C "C3'" . DT A0 1 13 . 13 DT A0 "C3'" 0 15.448086 -4.453747 -8.360642 1 263 1 +ATOM O "O3'" . DT A0 1 13 . 13 DT A0 "O3'" 0 16.06607 -3.9480994 -7.201403 1 264 1 +ATOM C "C2'" . DT A0 1 13 . 13 DT A0 "C2'" 0 14.771297 -5.8068933 -8.141525 1 265 1 +ATOM C "C1'" . DT A0 1 13 . 13 DT A0 "C1'" 0 13.388897 -5.403117 -7.6637464 1 266 1 +ATOM N N1 . DT A0 1 13 . 13 DT A0 N1 0 12.270655 -6.3302727 -7.9908047 1 267 1 +ATOM C C2 . DT A0 1 13 . 13 DT A0 C2 0 11.366648 -6.6348686 -6.9951005 1 268 1 +ATOM O O2 . DT A0 1 13 . 13 DT A0 O2 0 11.455568 -6.219022 -5.8554864 1 269 1 +ATOM N N3 . DT A0 1 13 . 13 DT A0 N3 0 10.337303 -7.4484954 -7.3842115 1 270 1 +ATOM C C4 . DT A0 1 13 . 13 DT A0 C4 0 10.129793 -7.9730377 -8.64274 1 271 1 +ATOM O O4 . DT A0 1 13 . 13 DT A0 O4 0 9.163994 -8.689903 -8.878969 1 272 1 +ATOM C C5 . DT A0 1 13 . 13 DT A0 C5 0 11.122117 -7.621626 -9.632109 1 273 1 +ATOM C C7 . DT A0 1 13 . 13 DT A0 C7 0 10.991709 -8.148773 -11.024664 1 274 1 +ATOM C C6 . DT A0 1 13 . 13 DT A0 C6 0 12.129412 -6.8223524 -9.2647085 1 275 1 +ATOM P P . DG A0 1 14 . 14 DG A0 P 0 17.429628 -4.562228 -6.648469 1 276 1 +ATOM O OP1 . DG A0 1 14 . 14 DG A0 OP1 0 18.007149 -5.416562 -7.7078657 1 277 1 +ATOM O OP2 . DG A0 1 14 . 14 DG A0 OP2 0 18.220234 -3.463798 -6.0432754 1 278 1 +ATOM O "O5'" . DG A0 1 14 . 14 DG A0 "O5'" 0 16.90652 -5.4896193 -5.485696 1 279 1 +ATOM C "C5'" . DG A0 1 14 . 14 DG A0 "C5'" 0 16.137077 -4.9075675 -4.4540787 1 280 1 +ATOM C "C4'" . DG A0 1 14 . 14 DG A0 "C4'" 0 15.798151 -5.963084 -3.4284244 1 281 1 +ATOM O "O4'" . DG A0 1 14 . 14 DG A0 "O4'" 0 14.69281 -6.770339 -3.897177 1 282 1 +ATOM C "C3'" . DG A0 1 14 . 14 DG A0 "C3'" 0 16.938091 -6.9359417 -3.1500163 1 283 1 +ATOM O "O3'" . DG A0 1 14 . 14 DG A0 "O3'" 0 16.92131 -7.205742 -1.7717032 1 284 1 +ATOM C "C2'" . DG A0 1 14 . 14 DG A0 "C2'" 0 16.569729 -8.155442 -3.988553 1 285 1 +ATOM C "C1'" . DG A0 1 14 . 14 DG A0 "C1'" 0 15.064962 -8.128918 -3.8889499 1 286 1 +ATOM N N9 . DG A0 1 14 . 14 DG A0 N9 0 14.321632 -8.76821 -4.9616084 1 287 1 +ATOM C C8 . DG A0 1 14 . 14 DG A0 C8 0 14.672352 -8.928759 -6.2766447 1 288 1 +ATOM N N7 . DG A0 1 14 . 14 DG A0 N7 0 13.76427 -9.526715 -6.9877806 1 289 1 +ATOM C C5 . DG A0 1 14 . 14 DG A0 C5 0 12.739841 -9.778822 -6.089562 1 290 1 +ATOM C C6 . DG A0 1 14 . 14 DG A0 C6 0 11.486475 -10.405997 -6.272528 1 291 1 +ATOM O O6 . DG A0 1 14 . 14 DG A0 O6 0 11.005732 -10.876415 -7.312154 1 292 1 +ATOM N N1 . DG A0 1 14 . 14 DG A0 N1 0 10.751885 -10.456713 -5.0963516 1 293 1 +ATOM C C2 . DG A0 1 14 . 14 DG A0 C2 0 11.17173 -9.958061 -3.8867207 1 294 1 +ATOM N N2 . DG A0 1 14 . 14 DG A0 N2 0 10.328611 -10.09329 -2.8628201 1 295 1 +ATOM N N3 . DG A0 1 14 . 14 DG A0 N3 0 12.343649 -9.367415 -3.7025983 1 296 1 +ATOM C C4 . DG A0 1 14 . 14 DG A0 C4 0 13.073905 -9.314247 -4.84081 1 297 1 +ATOM P P . DG A0 1 15 . 15 DG A0 P 0 18.060947 -8.019526 -1.0697584 1 298 1 +ATOM O OP1 . DG A0 1 15 . 15 DG A0 OP1 0 18.789303 -8.814365 -2.087452 1 299 1 +ATOM O OP2 . DG A0 1 15 . 15 DG A0 OP2 0 18.802565 -7.106427 -0.1672641 1 300 1 +ATOM O "O5'" . DG A0 1 15 . 15 DG A0 "O5'" 0 17.204895 -9.005997 -0.17573406 1 301 1 +ATOM C "C5'" . DG A0 1 15 . 15 DG A0 "C5'" 0 16.067318 -8.522501 0.51167274 1 302 1 +ATOM C "C4'" . DG A0 1 15 . 15 DG A0 "C4'" 0 15.22704 -9.705193 0.9444706 1 303 1 +ATOM O "O4'" . DG A0 1 15 . 15 DG A0 "O4'" 0 14.44458 -10.176488 -0.1860874 1 304 1 +ATOM C "C3'" . DG A0 1 15 . 15 DG A0 "C3'" 0 16.065554 -10.891302 1.4143484 1 305 1 +ATOM O "O3'" . DG A0 1 15 . 15 DG A0 "O3'" 0 15.465302 -11.469652 2.5547643 1 306 1 +ATOM C "C2'" . DG A0 1 15 . 15 DG A0 "C2'" 0 16.055365 -11.82304 0.21064529 1 307 1 +ATOM C "C1'" . DG A0 1 15 . 15 DG A0 "C1'" 0 14.698677 -11.5462475 -0.39364564 1 308 1 +ATOM N N9 . DG A0 1 15 . 15 DG A0 N9 0 14.60184 -11.80672 -1.825113 1 309 1 +ATOM C C8 . DG A0 1 15 . 15 DG A0 C8 0 15.511379 -11.493305 -2.7981558 1 310 1 +ATOM N N7 . DG A0 1 15 . 15 DG A0 N7 0 15.148137 -11.867139 -3.991592 1 311 1 +ATOM C C5 . DG A0 1 15 . 15 DG A0 C5 0 13.911039 -12.460573 -3.7970839 1 312 1 +ATOM C C6 . DG A0 1 15 . 15 DG A0 C6 0 13.023338 -13.055982 -4.719353 1 313 1 +ATOM O O6 . DG A0 1 15 . 15 DG A0 O6 0 13.160799 -13.17914 -5.9426155 1 314 1 +ATOM N N1 . DG A0 1 15 . 15 DG A0 N1 0 11.873928 -13.541216 -4.1069546 1 315 1 +ATOM C C2 . DG A0 1 15 . 15 DG A0 C2 0 11.615488 -13.45579 -2.7615302 1 316 1 +ATOM N N2 . DG A0 1 15 . 15 DG A0 N2 0 10.454709 -13.972937 -2.351558 1 317 1 +ATOM N N3 . DG A0 1 15 . 15 DG A0 N3 0 12.439074 -12.903364 -1.8833699 1 318 1 +ATOM C C4 . DG A0 1 15 . 15 DG A0 C4 0 13.55947 -12.4244995 -2.4690037 1 319 1 +ATOM P P . DG A0 1 16 . 16 DG A0 P 0 16.07536 -12.803923 3.1751168 1 320 1 +ATOM O OP1 . DG A0 1 16 . 16 DG A0 OP1 0 17.318165 -13.135199 2.4324393 1 321 1 +ATOM O OP2 . DG A0 1 16 . 16 DG A0 OP2 0 16.092508 -12.683284 4.6434107 1 322 1 +ATOM O "O5'" . DG A0 1 16 . 16 DG A0 "O5'" 0 14.973483 -13.860411 2.7472634 1 323 1 +ATOM C "C5'" . DG A0 1 16 . 16 DG A0 "C5'" 0 13.593149 -13.6258335 3.0128777 1 324 1 +ATOM C "C4'" . DG A0 1 16 . 16 DG A0 "C4'" 0 12.792358 -14.850495 2.6153255 1 325 1 +ATOM O "O4'" . DG A0 1 16 . 16 DG A0 "O4'" 0 12.725762 -14.925845 1.1649759 1 326 1 +ATOM C "C3'" . DG A0 1 16 . 16 DG A0 "C3'" 0 13.407649 -16.162582 3.0768552 1 327 1 +ATOM O "O3'" . DG A0 1 16 . 16 DG A0 "O3'" 0 12.377213 -17.09184 3.3357003 1 328 1 +ATOM C "C2'" . DG A0 1 16 . 16 DG A0 "C2'" 0 14.214148 -16.597378 1.8629427 1 329 1 +ATOM C "C1'" . DG A0 1 16 . 16 DG A0 "C1'" 0 13.30752 -16.14579 0.7354569 1 330 1 +ATOM N N9 . DG A0 1 16 . 16 DG A0 N9 0 13.969063 -15.903929 -0.5452117 1 331 1 +ATOM C C8 . DG A0 1 16 . 16 DG A0 C8 0 15.170574 -15.2982235 -0.76144505 1 332 1 +ATOM N N7 . DG A0 1 16 . 16 DG A0 N7 0 15.49571 -15.227689 -2.0243802 1 333 1 +ATOM C C5 . DG A0 1 16 . 16 DG A0 C5 0 14.428593 -15.824993 -2.6827712 1 334 1 +ATOM C C6 . DG A0 1 16 . 16 DG A0 C6 0 14.210622 -16.048668 -4.063093 1 335 1 +ATOM O O6 . DG A0 1 16 . 16 DG A0 O6 0 14.935362 -15.746008 -5.0118537 1 336 1 +ATOM N N1 . DG A0 1 16 . 16 DG A0 N1 0 13.003535 -16.696272 -4.303746 1 337 1 +ATOM C C2 . DG A0 1 16 . 16 DG A0 C2 0 12.113092 -17.074219 -3.3274086 1 338 1 +ATOM N N2 . DG A0 1 16 . 16 DG A0 N2 0 10.997978 -17.688087 -3.7528622 1 339 1 +ATOM N N3 . DG A0 1 16 . 16 DG A0 N3 0 12.305194 -16.875385 -2.0294032 1 340 1 +ATOM C C4 . DG A0 1 16 . 16 DG A0 C4 0 13.480765 -16.242922 -1.7855515 1 341 1 +ATOM O OP3 . DT B0 2 1 . 1 DT B0 OP3 0 15.133347 -17.323984 -15.008078 1 342 1 +ATOM P P . DT B0 2 1 . 1 DT B0 P 0 16.485546 -18.251137 -14.760454 1 343 1 +ATOM O OP1 . DT B0 2 1 . 1 DT B0 OP1 0 17.203209 -17.063549 -14.323968 1 344 1 +ATOM O OP2 . DT B0 2 1 . 1 DT B0 OP2 0 16.310093 -18.888626 -15.93811 1 345 1 +ATOM O "O5'" . DT B0 2 1 . 1 DT B0 "O5'" 0 16.111567 -19.328455 -13.516336 1 346 1 +ATOM C "C5'" . DT B0 2 1 . 1 DT B0 "C5'" 0 15.736553 -20.60979 -13.934769 1 347 1 +ATOM C "C4'" . DT B0 2 1 . 1 DT B0 "C4'" 0 14.49474 -21.07665 -13.14001 1 348 1 +ATOM O "O4'" . DT B0 2 1 . 1 DT B0 "O4'" 0 14.90995 -21.284096 -11.76829 1 349 1 +ATOM C "C3'" . DT B0 2 1 . 1 DT B0 "C3'" 0 13.39878 -20.036312 -13.124172 1 350 1 +ATOM O "O3'" . DT B0 2 1 . 1 DT B0 "O3'" 0 12.139183 -20.594025 -13.486712 1 351 1 +ATOM C "C2'" . DT B0 2 1 . 1 DT B0 "C2'" 0 13.353642 -19.51519 -11.683228 1 352 1 +ATOM C "C1'" . DT B0 2 1 . 1 DT B0 "C1'" 0 14.0545 -20.587246 -10.875297 1 353 1 +ATOM N N1 . DT B0 2 1 . 1 DT B0 N1 0 14.873413 -19.951742 -9.8068905 1 354 1 +ATOM C C2 . DT B0 2 1 . 1 DT B0 C2 0 14.542697 -20.135788 -8.486877 1 355 1 +ATOM O O2 . DT B0 2 1 . 1 DT B0 O2 0 13.628672 -20.84843 -8.106926 1 356 1 +ATOM N N3 . DT B0 2 1 . 1 DT B0 N3 0 15.329016 -19.465714 -7.599371 1 357 1 +ATOM C C4 . DT B0 2 1 . 1 DT B0 C4 0 16.391558 -18.631178 -7.900233 1 358 1 +ATOM O O4 . DT B0 2 1 . 1 DT B0 O4 0 17.03102 -18.06099 -7.022604 1 359 1 +ATOM C C5 . DT B0 2 1 . 1 DT B0 C5 0 16.685846 -18.482536 -9.292648 1 360 1 +ATOM C C7 . DT B0 2 1 . 1 DT B0 C7 0 17.824291 -17.593578 -9.731984 1 361 1 +ATOM C C6 . DT B0 2 1 . 1 DT B0 C6 0 15.924269 -19.142605 -10.17333 1 362 1 +ATOM P P . DC B0 2 2 . 2 DC B0 P 0 10.959093 -19.442047 -13.787106 1 363 1 +ATOM O OP1 . DC B0 2 2 . 2 DC B0 OP1 0 11.534721 -18.072582 -13.770629 1 364 1 +ATOM O OP2 . DC B0 2 2 . 2 DC B0 OP2 0 10.202831 -19.904678 -14.963806 1 365 1 +ATOM O "O5'" . DC B0 2 2 . 2 DC B0 "O5'" 0 10.045963 -19.603973 -12.490873 1 366 1 +ATOM C "C5'" . DC B0 2 2 . 2 DC B0 "C5'" 0 9.851892 -20.882309 -11.904442 1 367 1 +ATOM C "C4'" . DC B0 2 2 . 2 DC B0 "C4'" 0 9.180296 -20.727474 -10.556166 1 368 1 +ATOM O "O4'" . DC B0 2 2 . 2 DC B0 "O4'" 0 10.176296 -20.348103 -9.548272 1 369 1 +ATOM C "C3'" . DC B0 2 2 . 2 DC B0 "C3'" 0 8.105551 -19.643211 -10.522108 1 370 1 +ATOM O "O3'" . DC B0 2 2 . 2 DC B0 "O3'" 0 6.975148 -20.082047 -9.774791 1 371 1 +ATOM C "C2'" . DC B0 2 2 . 2 DC B0 "C2'" 0 8.795847 -18.470318 -9.830256 1 372 1 +ATOM C "C1'" . DC B0 2 2 . 2 DC B0 "C1'" 0 9.764824 -19.167873 -8.884986 1 373 1 +ATOM N N1 . DC B0 2 2 . 2 DC B0 N1 0 10.971603 -18.363647 -8.567833 1 374 1 +ATOM C C2 . DC B0 2 2 . 2 DC B0 C2 0 11.297736 -18.10376 -7.2309628 1 375 1 +ATOM O O2 . DC B0 2 2 . 2 DC B0 O2 0 10.566144 -18.563835 -6.334471 1 376 1 +ATOM N N3 . DC B0 2 2 . 2 DC B0 N3 0 12.391654 -17.358139 -6.9475293 1 377 1 +ATOM C C4 . DC B0 2 2 . 2 DC B0 C4 0 13.138962 -16.892918 -7.9414544 1 378 1 +ATOM N N4 . DC B0 2 2 . 2 DC B0 N4 0 14.214588 -16.162752 -7.621642 1 379 1 +ATOM C C5 . DC B0 2 2 . 2 DC B0 C5 0 12.840105 -17.140633 -9.312719 1 380 1 +ATOM C C6 . DC B0 2 2 . 2 DC B0 C6 0 11.753707 -17.8792 -9.575892 1 381 1 +ATOM P P . DC B0 2 3 . 3 DC B0 P 0 5.622857 -19.231068 -9.843649 1 382 1 +ATOM O OP1 . DC B0 2 3 . 3 DC B0 OP1 0 5.844511 -18.010395 -10.665896 1 383 1 +ATOM O OP2 . DC B0 2 3 . 3 DC B0 OP2 0 4.5833015 -20.212925 -10.246159 1 384 1 +ATOM O "O5'" . DC B0 2 3 . 3 DC B0 "O5'" 0 5.3272696 -18.751644 -8.346718 1 385 1 +ATOM C "C5'" . DC B0 2 3 . 3 DC B0 "C5'" 0 5.9741898 -19.370094 -7.244604 1 386 1 +ATOM C "C4'" . DC B0 2 3 . 3 DC B0 "C4'" 0 5.734643 -18.532833 -5.9988594 1 387 1 +ATOM O "O4'" . DC B0 2 3 . 3 DC B0 "O4'" 0 6.968406 -17.835217 -5.645637 1 388 1 +ATOM C "C3'" . DC B0 2 3 . 3 DC B0 "C3'" 0 4.671508 -17.44883 -6.16245 1 389 1 +ATOM O "O3'" . DC B0 2 3 . 3 DC B0 "O3'" 0 3.9311204 -17.309855 -4.9561844 1 390 1 +ATOM C "C2'" . DC B0 2 3 . 3 DC B0 "C2'" 0 5.4827194 -16.184767 -6.45183 1 391 1 +ATOM C "C1'" . DC B0 2 3 . 3 DC B0 "C1'" 0 6.7584767 -16.436085 -5.6651483 1 392 1 +ATOM N N1 . DC B0 2 3 . 3 DC B0 N1 0 7.960209 -15.805989 -6.2638426 1 393 1 +ATOM C C2 . DC B0 2 3 . 3 DC B0 C2 0 8.917037 -15.216891 -5.432805 1 394 1 +ATOM O O2 . DC B0 2 3 . 3 DC B0 O2 0 8.746264 -15.240803 -4.205447 1 395 1 +ATOM N N3 . DC B0 2 3 . 3 DC B0 N3 0 10.003638 -14.641717 -5.995322 1 396 1 +ATOM C C4 . DC B0 2 3 . 3 DC B0 C4 0 10.149826 -14.646093 -7.324711 1 397 1 +ATOM N N4 . DC B0 2 3 . 3 DC B0 N4 0 11.235651 -14.069684 -7.837489 1 398 1 +ATOM C C5 . DC B0 2 3 . 3 DC B0 C5 0 9.187733 -15.242222 -8.191246 1 399 1 +ATOM C C6 . DC B0 2 3 . 3 DC B0 C6 0 8.118626 -15.804092 -7.6192884 1 400 1 +ATOM P P . DC B0 2 4 . 4 DC B0 P 0 2.7002394 -16.26934 -4.8734846 1 401 1 +ATOM O OP1 . DC B0 2 4 . 4 DC B0 OP1 0 2.674026 -15.391682 -6.0699644 1 402 1 +ATOM O OP2 . DC B0 2 4 . 4 DC B0 OP2 0 1.5291221 -17.11488 -4.545373 1 403 1 +ATOM O "O5'" . DC B0 2 4 . 4 DC B0 "O5'" 0 3.0445342 -15.359507 -3.6182923 1 404 1 +ATOM C "C5'" . DC B0 2 4 . 4 DC B0 "C5'" 0 4.0087547 -15.798983 -2.6802478 1 405 1 +ATOM C "C4'" . DC B0 2 4 . 4 DC B0 "C4'" 0 4.565116 -14.625421 -1.9054502 1 406 1 +ATOM O "O4'" . DC B0 2 4 . 4 DC B0 "O4'" 0 5.7401304 -14.090846 -2.5728683 1 407 1 +ATOM C "C3'" . DC B0 2 4 . 4 DC B0 "C3'" 0 3.6139936 -13.452633 -1.748531 1 408 1 +ATOM O "O3'" . DC B0 2 4 . 4 DC B0 "O3'" 0 3.850583 -12.886385 -0.4738647 1 409 1 +ATOM C "C2'" . DC B0 2 4 . 4 DC B0 "C2'" 0 4.0437202 -12.491996 -2.8634353 1 410 1 +ATOM C "C1'" . DC B0 2 4 . 4 DC B0 "C1'" 0 5.545457 -12.718586 -2.8752546 1 411 1 +ATOM N N1 . DC B0 2 4 . 4 DC B0 N1 0 6.2548065 -12.468414 -4.151272 1 412 1 +ATOM C C2 . DC B0 2 4 . 4 DC B0 C2 0 7.525647 -11.903944 -4.1069508 1 413 1 +ATOM O O2 . DC B0 2 4 . 4 DC B0 O2 0 8.021743 -11.603355 -3.0125728 1 414 1 +ATOM N N3 . DC B0 2 4 . 4 DC B0 N3 0 8.192964 -11.707191 -5.2644577 1 415 1 +ATOM C C4 . DC B0 2 4 . 4 DC B0 C4 0 7.6376567 -12.049492 -6.4319143 1 416 1 +ATOM N N4 . DC B0 2 4 . 4 DC B0 N4 0 8.3279295 -11.842368 -7.5464897 1 417 1 +ATOM C C5 . DC B0 2 4 . 4 DC B0 C5 0 6.3343916 -12.625808 -6.495142 1 418 1 +ATOM C C6 . DC B0 2 4 . 4 DC B0 C6 0 5.689624 -12.814504 -5.3420277 1 419 1 +ATOM P P . DA B0 2 5 . 5 DA B0 P 0 2.6639915 -12.20788 0.3593879 1 420 1 +ATOM O OP1 . DA B0 2 5 . 5 DA B0 OP1 0 1.4501989 -12.112015 -0.49518862 1 421 1 +ATOM O OP2 . DA B0 2 5 . 5 DA B0 OP2 0 2.6110697 -12.877457 1.6791241 1 422 1 +ATOM O "O5'" . DA B0 2 5 . 5 DA B0 "O5'" 0 3.2236736 -10.74485 0.5815053 1 423 1 +ATOM C "C5'" . DA B0 2 5 . 5 DA B0 "C5'" 0 4.497139 -10.573428 1.1754715 1 424 1 +ATOM C "C4'" . DA B0 2 5 . 5 DA B0 "C4'" 0 5.0916815 -9.264833 0.73853385 1 425 1 +ATOM O "O4'" . DA B0 2 5 . 5 DA B0 "O4'" 0 5.5900126 -9.377389 -0.61695445 1 426 1 +ATOM C "C3'" . DA B0 2 5 . 5 DA B0 "C3'" 0 4.1170692 -8.078608 0.7348126 1 427 1 +ATOM O "O3'" . DA B0 2 5 . 5 DA B0 "O3'" 0 4.7854424 -6.9682627 1.3062266 1 428 1 +ATOM C "C2'" . DA B0 2 5 . 5 DA B0 "C2'" 0 3.8334634 -7.8681746 -0.757473 1 429 1 +ATOM C "C1'" . DA B0 2 5 . 5 DA B0 "C1'" 0 5.1856833 -8.243271 -1.3348354 1 430 1 +ATOM N N9 . DA B0 2 5 . 5 DA B0 N9 0 5.2505827 -8.535105 -2.753697 1 431 1 +ATOM C C8 . DA B0 2 5 . 5 DA B0 C8 0 4.2815332 -9.062981 -3.569473 1 432 1 +ATOM N N7 . DA B0 2 5 . 5 DA B0 N7 0 4.642481 -9.19338 -4.822584 1 433 1 +ATOM C C5 . DA B0 2 5 . 5 DA B0 C5 0 5.9494743 -8.7234 -4.833576 1 434 1 +ATOM C C6 . DA B0 2 5 . 5 DA B0 C6 0 6.898533 -8.598838 -5.8645496 1 435 1 +ATOM N N6 . DA B0 2 5 . 5 DA B0 N6 0 6.6725287 -8.948248 -7.125993 1 436 1 +ATOM N N1 . DA B0 2 5 . 5 DA B0 N1 0 8.112845 -8.096999 -5.53849 1 437 1 +ATOM C C2 . DA B0 2 5 . 5 DA B0 C2 0 8.341848 -7.7473516 -4.266956 1 438 1 +ATOM N N3 . DA B0 2 5 . 5 DA B0 N3 0 7.524089 -7.822563 -3.2158575 1 439 1 +ATOM C C4 . DA B0 2 5 . 5 DA B0 C4 0 6.331689 -8.321463 -3.5730782 1 440 1 +ATOM P P . DC B0 2 6 . 6 DC B0 P 0 3.9318128 -5.749544 1.8961802 1 441 1 +ATOM O OP1 . DC B0 2 6 . 6 DC B0 OP1 0 2.7302449 -6.289712 2.5679114 1 442 1 +ATOM O OP2 . DC B0 2 6 . 6 DC B0 OP2 0 4.874245 -4.880678 2.6732512 1 443 1 +ATOM O "O5'" . DC B0 2 6 . 6 DC B0 "O5'" 0 3.4774184 -5.0077634 0.57386225 1 444 1 +ATOM C "C5'" . DC B0 2 6 . 6 DC B0 "C5'" 0 4.0292253 -3.779398 0.19264218 1 445 1 +ATOM C "C4'" . DC B0 2 6 . 6 DC B0 "C4'" 0 5.4081154 -3.8958716 -0.39088777 1 446 1 +ATOM O "O4'" . DC B0 2 6 . 6 DC B0 "O4'" 0 5.4230814 -4.833999 -1.5030828 1 447 1 +ATOM C "C3'" . DC B0 2 6 . 6 DC B0 "C3'" 0 5.9329524 -2.5812304 -0.95324194 1 448 1 +ATOM O "O3'" . DC B0 2 6 . 6 DC B0 "O3'" 0 7.2671976 -2.3581452 -0.5567001 1 449 1 +ATOM C "C2'" . DC B0 2 6 . 6 DC B0 "C2'" 0 5.8568573 -2.7856786 -2.463753 1 450 1 +ATOM C "C1'" . DC B0 2 6 . 6 DC B0 "C1'" 0 6.0859528 -4.262147 -2.5982945 1 451 1 +ATOM N N1 . DC B0 2 6 . 6 DC B0 N1 0 5.561963 -4.8217134 -3.8773336 1 452 1 +ATOM C C2 . DC B0 2 6 . 6 DC B0 C2 0 6.414573 -4.9102836 -4.9804134 1 453 1 +ATOM O O2 . DC B0 2 6 . 6 DC B0 O2 0 7.587062 -4.550993 -4.8744183 1 454 1 +ATOM N N3 . DC B0 2 6 . 6 DC B0 N3 0 5.9266005 -5.397876 -6.144042 1 455 1 +ATOM C C4 . DC B0 2 6 . 6 DC B0 C4 0 4.6527376 -5.7888556 -6.2324896 1 456 1 +ATOM N N4 . DC B0 2 6 . 6 DC B0 N4 0 4.228689 -6.268529 -7.39491 1 457 1 +ATOM C C5 . DC B0 2 6 . 6 DC B0 C5 0 3.7795262 -5.707847 -5.10553 1 458 1 +ATOM C C6 . DC B0 2 6 . 6 DC B0 C6 0 4.268423 -5.220995 -3.9583194 1 459 1 +ATOM P P . DT B0 2 7 . 7 DT B0 P 0 7.8469596 -0.83433187 -0.58239007 1 460 1 +ATOM O OP1 . DT B0 2 7 . 7 DT B0 OP1 0 6.7450213 0.13671662 -0.36590204 1 461 1 +ATOM O OP2 . DT B0 2 7 . 7 DT B0 OP2 0 9.050091 -0.8217448 0.2936771 1 462 1 +ATOM O "O5'" . DT B0 2 7 . 7 DT B0 "O5'" 0 8.316625 -0.6689311 -2.0979767 1 463 1 +ATOM C "C5'" . DT B0 2 7 . 7 DT B0 "C5'" 0 9.441181 -1.3788885 -2.5590959 1 464 1 +ATOM C "C4'" . DT B0 2 7 . 7 DT B0 "C4'" 0 9.812244 -0.9274781 -3.9672117 1 465 1 +ATOM O "O4'" . DT B0 2 7 . 7 DT B0 "O4'" 0 8.902133 -1.516648 -4.929496 1 466 1 +ATOM C "C3'" . DT B0 2 7 . 7 DT B0 "C3'" 0 9.76428 0.5857452 -4.215164 1 467 1 +ATOM O "O3'" . DT B0 2 7 . 7 DT B0 "O3'" 0 10.9338665 0.8966625 -4.9697466 1 468 1 +ATOM C "C2'" . DT B0 2 7 . 7 DT B0 "C2'" 0 8.484522 0.7842013 -5.0405254 1 469 1 +ATOM C "C1'" . DT B0 2 7 . 7 DT B0 "C1'" 0 8.442867 -0.51785386 -5.82872 1 470 1 +ATOM N N1 . DT B0 2 7 . 7 DT B0 N1 0 7.141445 -1.0200474 -6.3362494 1 471 1 +ATOM C C2 . DT B0 2 7 . 7 DT B0 C2 0 7.106713 -1.4704461 -7.6372375 1 472 1 +ATOM O O2 . DT B0 2 7 . 7 DT B0 O2 0 8.064436 -1.393261 -8.393991 1 473 1 +ATOM N N3 . DT B0 2 7 . 7 DT B0 N3 0 5.9180417 -2.0208607 -8.030033 1 474 1 +ATOM C C4 . DT B0 2 7 . 7 DT B0 C4 0 4.780698 -2.162908 -7.2639737 1 475 1 +ATOM O O4 . DT B0 2 7 . 7 DT B0 O4 0 3.7728415 -2.6950283 -7.7256513 1 476 1 +ATOM C C5 . DT B0 2 7 . 7 DT B0 C5 0 4.872077 -1.6644123 -5.9127707 1 477 1 +ATOM C C7 . DT B0 2 7 . 7 DT B0 C7 0 3.6860757 -1.7642717 -5.0038204 1 478 1 +ATOM C C6 . DT B0 2 7 . 7 DT B0 C6 0 6.0375776 -1.1228204 -5.521984 1 479 1 +ATOM P P . DT B0 2 8 . 8 DT B0 P 0 11.470357 2.382626 -5.1270084 1 480 1 +ATOM O OP1 . DT B0 2 8 . 8 DT B0 OP1 0 10.677254 3.302888 -4.2806616 1 481 1 +ATOM O OP2 . DT B0 2 8 . 8 DT B0 OP2 0 12.953206 2.3136153 -4.9779754 1 482 1 +ATOM O "O5'" . DT B0 2 8 . 8 DT B0 "O5'" 0 11.13521 2.7098098 -6.6508536 1 483 1 +ATOM C "C5'" . DT B0 2 8 . 8 DT B0 "C5'" 0 11.656636 1.8633974 -7.6568723 1 484 1 +ATOM C "C4'" . DT B0 2 8 . 8 DT B0 "C4'" 0 11.055345 2.1881623 -9.013226 1 485 1 +ATOM O "O4'" . DT B0 2 8 . 8 DT B0 "O4'" 0 9.75921 1.5433223 -9.151581 1 486 1 +ATOM C "C3'" . DT B0 2 8 . 8 DT B0 "C3'" 0 10.82802 3.6727614 -9.314115 1 487 1 +ATOM O "O3'" . DT B0 2 8 . 8 DT B0 "O3'" 0 11.494788 3.9603431 -10.537022 1 488 1 +ATOM C "C2'" . DT B0 2 8 . 8 DT B0 "C2'" 0 9.306784 3.8074014 -9.437454 1 489 1 +ATOM C "C1'" . DT B0 2 8 . 8 DT B0 "C1'" 0 8.896719 2.4053087 -9.8544235 1 490 1 +ATOM N N1 . DT B0 2 8 . 8 DT B0 N1 0 7.5135746 1.9645209 -9.522545 1 491 1 +ATOM C C2 . DT B0 2 8 . 8 DT B0 C2 0 6.795731 1.2647927 -10.480057 1 492 1 +ATOM O O2 . DT B0 2 8 . 8 DT B0 O2 0 7.2298136 1.0177426 -11.593573 1 493 1 +ATOM N N3 . DT B0 2 8 . 8 DT B0 N3 0 5.5502186 0.85439825 -10.083376 1 494 1 +ATOM C C4 . DT B0 2 8 . 8 DT B0 C4 0 4.9710655 1.0749147 -8.851976 1 495 1 +ATOM O O4 . DT B0 2 8 . 8 DT B0 O4 0 3.8452609 0.6512522 -8.600139 1 496 1 +ATOM C C5 . DT B0 2 8 . 8 DT B0 C5 0 5.763179 1.8157212 -7.8939133 1 497 1 +ATOM C C7 . DT B0 2 8 . 8 DT B0 C7 0 5.217579 2.1103683 -6.5272555 1 498 1 +ATOM C C6 . DT B0 2 8 . 8 DT B0 C6 0 6.985816 2.2193327 -8.274751 1 499 1 +ATOM P P . DC B0 2 9 . 9 DC B0 P 0 11.532326 5.49685 -11.120881 1 500 1 +ATOM O OP1 . DC B0 2 9 . 9 DC B0 OP1 0 11.206793 6.472238 -10.054935 1 501 1 +ATOM O OP2 . DC B0 2 9 . 9 DC B0 OP2 0 12.814819 5.6133175 -11.872105 1 502 1 +ATOM O "O5'" . DC B0 2 9 . 9 DC B0 "O5'" 0 10.340314 5.49282 -12.175722 1 503 1 +ATOM C "C5'" . DC B0 2 9 . 9 DC B0 "C5'" 0 10.269332 4.43643 -13.113621 1 504 1 +ATOM C "C4'" . DC B0 2 9 . 9 DC B0 "C4'" 0 9.070705 4.6131616 -14.0226 1 505 1 +ATOM O "O4'" . DC B0 2 9 . 9 DC B0 "O4'" 0 7.919386 3.9439971 -13.429947 1 506 1 +ATOM C "C3'" . DC B0 2 9 . 9 DC B0 "C3'" 0 8.646011 6.0641623 -14.274447 1 507 1 +ATOM O "O3'" . DC B0 2 9 . 9 DC B0 "O3'" 0 8.550308 6.287836 -15.67248 1 508 1 +ATOM C "C2'" . DC B0 2 9 . 9 DC B0 "C2'" 0 7.288928 6.1760693 -13.587294 1 509 1 +ATOM C "C1'" . DC B0 2 9 . 9 DC B0 "C1'" 0 6.789154 4.746889 -13.626619 1 510 1 +ATOM N N1 . DC B0 2 9 . 9 DC B0 N1 0 5.7871757 4.3922157 -12.601479 1 511 1 +ATOM C C2 . DC B0 2 9 . 9 DC B0 C2 0 4.6595006 3.6439934 -12.965434 1 512 1 +ATOM O O2 . DC B0 2 9 . 9 DC B0 O2 0 4.5423965 3.2681918 -14.144107 1 513 1 +ATOM N N3 . DC B0 2 9 . 9 DC B0 N3 0 3.7324562 3.3359275 -12.032759 1 514 1 +ATOM C C4 . DC B0 2 9 . 9 DC B0 C4 0 3.8956304 3.755056 -10.77836 1 515 1 +ATOM N N4 . DC B0 2 9 . 9 DC B0 N4 0 2.9540563 3.438394 -9.886148 1 516 1 +ATOM C C5 . DC B0 2 9 . 9 DC B0 C5 0 5.030249 4.5228853 -10.373354 1 517 1 +ATOM C C6 . DC B0 2 9 . 9 DC B0 C6 0 5.945139 4.811782 -11.313842 1 518 1 +ATOM P P . DC B0 2 10 . 10 DC B0 P 0 8.351862 7.802558 -16.250975 1 519 1 +ATOM O OP1 . DC B0 2 10 . 10 DC B0 OP1 0 8.404108 8.803768 -15.157336 1 520 1 +ATOM O OP2 . DC B0 2 10 . 10 DC B0 OP2 0 9.284008 7.9064827 -17.40636 1 521 1 +ATOM O "O5'" . DC B0 2 10 . 10 DC B0 "O5'" 0 6.8602276 7.7554593 -16.811558 1 522 1 +ATOM C "C5'" . DC B0 2 10 . 10 DC B0 "C5'" 0 6.4558687 6.6378565 -17.583149 1 523 1 +ATOM C "C4'" . DC B0 2 10 . 10 DC B0 "C4'" 0 4.953965 6.5635405 -17.630363 1 524 1 +ATOM O "O4'" . DC B0 2 10 . 10 DC B0 "O4'" 0 4.4391193 6.0298367 -16.371197 1 525 1 +ATOM C "C3'" . DC B0 2 10 . 10 DC B0 "C3'" 0 4.238446 7.908247 -17.839373 1 526 1 +ATOM O "O3'" . DC B0 2 10 . 10 DC B0 "O3'" 0 3.292428 7.7819967 -18.883722 1 527 1 +ATOM C "C2'" . DC B0 2 10 . 10 DC B0 "C2'" 0 3.5415869 8.143454 -16.511356 1 528 1 +ATOM C "C1'" . DC B0 2 10 . 10 DC B0 "C1'" 0 3.2648513 6.714514 -16.07481 1 529 1 +ATOM N N1 . DC B0 2 10 . 10 DC B0 N1 0 2.9045722 6.576835 -14.652274 1 530 1 +ATOM C C2 . DC B0 2 10 . 10 DC B0 C2 0 1.7842224 5.815734 -14.326557 1 531 1 +ATOM O O2 . DC B0 2 10 . 10 DC B0 O2 0 1.1690139 5.233285 -15.225754 1 532 1 +ATOM N N3 . DC B0 2 10 . 10 DC B0 N3 0 1.3993113 5.7339616 -13.029695 1 533 1 +ATOM C C4 . DC B0 2 10 . 10 DC B0 C4 0 2.086122 6.3756275 -12.085129 1 534 1 +ATOM N N4 . DC B0 2 10 . 10 DC B0 N4 0 1.6677411 6.273958 -10.824646 1 535 1 +ATOM C C5 . DC B0 2 10 . 10 DC B0 C5 0 3.242261 7.159255 -12.3915825 1 536 1 +ATOM C C6 . DC B0 2 10 . 10 DC B0 C6 0 3.6090674 7.2247696 -13.679371 1 537 1 +ATOM P P . DT B0 2 11 . 11 DT B0 P 0 2.5184386 9.083477 -19.452831 1 538 1 +ATOM O OP1 . DT B0 2 11 . 11 DT B0 OP1 0 2.578112 10.206339 -18.479874 1 539 1 +ATOM O OP2 . DT B0 2 11 . 11 DT B0 OP2 0 3.0054307 9.273361 -20.836124 1 540 1 +ATOM O "O5'" . DT B0 2 11 . 11 DT B0 "O5'" 0 1.008096 8.562557 -19.496492 1 541 1 +ATOM C "C5'" . DT B0 2 11 . 11 DT B0 "C5'" 0 0.73955977 7.2415557 -19.942009 1 542 1 +ATOM C "C4'" . DT B0 2 11 . 11 DT B0 "C4'" 0 -0.665401 6.827525 -19.534569 1 543 1 +ATOM O "O4'" . DT B0 2 11 . 11 DT B0 "O4'" 0 -0.72288 6.645543 -18.08996 1 544 1 +ATOM C "C3'" . DT B0 2 11 . 11 DT B0 "C3'" 0 -1.7493986 7.8498993 -19.88141 1 545 1 +ATOM O "O3'" . DT B0 2 11 . 11 DT B0 "O3'" 0 -2.8682678 7.150389 -20.417305 1 546 1 +ATOM C "C2'" . DT B0 2 11 . 11 DT B0 "C2'" 0 -2.0636063 8.5165 -18.539562 1 547 1 +ATOM C "C1'" . DT B0 2 11 . 11 DT B0 "C1'" 0 -1.8017306 7.3837976 -17.553543 1 548 1 +ATOM N N1 . DT B0 2 11 . 11 DT B0 N1 0 -1.4326134 7.80112 -16.17317 1 549 1 +ATOM C C2 . DT B0 2 11 . 11 DT B0 C2 0 -2.2067995 7.3581314 -15.117211 1 550 1 +ATOM O O2 . DT B0 2 11 . 11 DT B0 O2 0 -3.1904025 6.6485386 -15.251395 1 551 1 +ATOM N N3 . DT B0 2 11 . 11 DT B0 N3 0 -1.787318 7.774502 -13.881506 1 552 1 +ATOM C C4 . DT B0 2 11 . 11 DT B0 C4 0 -0.6966459 8.572231 -13.598999 1 553 1 +ATOM O O4 . DT B0 2 11 . 11 DT B0 O4 0 -0.41486195 8.8741 -12.440485 1 554 1 +ATOM C C5 . DT B0 2 11 . 11 DT B0 C5 0 0.065812156 9.001298 -14.746886 1 555 1 +ATOM C C7 . DT B0 2 11 . 11 DT B0 C7 0 1.2746799 9.87594 -14.547323 1 556 1 +ATOM C C6 . DT B0 2 11 . 11 DT B0 C6 0 -0.33015576 8.602911 -15.959305 1 557 1 +ATOM P P . DT B0 2 12 . 12 DT B0 P 0 -4.0366173 7.9537525 -21.15496 1 558 1 +ATOM O OP1 . DT B0 2 12 . 12 DT B0 OP1 0 -3.7997313 9.425836 -21.048105 1 559 1 +ATOM O OP2 . DT B0 2 12 . 12 DT B0 OP2 0 -4.193527 7.3219748 -22.483414 1 560 1 +ATOM O "O5'" . DT B0 2 12 . 12 DT B0 "O5'" 0 -5.3069224 7.5914717 -20.270937 1 561 1 +ATOM C "C5'" . DT B0 2 12 . 12 DT B0 "C5'" 0 -5.1162763 7.435503 -18.889507 1 562 1 +ATOM C "C4'" . DT B0 2 12 . 12 DT B0 "C4'" 0 -6.3661933 6.9254246 -18.216537 1 563 1 +ATOM O "O4'" . DT B0 2 12 . 12 DT B0 "O4'" 0 -6.105929 6.9947596 -16.801897 1 564 1 +ATOM C "C3'" . DT B0 2 12 . 12 DT B0 "C3'" 0 -7.625261 7.7707567 -18.431915 1 565 1 +ATOM O "O3'" . DT B0 2 12 . 12 DT B0 "O3'" 0 -8.766329 6.9289436 -18.283394 1 566 1 +ATOM C "C2'" . DT B0 2 12 . 12 DT B0 "C2'" 0 -7.497532 8.831343 -17.343521 1 567 1 +ATOM C "C1'" . DT B0 2 12 . 12 DT B0 "C1'" 0 -6.820195 8.062691 -16.21083 1 568 1 +ATOM N N1 . DT B0 2 12 . 12 DT B0 N1 0 -5.8618836 8.864264 -15.398352 1 569 1 +ATOM C C2 . DT B0 2 12 . 12 DT B0 C2 0 -5.9001055 8.733777 -14.028881 1 570 1 +ATOM O O2 . DT B0 2 12 . 12 DT B0 O2 0 -6.685768 8.002979 -13.453303 1 571 1 +ATOM N N3 . DT B0 2 12 . 12 DT B0 N3 0 -4.9776173 9.491367 -13.346392 1 572 1 +ATOM C C4 . DT B0 2 12 . 12 DT B0 C4 0 -4.0446157 10.340092 -13.892065 1 573 1 +ATOM O O4 . DT B0 2 12 . 12 DT B0 O4 0 -3.2705483 10.962482 -13.176451 1 574 1 +ATOM C C5 . DT B0 2 12 . 12 DT B0 C5 0 -4.055767 10.427303 -15.333792 1 575 1 +ATOM C C7 . DT B0 2 12 . 12 DT B0 C7 0 -3.0783691 11.331364 -16.029846 1 576 1 +ATOM C C6 . DT B0 2 12 . 12 DT B0 C6 0 -4.9529963 9.694988 -16.010715 1 577 1 +ATOM P P . DT B0 2 13 . 13 DT B0 P 0 -10.227228 7.5944986 -18.237785 1 578 1 +ATOM O OP1 . DT B0 2 13 . 13 DT B0 OP1 0 -10.200569 8.952033 -18.849363 1 579 1 +ATOM O OP2 . DT B0 2 13 . 13 DT B0 OP2 0 -11.124449 6.54181 -18.771362 1 580 1 +ATOM O "O5'" . DT B0 2 13 . 13 DT B0 "O5'" 0 -10.538435 7.7622986 -16.68328 1 581 1 +ATOM C "C5'" . DT B0 2 13 . 13 DT B0 "C5'" 0 -10.395518 6.6380663 -15.823622 1 582 1 +ATOM C "C4'" . DT B0 2 13 . 13 DT B0 "C4'" 0 -10.830975 6.970435 -14.4095955 1 583 1 +ATOM O "O4'" . DT B0 2 13 . 13 DT B0 "O4'" 0 -9.8421 7.811221 -13.762674 1 584 1 +ATOM C "C3'" . DT B0 2 13 . 13 DT B0 "C3'" 0 -12.163374 7.711871 -14.277678 1 585 1 +ATOM O "O3'" . DT B0 2 13 . 13 DT B0 "O3'" 0 -12.867677 7.1096015 -13.198471 1 586 1 +ATOM C "C2'" . DT B0 2 13 . 13 DT B0 "C2'" 0 -11.755642 9.156905 -13.971539 1 587 1 +ATOM C "C1'" . DT B0 2 13 . 13 DT B0 "C1'" 0 -10.470397 8.943604 -13.183746 1 588 1 +ATOM N N1 . DT B0 2 13 . 13 DT B0 N1 0 -9.453346 10.037031 -13.198295 1 589 1 +ATOM C C2 . DT B0 2 13 . 13 DT B0 C2 0 -8.892013 10.413095 -12.000011 1 590 1 +ATOM O O2 . DT B0 2 13 . 13 DT B0 O2 0 -9.22554 9.945756 -10.920789 1 591 1 +ATOM N N3 . DT B0 2 13 . 13 DT B0 N3 0 -7.909548 11.360656 -12.098869 1 592 1 +ATOM C C4 . DT B0 2 13 . 13 DT B0 C4 0 -7.441637 11.957537 -13.249031 1 593 1 +ATOM O O4 . DT B0 2 13 . 13 DT B0 O4 0 -6.5444803 12.792776 -13.206057 1 594 1 +ATOM C C5 . DT B0 2 13 . 13 DT B0 C5 0 -8.083504 11.523548 -14.471397 1 595 1 +ATOM C C7 . DT B0 2 13 . 13 DT B0 C7 0 -7.652845 12.125768 -15.78341 1 596 1 +ATOM C C6 . DT B0 2 13 . 13 DT B0 C6 0 -9.042806 10.596879 -14.388948 1 597 1 +ATOM P P . DT B0 2 14 . 14 DT B0 P 0 -14.346138 7.6219196 -12.774516 1 598 1 +ATOM O OP1 . DT B0 2 14 . 14 DT B0 OP1 0 -14.875353 8.51008 -13.837057 1 599 1 +ATOM O OP2 . DT B0 2 14 . 14 DT B0 OP2 0 -15.092437 6.403738 -12.3647585 1 600 1 +ATOM O "O5'" . DT B0 2 14 . 14 DT B0 "O5'" 0 -14.092377 8.499205 -11.470211 1 601 1 +ATOM C "C5'" . DT B0 2 14 . 14 DT B0 "C5'" 0 -13.445383 7.890293 -10.361649 1 602 1 +ATOM C "C4'" . DT B0 2 14 . 14 DT B0 "C4'" 0 -13.219191 8.899753 -9.24931 1 603 1 +ATOM O "O4'" . DT B0 2 14 . 14 DT B0 "O4'" 0 -12.185505 9.840565 -9.627581 1 604 1 +ATOM C "C3'" . DT B0 2 14 . 14 DT B0 "C3'" 0 -14.434674 9.744421 -8.873669 1 605 1 +ATOM O "O3'" . DT B0 2 14 . 14 DT B0 "O3'" 0 -14.547382 9.695539 -7.461279 1 606 1 +ATOM C "C2'" . DT B0 2 14 . 14 DT B0 "C2'" 0 -14.098841 11.152845 -9.377541 1 607 1 +ATOM C "C1'" . DT B0 2 14 . 14 DT B0 "C1'" 0 -12.5817995 11.149268 -9.262947 1 608 1 +ATOM N N1 . DT B0 2 14 . 14 DT B0 N1 0 -11.820059 12.088058 -10.128851 1 609 1 +ATOM C C2 . DT B0 2 14 . 14 DT B0 C2 0 -10.816074 12.837259 -9.56481 1 610 1 +ATOM O O2 . DT B0 2 14 . 14 DT B0 O2 0 -10.534081 12.809611 -8.37767 1 611 1 +ATOM N N3 . DT B0 2 14 . 14 DT B0 N3 0 -10.126851 13.628485 -10.4361725 1 612 1 +ATOM C C4 . DT B0 2 14 . 14 DT B0 C4 0 -10.349026 13.741867 -11.791737 1 613 1 +ATOM O O4 . DT B0 2 14 . 14 DT B0 O4 0 -9.661811 14.48621 -12.485317 1 614 1 +ATOM C C5 . DT B0 2 14 . 14 DT B0 C5 0 -11.42319 12.933414 -12.317091 1 615 1 +ATOM C C7 . DT B0 2 14 . 14 DT B0 C7 0 -11.747358 12.990385 -13.782515 1 616 1 +ATOM C C6 . DT B0 2 14 . 14 DT B0 C6 0 -12.098555 12.155503 -11.471501 1 617 1 +ATOM P P . DA B0 2 15 . 15 DA B0 P 0 -15.71279 10.43014 -6.6694098 1 618 1 +ATOM O OP1 . DA B0 2 15 . 15 DA B0 OP1 0 -16.726292 10.9563265 -7.620862 1 619 1 +ATOM O OP2 . DA B0 2 15 . 15 DA B0 OP2 0 -16.109837 9.490833 -5.5848093 1 620 1 +ATOM O "O5'" . DA B0 2 15 . 15 DA B0 "O5'" 0 -14.9766655 11.679361 -6.0145483 1 621 1 +ATOM C "C5'" . DA B0 2 15 . 15 DA B0 "C5'" 0 -13.722029 11.499184 -5.3930902 1 622 1 +ATOM C "C4'" . DA B0 2 15 . 15 DA B0 "C4'" 0 -13.214985 12.810831 -4.8378553 1 623 1 +ATOM O "O4'" . DA B0 2 15 . 15 DA B0 "O4'" 0 -12.518366 13.546942 -5.8721523 1 624 1 +ATOM C "C3'" . DA B0 2 15 . 15 DA B0 "C3'" 0 -14.286012 13.748377 -4.2922745 1 625 1 +ATOM O "O3'" . DA B0 2 15 . 15 DA B0 "O3'" 0 -13.84277 14.209648 -3.0260873 1 626 1 +ATOM C "C2'" . DA B0 2 15 . 15 DA B0 "C2'" 0 -14.373415 14.860264 -5.350416 1 627 1 +ATOM C "C1'" . DA B0 2 15 . 15 DA B0 "C1'" 0 -12.961524 14.884427 -5.907404 1 628 1 +ATOM N N9 . DA B0 2 15 . 15 DA B0 N9 0 -12.809458 15.334642 -7.2859325 1 629 1 +ATOM C C8 . DA B0 2 15 . 15 DA B0 C8 0 -13.54682 14.950074 -8.372961 1 630 1 +ATOM N N7 . DA B0 2 15 . 15 DA B0 N7 0 -13.149777 15.487819 -9.5020075 1 631 1 +ATOM C C5 . DA B0 2 15 . 15 DA B0 C5 0 -12.07114 16.284912 -9.133646 1 632 1 +ATOM C C6 . DA B0 2 15 . 15 DA B0 C6 0 -11.210115 17.113949 -9.877317 1 633 1 +ATOM N N6 . DA B0 2 15 . 15 DA B0 N6 0 -11.301603 17.288065 -11.190271 1 634 1 +ATOM N N1 . DA B0 2 15 . 15 DA B0 N1 0 -10.238932 17.774452 -9.200172 1 635 1 +ATOM C C2 . DA B0 2 15 . 15 DA B0 C2 0 -10.1484165 17.599165 -7.881757 1 636 1 +ATOM N N3 . DA B0 2 15 . 15 DA B0 N3 0 -10.897445 16.836124 -7.07625 1 637 1 +ATOM C C4 . DA B0 2 15 . 15 DA B0 C4 0 -11.854644 16.19777 -7.772458 1 638 1 +ATOM P P . DT B0 2 16 . 16 DT B0 P 0 -14.60962 15.292212 -2.1609938 1 639 1 +ATOM O OP1 . DT B0 2 16 . 16 DT B0 OP1 0 -15.98134 15.474043 -2.7085092 1 640 1 +ATOM O OP2 . DT B0 2 16 . 16 DT B0 OP2 0 -14.428226 14.952262 -0.7275958 1 641 1 +ATOM O "O5'" . DT B0 2 16 . 16 DT B0 "O5'" 0 -13.786289 16.617554 -2.475595 1 642 1 +ATOM C "C5'" . DT B0 2 16 . 16 DT B0 "C5'" 0 -12.365288 16.600285 -2.3987353 1 643 1 +ATOM C "C4'" . DT B0 2 16 . 16 DT B0 "C4'" 0 -11.81921 17.983534 -2.6474237 1 644 1 +ATOM O "O4'" . DT B0 2 16 . 16 DT B0 "O4'" 0 -11.701326 18.216305 -4.081974 1 645 1 +ATOM C "C3'" . DT B0 2 16 . 16 DT B0 "C3'" 0 -12.684495 19.115467 -2.1052203 1 646 1 +ATOM O "O3'" . DT B0 2 16 . 16 DT B0 "O3'" 0 -11.846856 20.113579 -1.5480924 1 647 1 +ATOM C "C2'" . DT B0 2 16 . 16 DT B0 "C2'" 0 -13.396307 19.64505 -3.3542771 1 648 1 +ATOM C "C1'" . DT B0 2 16 . 16 DT B0 "C1'" 0 -12.30724 19.451488 -4.3969145 1 649 1 +ATOM N N1 . DT B0 2 16 . 16 DT B0 N1 0 -12.736777 19.410896 -5.809964 1 650 1 +ATOM C C2 . DT B0 2 16 . 16 DT B0 C2 0 -11.93737 20.032494 -6.74304 1 651 1 +ATOM O O2 . DT B0 2 16 . 16 DT B0 O2 0 -10.899126 20.608795 -6.4604893 1 652 1 +ATOM N N3 . DT B0 2 16 . 16 DT B0 N3 0 -12.381465 19.952929 -8.034646 1 653 1 +ATOM C C4 . DT B0 2 16 . 16 DT B0 C4 0 -13.528742 19.315176 -8.472019 1 654 1 +ATOM O O4 . DT B0 2 16 . 16 DT B0 O4 0 -13.820814 19.308205 -9.663916 1 655 1 +ATOM C C5 . DT B0 2 16 . 16 DT B0 C5 0 -14.3301 18.680618 -7.4399204 1 656 1 +ATOM C C7 . DT B0 2 16 . 16 DT B0 C7 0 -15.607388 17.968094 -7.806782 1 657 1 +ATOM C C6 . DT B0 2 16 . 16 DT B0 C6 0 -13.895691 18.761784 -6.1736126 1 658 1 +ATOM N N . GLY C0 3 1 . 1 GLY C0 N 0 20.235332 -8.744159 7.305189 1 659 1 +ATOM C CA . GLY C0 3 1 . 1 GLY C0 CA 0 19.463724 -9.358966 6.217367 1 660 1 +ATOM C C . GLY C0 3 1 . 1 GLY C0 C 0 18.927784 -10.7427635 6.519411 1 661 1 +ATOM O O . GLY C0 3 1 . 1 GLY C0 O 0 18.517319 -11.454042 5.5972767 1 662 1 +ATOM N N . SER C0 3 2 . 2 SER C0 N 0 18.903664 -11.096357 7.79447 1 663 1 +ATOM C CA . SER C0 3 2 . 2 SER C0 CA 0 18.46936 -12.432296 8.19525 1 664 1 +ATOM C C . SER C0 3 2 . 2 SER C0 C 0 17.027151 -12.473032 8.695513 1 665 1 +ATOM O O . SER C0 3 2 . 2 SER C0 O 0 16.47242 -13.557024 8.860722 1 666 1 +ATOM C CB . SER C0 3 2 . 2 SER C0 CB 0 19.410141 -12.997564 9.265989 1 667 1 +ATOM O OG . SER C0 3 2 . 2 SER C0 OG 0 19.393063 -12.212847 10.438459 1 668 1 +ATOM N N . LYS C0 3 3 . 3 LYS C0 N 0 16.432701 -11.304684 8.925715 1 669 1 +ATOM C CA . LYS C0 3 3 . 3 LYS C0 CA 0 15.050627 -11.246399 9.391487 1 670 1 +ATOM C C . LYS C0 3 3 . 3 LYS C0 C 0 14.084904 -11.017189 8.228323 1 671 1 +ATOM O O . LYS C0 3 3 . 3 LYS C0 O 0 14.395361 -10.298295 7.271372 1 672 1 +ATOM C CB . LYS C0 3 3 . 3 LYS C0 CB 0 14.874834 -10.157408 10.455145 1 673 1 +ATOM C CG . LYS C0 3 3 . 3 LYS C0 CG 0 15.659615 -10.419036 11.746685 1 674 1 +ATOM C CD . LYS C0 3 3 . 3 LYS C0 CD 0 14.990696 -9.767397 12.968292 1 675 1 +ATOM C CE . LYS C0 3 3 . 3 LYS C0 CE 0 14.079149 -10.735365 13.668908 1 676 1 +ATOM N NZ . LYS C0 3 3 . 3 LYS C0 NZ 0 13.47514 -10.150049 14.896549 1 677 1 +ATOM N N . LYS C0 3 4 . 4 LYS C0 N 0 12.930306 -11.649933 8.305976 1 678 1 +ATOM C CA . LYS C0 3 4 . 4 LYS C0 CA 0 11.87244 -11.454659 7.3240075 1 679 1 +ATOM C C . LYS C0 3 4 . 4 LYS C0 C 0 11.536571 -9.972757 7.233383 1 680 1 +ATOM O O . LYS C0 3 4 . 4 LYS C0 O 0 11.436723 -9.29203 8.249506 1 681 1 +ATOM C CB . LYS C0 3 4 . 4 LYS C0 CB 0 10.630154 -12.253127 7.734564 1 682 1 +ATOM C CG . LYS C0 3 4 . 4 LYS C0 CG 0 9.445091 -12.046944 6.8081856 1 683 1 +ATOM C CD . LYS C0 3 4 . 4 LYS C0 CD 0 8.14642 -12.606847 7.424054 1 684 1 +ATOM C CE . LYS C0 3 4 . 4 LYS C0 CE 0 8.051328 -14.104551 7.257721 1 685 1 +ATOM N NZ . LYS C0 3 4 . 4 LYS C0 NZ 0 6.7315226 -14.616657 7.6763287 1 686 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 11.391246 -9.474919 6.0173798 1 687 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 11.137242 -8.049591 5.8095675 1 688 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 9.738461 -7.673299 6.284137 1 689 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 8.749632 -8.304352 5.8919106 1 690 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 11.318659 -7.7008815 4.3219995 1 691 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 11.433492 -6.212064 4.0388527 1 692 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 11.220545 -5.906812 2.5303993 1 693 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 12.363995 -6.394197 1.6473174 1 694 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 13.622848 -5.623964 1.8610475 1 695 1 +ATOM N N . ILE C0 3 6 . 6 ILE C0 N 0 9.657259 -6.6415167 7.1270576 1 696 1 +ATOM C CA . ILE C0 3 6 . 6 ILE C0 CA 0 8.392191 -6.173005 7.6793523 1 697 1 +ATOM C C . ILE C0 3 6 . 6 ILE C0 C 0 7.4309254 -5.7223516 6.574583 1 698 1 +ATOM O O . ILE C0 3 6 . 6 ILE C0 O 0 7.8567433 -5.1521206 5.5651183 1 699 1 +ATOM C CB . ILE C0 3 6 . 6 ILE C0 CB 0 8.615459 -5.0315843 8.711067 1 700 1 +ATOM C CG1 . ILE C0 3 6 . 6 ILE C0 CG1 0 7.338808 -4.745306 9.499603 1 701 1 +ATOM C CG2 . ILE C0 3 6 . 6 ILE C0 CG2 0 9.136982 -3.7765174 8.016298 1 702 1 +ATOM C CD1 . ILE C0 3 6 . 6 ILE C0 CD1 0 7.534088 -3.7822075 10.677372 1 703 1 +ATOM N N . ARG C0 3 7 . 7 ARG C0 N 0 6.1473494 -5.999102 6.773205 1 704 1 +ATOM C CA . ARG C0 3 7 . 7 ARG C0 CA 0 5.1491323 -5.582942 5.793784 1 705 1 +ATOM C C . ARG C0 3 7 . 7 ARG C0 C 0 4.6345644 -4.190483 6.125985 1 706 1 +ATOM O O . ARG C0 3 7 . 7 ARG C0 O 0 4.647202 -3.7773046 7.297186 1 707 1 +ATOM C CB . ARG C0 3 7 . 7 ARG C0 CB 0 3.986835 -6.586528 5.7660737 1 708 1 +ATOM C CG . ARG C0 3 7 . 7 ARG C0 CG 0 4.4684877 -7.997044 5.8536806 1 709 1 +ATOM C CD . ARG C0 3 7 . 7 ARG C0 CD 0 3.6354742 -9.116731 5.234387 1 710 1 +ATOM N NE . ARG C0 3 7 . 7 ARG C0 NE 0 2.544114 -8.705871 4.3705564 1 711 1 +ATOM C CZ . ARG C0 3 7 . 7 ARG C0 CZ 0 1.7428168 -9.553172 3.756862 1 712 1 +ATOM N NH1 . ARG C0 3 7 . 7 ARG C0 NH1 0 1.9024539 -10.851933 3.9111233 1 713 1 +ATOM N NH2 . ARG C0 3 7 . 7 ARG C0 NH2 0 0.7764467 -9.083601 2.9790995 1 714 1 +ATOM N N . LEU C0 3 8 . 8 LEU C0 N 0 4.163399 -3.4780142 5.1083007 1 715 1 +ATOM C CA . LEU C0 3 8 . 8 LEU C0 CA 0 3.6883135 -2.10813 5.280608 1 716 1 +ATOM C C . LEU C0 3 8 . 8 LEU C0 C 0 2.587959 -2.0007381 6.3343954 1 717 1 +ATOM O O . LEU C0 3 8 . 8 LEU C0 O 0 2.6339612 -1.1119485 7.1959 1 718 1 +ATOM C CB . LEU C0 3 8 . 8 LEU C0 CB 0 3.2075834 -1.5319633 3.9389913 1 719 1 +ATOM C CG . LEU C0 3 8 . 8 LEU C0 CG 0 2.6023417 -0.117679924 3.9833374 1 720 1 +ATOM C CD1 . LEU C0 3 8 . 8 LEU C0 CD1 0 2.0833344 0.27257323 2.6014917 1 721 1 +ATOM C CD2 . LEU C0 3 8 . 8 LEU C0 CD2 0 3.6072197 0.90436435 4.4839187 1 722 1 +ATOM N N . TYR C0 3 9 . 9 TYR C0 N 0 1.592145 -2.8845868 6.288224 1 723 1 +ATOM C CA . TYR C0 3 9 . 9 TYR C0 CA 0 0.48662525 -2.7905574 7.242034 1 724 1 +ATOM C C . TYR C0 3 9 . 9 TYR C0 C 0 0.9606947 -2.9480772 8.683684 1 725 1 +ATOM O O . TYR C0 3 9 . 9 TYR C0 O 0 0.42481908 -2.301302 9.591887 1 726 1 +ATOM C CB . TYR C0 3 9 . 9 TYR C0 CB 0 -0.64666176 -3.7795992 6.902604 1 727 1 +ATOM C CG . TYR C0 3 9 . 9 TYR C0 CG 0 -0.35980743 -5.2372484 7.1763935 1 728 1 +ATOM C CD1 . TYR C0 3 9 . 9 TYR C0 CD1 0 -0.042566504 -6.1137137 6.155597 1 729 1 +ATOM C CD2 . TYR C0 3 9 . 9 TYR C0 CD2 0 -0.4394468 -5.7456293 8.476063 1 730 1 +ATOM C CE1 . TYR C0 3 9 . 9 TYR C0 CE1 0 0.1999009 -7.455784 6.4005976 1 731 1 +ATOM C CE2 . TYR C0 3 9 . 9 TYR C0 CE2 0 -0.19588786 -7.0841894 8.72892 1 732 1 +ATOM C CZ . TYR C0 3 9 . 9 TYR C0 CZ 0 0.1278806 -7.9255 7.6871014 1 733 1 +ATOM O OH . TYR C0 3 9 . 9 TYR C0 OH 0 0.36624968 -9.262789 7.9372625 1 734 1 +ATOM N N . GLN C0 3 10 . 10 GLN C0 N 0 1.9870229 -3.78078 8.907024 1 735 1 +ATOM C CA . GLN C0 3 10 . 10 GLN C0 CA 0 2.5376158 -3.95878 10.251226 1 736 1 +ATOM C C . GLN C0 3 10 . 10 GLN C0 C 0 3.2854238 -2.717502 10.704517 1 737 1 +ATOM O O . GLN C0 3 10 . 10 GLN C0 O 0 3.1927824 -2.3162813 11.864058 1 738 1 +ATOM C CB . GLN C0 3 10 . 10 GLN C0 CB 0 3.4512575 -5.1725225 10.316522 1 739 1 +ATOM C CG . GLN C0 3 10 . 10 GLN C0 CG 0 2.7746754 -6.426284 10.840077 1 740 1 +ATOM C CD . GLN C0 3 10 . 10 GLN C0 CD 0 2.1748881 -6.242518 12.226621 1 741 1 +ATOM O OE1 . GLN C0 3 10 . 10 GLN C0 OE1 0 2.6335125 -5.461777 13.062826 1 742 1 +ATOM N NE2 . GLN C0 3 10 . 10 GLN C0 NE2 0 1.093848 -6.966451 12.501465 1 743 1 +ATOM N N . PHE C0 3 11 . 11 PHE C0 N 0 4.0397186 -2.1044886 9.785499 1 744 1 +ATOM C CA . PHE C0 3 11 . 11 PHE C0 CA 0 4.7630205 -0.8694625 10.06241 1 745 1 +ATOM C C . PHE C0 3 11 . 11 PHE C0 C 0 3.7979429 0.22319548 10.527369 1 746 1 +ATOM O O . PHE C0 3 11 . 11 PHE C0 O 0 4.04541 0.90329707 11.525934 1 747 1 +ATOM C CB . PHE C0 3 11 . 11 PHE C0 CB 0 5.512784 -0.41626662 8.809984 1 748 1 +ATOM C CG . PHE C0 3 11 . 11 PHE C0 CG 0 6.141924 0.95052385 8.902246 1 749 1 +ATOM C CD1 . PHE C0 3 11 . 11 PHE C0 CD1 0 5.5462403 2.0424957 8.287904 1 750 1 +ATOM C CD2 . PHE C0 3 11 . 11 PHE C0 CD2 0 7.337325 1.1391962 9.581575 1 751 1 +ATOM C CE1 . PHE C0 3 11 . 11 PHE C0 CE1 0 6.127182 3.2992382 8.357864 1 752 1 +ATOM C CE2 . PHE C0 3 11 . 11 PHE C0 CE2 0 7.9220343 2.3909311 9.655643 1 753 1 +ATOM C CZ . PHE C0 3 11 . 11 PHE C0 CZ 0 7.318224 3.4796543 9.042616 1 754 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 2.6763353 0.35675782 9.831827 1 755 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 1.6798707 1.3774548 10.164766 1 756 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 0.97035235 1.0756094 11.481394 1 757 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 0.80279803 1.966593 12.316998 1 758 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 0.6578586 1.5141581 9.029114 1 759 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 1.2271249 1.9533743 7.6708975 1 760 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 0.1333137 1.9155874 6.6059885 1 761 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 1.8343174 3.3453598 7.77017 1 762 1 +ATOM N N . LEU C0 3 13 . 13 LEU C0 N 0 0.5646599 -0.16828778 11.661534 1 763 1 +ATOM C CA . LEU C0 3 13 . 13 LEU C0 CA 0 -0.10545412 -0.57007456 12.900123 1 764 1 +ATOM C C . LEU C0 3 13 . 13 LEU C0 C 0 0.81394756 -0.36340883 14.098412 1 765 1 +ATOM O O . LEU C0 3 13 . 13 LEU C0 O 0 0.3828929 0.13486876 15.142627 1 766 1 +ATOM C CB . LEU C0 3 13 . 13 LEU C0 CB 0 -0.5604197 -2.0319023 12.81243 1 767 1 +ATOM C CG . LEU C0 3 13 . 13 LEU C0 CG 0 -1.3218689 -2.5789566 14.022692 1 768 1 +ATOM C CD1 . LEU C0 3 13 . 13 LEU C0 CD1 0 -1.6847217 -4.0448794 13.790892 1 769 1 +ATOM C CD2 . LEU C0 3 13 . 13 LEU C0 CD2 0 -2.5756166 -1.7560451 14.304857 1 770 1 +ATOM N N . ASP C0 3 14 . 14 ASP C0 N 0 2.0871837 -0.72262913 13.942703 1 771 1 +ATOM C CA . ASP C0 3 14 . 14 ASP C0 CA 0 3.070661 -0.5266198 15.003521 1 772 1 +ATOM C C . ASP C0 3 14 . 14 ASP C0 C 0 3.1904826 0.9456368 15.391735 1 773 1 +ATOM O O . ASP C0 3 14 . 14 ASP C0 O 0 3.247066 1.2754625 16.573366 1 774 1 +ATOM C CB . ASP C0 3 14 . 14 ASP C0 CB 0 4.448156 -1.0597038 14.576957 1 775 1 +ATOM C CG . ASP C0 3 14 . 14 ASP C0 CG 0 4.5116973 -2.578295 14.5065975 1 776 1 +ATOM O OD1 . ASP C0 3 14 . 14 ASP C0 OD1 0 3.5332866 -3.2473576 14.913729 1 777 1 +ATOM O OD2 . ASP C0 3 14 . 14 ASP C0 OD2 0 5.5406904 -3.1188042 14.041773 1 778 1 +ATOM N N . LEU C0 3 15 . 15 LEU C0 N 0 3.2205067 1.827677 14.394763 1 779 1 +ATOM C CA . LEU C0 3 15 . 15 LEU C0 CA 0 3.2881107 3.263612 14.65773 1 780 1 +ATOM C C . LEU C0 3 15 . 15 LEU C0 C 0 2.0784106 3.7469263 15.453711 1 781 1 +ATOM O O . LEU C0 3 15 . 15 LEU C0 O 0 2.2210424 4.500757 16.422512 1 782 1 +ATOM C CB . LEU C0 3 15 . 15 LEU C0 CB 0 3.3578205 4.065445 13.351019 1 783 1 +ATOM C CG . LEU C0 3 15 . 15 LEU C0 CG 0 4.6821175 4.185932 12.601661 1 784 1 +ATOM C CD1 . LEU C0 3 15 . 15 LEU C0 CD1 0 4.5952897 5.373396 11.648759 1 785 1 +ATOM C CD2 . LEU C0 3 15 . 15 LEU C0 CD2 0 5.8481035 4.3785467 13.558309 1 786 1 +ATOM N N . LEU C0 3 16 . 16 LEU C0 N 0 0.9026803 3.3150878 15.01997 1 787 1 +ATOM C CA . LEU C0 3 16 . 16 LEU C0 CA 0 -0.33237 3.7337537 15.675944 1 788 1 +ATOM C C . LEU C0 3 16 . 16 LEU C0 C 0 -0.40301707 3.2574406 17.12259 1 789 1 +ATOM O O . LEU C0 3 16 . 16 LEU C0 O 0 -0.87322235 3.9891562 17.994032 1 790 1 +ATOM C CB . LEU C0 3 16 . 16 LEU C0 CB 0 -1.5433941 3.2409499 14.877966 1 791 1 +ATOM C CG . LEU C0 3 16 . 16 LEU C0 CG 0 -1.8482265 4.0606236 13.611589 1 792 1 +ATOM C CD1 . LEU C0 3 16 . 16 LEU C0 CD1 0 -2.7011302 3.2655368 12.6421585 1 793 1 +ATOM C CD2 . LEU C0 3 16 . 16 LEU C0 CD2 0 -2.5175345 5.3783607 13.966427 1 794 1 +ATOM N N . ARG C0 3 17 . 17 ARG C0 N 0 0.07945642 2.0507972 17.37415 1 795 1 +ATOM C CA . ARG C0 3 17 . 17 ARG C0 CA 0 0.04114413 1.4927455 18.713093 1 796 1 +ATOM C C . ARG C0 3 17 . 17 ARG C0 C 0 1.1634471 2.037334 19.604671 1 797 1 +ATOM O O . ARG C0 3 17 . 17 ARG C0 O 0 1.0029434 2.093233 20.826458 1 798 1 +ATOM C CB . ARG C0 3 17 . 17 ARG C0 CB 0 0.076967955 -0.04117711 18.655237 1 799 1 +ATOM C CG . ARG C0 3 17 . 17 ARG C0 CG 0 -1.2240458 -0.62012535 18.140182 1 800 1 +ATOM C CD . ARG C0 3 17 . 17 ARG C0 CD 0 -1.2167338 -2.1396928 18.063248 1 801 1 +ATOM N NE . ARG C0 3 17 . 17 ARG C0 NE 0 -2.540588 -2.6399286 17.696598 1 802 1 +ATOM C CZ . ARG C0 3 17 . 17 ARG C0 CZ 0 -2.8436823 -3.9190772 17.47427 1 803 1 +ATOM N NH1 . ARG C0 3 17 . 17 ARG C0 NH1 0 -1.8943596 -4.8471584 17.588154 1 804 1 +ATOM N NH2 . ARG C0 3 17 . 17 ARG C0 NH2 0 -4.0768633 -4.2684865 17.137083 1 805 1 +ATOM N N . SER C0 3 18 . 18 SER C0 N 0 2.2726378 2.4361708 18.998863 1 806 1 +ATOM C CA . SER C0 3 18 . 18 SER C0 CA 0 3.3876526 3.0454855 19.739922 1 807 1 +ATOM C C . SER C0 3 18 . 18 SER C0 C 0 3.0786264 4.493092 20.097805 1 808 1 +ATOM O O . SER C0 3 18 . 18 SER C0 O 0 3.3906639 4.9470835 21.198462 1 809 1 +ATOM C CB . SER C0 3 18 . 18 SER C0 CB 0 4.6758814 3.020945 18.916094 1 810 1 +ATOM O OG . SER C0 3 18 . 18 SER C0 OG 0 4.838526 1.8046029 18.248154 1 811 1 +ATOM N N . GLY C0 3 19 . 19 GLY C0 N 0 2.5036774 5.2069864 19.161875 1 812 1 +ATOM C CA . GLY C0 3 19 . 19 GLY C0 CA 0 2.1837382 6.6168427 19.342342 1 813 1 +ATOM C C . GLY C0 3 19 . 19 GLY C0 C 0 3.1776507 7.559847 18.681374 1 814 1 +ATOM O O . GLY C0 3 19 . 19 GLY C0 O 0 3.0402677 8.778494 18.797659 1 815 1 +ATOM N N . ASP C0 3 20 . 20 ASP C0 N 0 4.1925206 7.046847 17.998337 1 816 1 +ATOM C CA . ASP C0 3 20 . 20 ASP C0 CA 0 5.141948 7.8875427 17.276318 1 817 1 +ATOM C C . ASP C0 3 20 . 20 ASP C0 C 0 4.4862876 8.407755 15.99938 1 818 1 +ATOM O O . ASP C0 3 20 . 20 ASP C0 O 0 3.530127 7.7986827 15.492708 1 819 1 +ATOM C CB . ASP C0 3 20 . 20 ASP C0 CB 0 6.4147406 7.1027193 16.94942 1 820 1 +ATOM C CG . ASP C0 3 20 . 20 ASP C0 CG 0 7.61001 7.998238 16.674824 1 821 1 +ATOM O OD1 . ASP C0 3 20 . 20 ASP C0 OD1 0 7.544995 9.216698 16.985394 1 822 1 +ATOM O OD2 . ASP C0 3 20 . 20 ASP C0 OD2 0 8.633155 7.503499 16.152512 1 823 1 +ATOM N N . MET C0 3 21 . 21 MET C0 N 0 4.977071 9.512705 15.493348 1 824 1 +ATOM C CA . MET C0 3 21 . 21 MET C0 CA 0 4.4865894 10.141955 14.261571 1 825 1 +ATOM C C . MET C0 3 21 . 21 MET C0 C 0 3.0019288 10.507276 14.319239 1 826 1 +ATOM O O . MET C0 3 21 . 21 MET C0 O 0 2.2775795 10.362124 13.334162 1 827 1 +ATOM C CB . MET C0 3 21 . 21 MET C0 CB 0 4.7647696 9.245607 13.050043 1 828 1 +ATOM C CG . MET C0 3 21 . 21 MET C0 CG 0 6.1917486 8.743393 12.979847 1 829 1 +ATOM S SD . MET C0 3 21 . 21 MET C0 SD 0 6.772829 8.430511 11.29137 1 830 1 +ATOM C CE . MET C0 3 21 . 21 MET C0 CE 0 7.017128 10.109686 10.72098 1 831 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 2.5525734 11.027988 15.483847 1 832 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 1.1572301 11.447128 15.626859 1 833 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 0.8321738 12.648489 14.750252 1 834 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 -0.3288926 12.936871 14.493178 1 835 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 0.8382507 11.771779 17.098919 1 836 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 0.86721015 10.562963 18.014154 1 837 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 0.31548816 10.936142 19.393257 1 838 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 0.7374542 9.959902 20.474495 1 839 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 -0.1810542 8.776224 20.551647 1 840 1 +ATOM N N . ASP C0 3 23 . 23 ASP C0 N 0 1.879354 13.368292 14.3150425 1 841 1 +ATOM C CA . ASP C0 3 23 . 23 ASP C0 CA 0 1.6992524 14.463651 13.366981 1 842 1 +ATOM C C . ASP C0 3 23 . 23 ASP C0 C 0 1.3309888 13.935732 11.983955 1 843 1 +ATOM O O . ASP C0 3 23 . 23 ASP C0 O 0 0.7440884 14.655506 11.178049 1 844 1 +ATOM C CB . ASP C0 3 23 . 23 ASP C0 CB 0 2.9786553 15.301474 13.249354 1 845 1 +ATOM C CG . ASP C0 3 23 . 23 ASP C0 CG 0 3.2805324 16.098103 14.49884 1 846 1 +ATOM O OD1 . ASP C0 3 23 . 23 ASP C0 OD1 0 2.4371502 16.938723 14.881001 1 847 1 +ATOM O OD2 . ASP C0 3 23 . 23 ASP C0 OD2 0 4.3547945 15.882624 15.099791 1 848 1 +ATOM N N . SER C0 3 24 . 24 SER C0 N 0 1.7201669 12.6947155 11.719414 1 849 1 +ATOM C CA . SER C0 3 24 . 24 SER C0 CA 0 1.5790181 12.096431 10.390567 1 850 1 +ATOM C C . SER C0 3 24 . 24 SER C0 C 0 0.4055752 11.122326 10.259415 1 851 1 +ATOM O O . SER C0 3 24 . 24 SER C0 O 0 -0.20906334 11.04682 9.193328 1 852 1 +ATOM C CB . SER C0 3 24 . 24 SER C0 CB 0 2.86441 11.354064 10.010889 1 853 1 +ATOM O OG . SER C0 3 24 . 24 SER C0 OG 0 4.0023975 12.2006035 10.116138 1 854 1 +ATOM N N . ILE C0 3 25 . 25 ILE C0 N 0 0.10429846 10.376402 11.329815 1 855 1 +ATOM C CA . ILE C0 3 25 . 25 ILE C0 CA 0 -0.92283756 9.3517 11.28195 1 856 1 +ATOM C C . ILE C0 3 25 . 25 ILE C0 C 0 -1.5835607 9.187353 12.654318 1 857 1 +ATOM O O . ILE C0 3 25 . 25 ILE C0 O 0 -0.911414 9.273155 13.687596 1 858 1 +ATOM C CB . ILE C0 3 25 . 25 ILE C0 CB 0 -0.3420984 8.004023 10.779762 1 859 1 +ATOM C CG1 . ILE C0 3 25 . 25 ILE C0 CG1 0 -1.4484142 6.971714 10.542522 1 860 1 +ATOM C CG2 . ILE C0 3 25 . 25 ILE C0 CG2 0 0.71210206 7.4629564 11.745201 1 861 1 +ATOM C CD1 . ILE C0 3 25 . 25 ILE C0 CD1 0 -0.95860755 5.6872416 9.869198 1 862 1 +ATOM N N . TRP C0 3 26 . 26 TRP C0 N 0 -2.875444 8.958539 12.66873 1 863 1 +ATOM C CA . TRP C0 3 26 . 26 TRP C0 CA 0 -3.6228328 8.822798 13.931726 1 864 1 +ATOM C C . TRP C0 3 26 . 26 TRP C0 C 0 -4.8511763 7.9488683 13.724457 1 865 1 +ATOM O O . TRP C0 3 26 . 26 TRP C0 O 0 -5.325151 7.7470903 12.603111 1 866 1 +ATOM C CB . TRP C0 3 26 . 26 TRP C0 CB 0 -4.067589 10.1958065 14.45145 1 867 1 +ATOM C CG . TRP C0 3 26 . 26 TRP C0 CG 0 -4.769826 11.023639 13.407839 1 868 1 +ATOM C CD1 . TRP C0 3 26 . 26 TRP C0 CD1 0 -6.0733495 10.964146 13.035949 1 869 1 +ATOM C CD2 . TRP C0 3 26 . 26 TRP C0 CD2 0 -4.182066 12.024788 12.574151 1 870 1 +ATOM N NE1 . TRP C0 3 26 . 26 TRP C0 NE1 0 -6.332059 11.862129 12.030176 1 871 1 +ATOM C CE2 . TRP C0 3 26 . 26 TRP C0 CE2 0 -5.1842165 12.527133 11.728248 1 872 1 +ATOM C CE3 . TRP C0 3 26 . 26 TRP C0 CE3 0 -2.8950195 12.559654 12.468311 1 873 1 +ATOM C CZ2 . TRP C0 3 26 . 26 TRP C0 CZ2 0 -4.9557495 13.528167 10.785561 1 874 1 +ATOM C CZ3 . TRP C0 3 26 . 26 TRP C0 CZ3 0 -2.657208 13.552834 11.536868 1 875 1 +ATOM C CH2 . TRP C0 3 26 . 26 TRP C0 CH2 0 -3.6763523 14.03079 10.694777 1 876 1 +ATOM N N . TRP C0 3 27 . 27 TRP C0 N 0 -5.3888574 7.4268847 14.853468 1 877 1 +ATOM C CA . TRP C0 3 27 . 27 TRP C0 CA 0 -6.636468 6.68551 14.806742 1 878 1 +ATOM C C . TRP C0 3 27 . 27 TRP C0 C 0 -7.8045692 7.6510134 14.639618 1 879 1 +ATOM O O . TRP C0 3 27 . 27 TRP C0 O 0 -7.898379 8.654595 15.3522215 1 880 1 +ATOM C CB . TRP C0 3 27 . 27 TRP C0 CB 0 -6.859516 5.8959303 16.105572 1 881 1 +ATOM C CG . TRP C0 3 27 . 27 TRP C0 CG 0 -5.926347 4.752901 16.355713 1 882 1 +ATOM C CD1 . TRP C0 3 27 . 27 TRP C0 CD1 0 -4.9998245 4.657528 17.346579 1 883 1 +ATOM C CD2 . TRP C0 3 27 . 27 TRP C0 CD2 0 -5.8490906 3.518769 15.620992 1 884 1 +ATOM N NE1 . TRP C0 3 27 . 27 TRP C0 NE1 0 -4.345159 3.451331 17.289116 1 885 1 +ATOM C CE2 . TRP C0 3 27 . 27 TRP C0 CE2 0 -4.845157 2.7278538 16.231548 1 886 1 +ATOM C CE3 . TRP C0 3 27 . 27 TRP C0 CE3 0 -6.5267534 3.004879 14.505952 1 887 1 +ATOM C CZ2 . TRP C0 3 27 . 27 TRP C0 CZ2 0 -4.505977 1.45631 15.77141 1 888 1 +ATOM C CZ3 . TRP C0 3 27 . 27 TRP C0 CZ3 0 -6.186195 1.737094 14.045755 1 889 1 +ATOM C CH2 . TRP C0 3 27 . 27 TRP C0 CH2 0 -5.1791925 0.98199177 14.674618 1 890 1 +ATOM N N . VAL C0 3 28 . 28 VAL C0 N 0 -8.705121 7.3293777 13.712391 1 891 1 +ATOM C CA . VAL C0 3 28 . 28 VAL C0 CA 0 -9.956454 8.069908 13.555922 1 892 1 +ATOM C C . VAL C0 3 28 . 28 VAL C0 C 0 -11.033719 7.3809676 14.398642 1 893 1 +ATOM O O . VAL C0 3 28 . 28 VAL C0 O 0 -11.817657 8.036966 15.0721 1 894 1 +ATOM C CB . VAL C0 3 28 . 28 VAL C0 CB 0 -10.384613 8.139744 12.072937 1 895 1 +ATOM C CG1 . VAL C0 3 28 . 28 VAL C0 CG1 0 -11.814822 8.66833 11.954891 1 896 1 +ATOM C CG2 . VAL C0 3 28 . 28 VAL C0 CG2 0 -9.426958 9.027848 11.282909 1 897 1 +ATOM N N . ASP C0 3 29 . 29 ASP C0 N 0 -11.011254 6.0508995 14.354828 1 898 1 +ATOM C CA . ASP C0 3 29 . 29 ASP C0 CA 0 -11.8972845 5.221575 15.170872 1 899 1 +ATOM C C . ASP C0 3 29 . 29 ASP C0 C 0 -11.097395 3.9794521 15.551895 1 900 1 +ATOM O O . ASP C0 3 29 . 29 ASP C0 O 0 -11.002178 3.033524 14.774406 1 901 1 +ATOM C CB . ASP C0 3 29 . 29 ASP C0 CB 0 -13.150813 4.8533278 14.378381 1 902 1 +ATOM C CG . ASP C0 3 29 . 29 ASP C0 CG 0 -14.189365 4.1107025 15.211432 1 903 1 +ATOM O OD1 . ASP C0 3 29 . 29 ASP C0 OD1 0 -13.820624 3.4916663 16.231583 1 904 1 +ATOM O OD2 . ASP C0 3 29 . 29 ASP C0 OD2 0 -15.381542 4.1337595 14.828966 1 905 1 +ATOM N N . LYS C0 3 30 . 30 LYS C0 N 0 -10.514751 4.019866 16.747616 1 906 1 +ATOM C CA . LYS C0 3 30 . 30 LYS C0 CA 0 -9.589814 2.9929998 17.193651 1 907 1 +ATOM C C . LYS C0 3 30 . 30 LYS C0 C 0 -10.218251 1.6062127 17.264622 1 908 1 +ATOM O O . LYS C0 3 30 . 30 LYS C0 O 0 -9.611396 0.61746734 16.854042 1 909 1 +ATOM C CB . LYS C0 3 30 . 30 LYS C0 CB 0 -9.010452 3.3778317 18.552544 1 910 1 +ATOM C CG . LYS C0 3 30 . 30 LYS C0 CG 0 -7.855504 2.5264158 19.016155 1 911 1 +ATOM C CD . LYS C0 3 30 . 30 LYS C0 CD 0 -7.348531 3.041835 20.35062 1 912 1 +ATOM C CE . LYS C0 3 30 . 30 LYS C0 CE 0 -6.195273 2.2058578 20.87314 1 913 1 +ATOM N NZ . LYS C0 3 30 . 30 LYS C0 NZ 0 -5.731882 2.7222881 22.180775 1 914 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 -11.427662 1.5508475 17.774439 1 915 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 -12.127505 0.2837345 17.930477 1 916 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 -12.466297 -0.36523634 16.590519 1 917 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 -12.537847 -1.5832376 16.485897 1 918 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 -13.410656 0.4737016 18.7526 1 919 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 -13.135377 1.0216155 20.137978 1 920 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 -12.345697 0.39703697 20.882298 1 921 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 -13.689971 2.0893881 20.474934 1 922 1 +ATOM N N . LYS C0 3 32 . 32 LYS C0 N 0 -12.661831 0.46791258 15.57999 1 923 1 +ATOM C CA . LYS C0 3 32 . 32 LYS C0 CA 0 -12.99865 -0.016143063 14.248344 1 924 1 +ATOM C C . LYS C0 3 32 . 32 LYS C0 C 0 -11.752889 -0.2190195 13.3743725 1 925 1 +ATOM O O . LYS C0 3 32 . 32 LYS C0 O 0 -11.828299 -0.83169436 12.303313 1 926 1 +ATOM C CB . LYS C0 3 32 . 32 LYS C0 CB 0 -13.968962 0.9490347 13.571748 1 927 1 +ATOM C CG . LYS C0 3 32 . 32 LYS C0 CG 0 -14.733894 0.32927102 12.414289 1 928 1 +ATOM C CD . LYS C0 3 32 . 32 LYS C0 CD 0 -15.899871 1.2150462 11.988651 1 929 1 +ATOM C CE . LYS C0 3 32 . 32 LYS C0 CE 0 -16.786112 0.50230074 10.974577 1 930 1 +ATOM N NZ . LYS C0 3 32 . 32 LYS C0 NZ 0 -17.284817 -0.80595756 11.489979 1 931 1 +ATOM N N . GLY C0 3 33 . 33 GLY C0 N 0 -10.617088 0.29213402 13.829548 1 932 1 +ATOM C CA . GLY C0 3 33 . 33 GLY C0 CA 0 -9.373139 0.17285061 13.080514 1 933 1 +ATOM C C . GLY C0 3 33 . 33 GLY C0 C 0 -9.219624 1.2041754 11.97545 1 934 1 +ATOM O O . GLY C0 3 33 . 33 GLY C0 O 0 -8.443292 1.0016975 11.039296 1 935 1 +ATOM N N . THR C0 3 34 . 34 THR C0 N 0 -9.941729 2.313411 12.094139 1 936 1 +ATOM C CA . THR C0 3 34 . 34 THR C0 CA 0 -9.8966675 3.3619213 11.081564 1 937 1 +ATOM C C . THR C0 3 34 . 34 THR C0 C 0 -8.821351 4.3877926 11.426557 1 938 1 +ATOM O O . THR C0 3 34 . 34 THR C0 O 0 -8.776262 4.884181 12.551003 1 939 1 +ATOM C CB . THR C0 3 34 . 34 THR C0 CB 0 -11.256561 4.0729504 10.950135 1 940 1 +ATOM O OG1 . THR C0 3 34 . 34 THR C0 OG1 0 -12.281755 3.0884886 10.763723 1 941 1 +ATOM C CG2 . THR C0 3 34 . 34 THR C0 CG2 0 -11.260274 5.02627 9.764463 1 942 1 +ATOM N N . PHE C0 3 35 . 35 PHE C0 N 0 -7.9439297 4.670942 10.465628 1 943 1 +ATOM C CA . PHE C0 3 35 . 35 PHE C0 CA 0 -6.8483934 5.6111984 10.686914 1 944 1 +ATOM C C . PHE C0 3 35 . 35 PHE C0 C 0 -6.720502 6.585761 9.525663 1 945 1 +ATOM O O . PHE C0 3 35 . 35 PHE C0 O 0 -7.2716565 6.370387 8.449166 1 946 1 +ATOM C CB . PHE C0 3 35 . 35 PHE C0 CB 0 -5.5248256 4.857743 10.9139805 1 947 1 +ATOM C CG . PHE C0 3 35 . 35 PHE C0 CG 0 -5.104392 3.9901133 9.751993 1 948 1 +ATOM C CD1 . PHE C0 3 35 . 35 PHE C0 CD1 0 -5.6511908 2.7239985 9.574571 1 949 1 +ATOM C CD2 . PHE C0 3 35 . 35 PHE C0 CD2 0 -4.1394825 4.4256563 8.848522 1 950 1 +ATOM C CE1 . PHE C0 3 35 . 35 PHE C0 CE1 0 -5.2537117 1.9147094 8.5077915 1 951 1 +ATOM C CE2 . PHE C0 3 35 . 35 PHE C0 CE2 0 -3.735422 3.620131 7.7846794 1 952 1 +ATOM C CZ . PHE C0 3 35 . 35 PHE C0 CZ 0 -4.297324 2.3679924 7.618613 1 953 1 +ATOM N N . GLN C0 3 36 . 36 GLN C0 N 0 -6.0180573 7.691303 9.7645035 1 954 1 +ATOM C CA . GLN C0 3 36 . 36 GLN C0 CA 0 -5.9234686 8.7475605 8.765481 1 955 1 +ATOM C C . GLN C0 3 36 . 36 GLN C0 C 0 -4.538478 9.382837 8.726146 1 956 1 +ATOM O O . GLN C0 3 36 . 36 GLN C0 O 0 -3.8888865 9.538255 9.761548 1 957 1 +ATOM C CB . GLN C0 3 36 . 36 GLN C0 CB 0 -6.967672 9.823929 9.050409 1 958 1 +ATOM C CG . GLN C0 3 36 . 36 GLN C0 CG 0 -7.0376215 10.932666 8.009378 1 959 1 +ATOM C CD . GLN C0 3 36 . 36 GLN C0 CD 0 -8.241516 11.843988 8.194323 1 960 1 +ATOM O OE1 . GLN C0 3 36 . 36 GLN C0 OE1 0 -9.177064 11.851456 7.3915 1 961 1 +ATOM N NE2 . GLN C0 3 36 . 36 GLN C0 NE2 0 -8.235183 12.597948 9.279003 1 962 1 +ATOM N N . PHE C0 3 37 . 37 PHE C0 N 0 -4.0886364 9.731796 7.520282 1 963 1 +ATOM C CA . PHE C0 3 37 . 37 PHE C0 CA 0 -2.8208039 10.418981 7.3311267 1 964 1 +ATOM C C . PHE C0 3 37 . 37 PHE C0 C 0 -3.0163488 11.931683 7.3243933 1 965 1 +ATOM O O . PHE C0 3 37 . 37 PHE C0 O 0 -4.051147 12.4238 6.8824854 1 966 1 +ATOM C CB . PHE C0 3 37 . 37 PHE C0 CB 0 -2.1714027 10.010805 6.00268 1 967 1 +ATOM C CG . PHE C0 3 37 . 37 PHE C0 CG 0 -1.7564404 8.567539 5.9275055 1 968 1 +ATOM C CD1 . PHE C0 3 37 . 37 PHE C0 CD1 0 -2.5208628 7.6527987 5.216501 1 969 1 +ATOM C CD2 . PHE C0 3 37 . 37 PHE C0 CD2 0 -0.607017 8.129638 6.5666304 1 970 1 +ATOM C CE1 . PHE C0 3 37 . 37 PHE C0 CE1 0 -2.1506014 6.3149548 5.1419163 1 971 1 +ATOM C CE2 . PHE C0 3 37 . 37 PHE C0 CE2 0 -0.22425506 6.7941556 6.498227 1 972 1 +ATOM C CZ . PHE C0 3 37 . 37 PHE C0 CZ 0 -0.9914162 5.8889294 5.7891726 1 973 1 +ATOM N N . SER C0 3 38 . 38 SER C0 N 0 -2.0147085 12.658254 7.7967253 1 974 1 +ATOM C CA . SER C0 3 38 . 38 SER C0 CA 0 -2.0154457 14.117947 7.730475 1 975 1 +ATOM C C . SER C0 3 38 . 38 SER C0 C 0 -1.6428123 14.581234 6.3160634 1 976 1 +ATOM O O . SER C0 3 38 . 38 SER C0 O 0 -0.7454456 14.014767 5.694655 1 977 1 +ATOM C CB . SER C0 3 38 . 38 SER C0 CB 0 -1.0160488 14.689474 8.732395 1 978 1 +ATOM O OG . SER C0 3 38 . 38 SER C0 OG 0 -0.64936084 16.012968 8.406181 1 979 1 +ATOM N N . SER C0 3 39 . 39 SER C0 N 0 -2.3013182 15.603783 5.8222237 1 980 1 +ATOM C CA . SER C0 3 39 . 39 SER C0 CA 0 -1.9522631 16.184538 4.5213695 1 981 1 +ATOM C C . SER C0 3 39 . 39 SER C0 C 0 -0.5249659 16.730541 4.522266 1 982 1 +ATOM O O . SER C0 3 39 . 39 SER C0 O 0 0.23667264 16.49044 3.584922 1 983 1 +ATOM C CB . SER C0 3 39 . 39 SER C0 CB 0 -2.924252 17.30967 4.156584 1 984 1 +ATOM O OG . SER C0 3 39 . 39 SER C0 OG 0 -4.2104774 16.779816 3.8345351 1 985 1 +ATOM N N . LYS C0 3 40 . 40 LYS C0 N 0 -0.15960112 17.445683 5.5844874 1 986 1 +ATOM C CA . LYS C0 3 40 . 40 LYS C0 CA 0 1.1380222 18.11901 5.650891 1 987 1 +ATOM C C . LYS C0 3 40 . 40 LYS C0 C 0 2.2998066 17.203506 6.020821 1 988 1 +ATOM O O . LYS C0 3 40 . 40 LYS C0 O 0 3.4349031 17.473713 5.6314793 1 989 1 +ATOM C CB . LYS C0 3 40 . 40 LYS C0 CB 0 1.0751829 19.301723 6.622754 1 990 1 +ATOM C CG . LYS C0 3 40 . 40 LYS C0 CG 0 0.1881882 20.439064 6.1308117 1 991 1 +ATOM C CD . LYS C0 3 40 . 40 LYS C0 CD 0 0.39591455 21.716831 6.9174156 1 992 1 +ATOM C CE . LYS C0 3 40 . 40 LYS C0 CE 0 -0.5291567 22.80623 6.400125 1 993 1 +ATOM N NZ . LYS C0 3 40 . 40 LYS C0 NZ 0 -0.08869551 24.169563 6.8042965 1 994 1 +ATOM N N . HIS C0 3 41 . 41 HIS C0 N 0 2.0445528 16.153673 6.7737613 1 995 1 +ATOM C CA . HIS C0 3 41 . 41 HIS C0 CA 0 3.138668 15.352336 7.3103657 1 996 1 +ATOM C C . HIS C0 3 41 . 41 HIS C0 C 0 3.2002313 13.903286 6.816063 1 997 1 +ATOM O O . HIS C0 3 41 . 41 HIS C0 O 0 4.0008755 13.117613 7.309716 1 998 1 +ATOM C CB . HIS C0 3 41 . 41 HIS C0 CB 0 3.1018584 15.385031 8.8459215 1 999 1 +ATOM C CG . HIS C0 3 41 . 41 HIS C0 CG 0 3.1446743 16.780355 9.395651 1 1000 1 +ATOM N ND1 . HIS C0 3 41 . 41 HIS C0 ND1 0 2.0248897 17.42775 9.868265 1 1001 1 +ATOM C CD2 . HIS C0 3 41 . 41 HIS C0 CD2 0 4.15809 17.660728 9.5332985 1 1002 1 +ATOM C CE1 . HIS C0 3 41 . 41 HIS C0 CE1 0 2.352673 18.653273 10.26606 1 1003 1 +ATOM N NE2 . HIS C0 3 41 . 41 HIS C0 NE2 0 3.6562026 18.813408 10.066367 1 1004 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 2.3786476 13.566017 5.8330154 1 1005 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 2.354543 12.203516 5.3105664 1 1006 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 3.652072 11.803078 4.6101465 1 1007 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 4.041109 10.633652 4.6542463 1 1008 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 1.1632288 11.999529 4.3653874 1 1009 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 1.146714 12.91012 3.1566215 1 1010 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 -0.14064538 12.706047 2.3595953 1 1011 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 -0.2029522 13.542646 1.0839853 1 1012 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 -0.36297926 14.969933 1.3659911 1 1013 1 +ATOM N N . GLU C0 3 43 . 43 GLU C0 N 0 4.332283 12.747686 3.9925551 1 1014 1 +ATOM C CA . GLU C0 3 43 . 43 GLU C0 CA 0 5.5784397 12.450321 3.3008163 1 1015 1 +ATOM C C . GLU C0 3 43 . 43 GLU C0 C 0 6.687791 12.032951 4.2570686 1 1016 1 +ATOM O O . GLU C0 3 43 . 43 GLU C0 O 0 7.520673 11.190975 3.9085927 1 1017 1 +ATOM C CB . GLU C0 3 43 . 43 GLU C0 CB 0 6.035638 13.643739 2.4500408 1 1018 1 +ATOM C CG . GLU C0 3 43 . 43 GLU C0 CG 0 5.07199 14.047571 1.3269022 1 1019 1 +ATOM C CD . GLU C0 3 43 . 43 GLU C0 CD 0 4.9253054 12.992329 0.23468089 1 1020 1 +ATOM O OE1 . GLU C0 3 43 . 43 GLU C0 OE1 0 4.00438 13.134008 -0.6015877 1 1021 1 +ATOM O OE2 . GLU C0 3 43 . 43 GLU C0 OE2 0 5.7198668 12.019981 0.21600214 1 1022 1 +ATOM N N . ALA C0 3 44 . 44 ALA C0 N 0 6.6981106 12.605022 5.4546475 1 1023 1 +ATOM C CA . ALA C0 3 44 . 44 ALA C0 CA 0 7.692639 12.234081 6.4628606 1 1024 1 +ATOM C C . ALA C0 3 44 . 44 ALA C0 C 0 7.5515857 10.758266 6.8405066 1 1025 1 +ATOM O O . ALA C0 3 44 . 44 ALA C0 O 0 8.539915 10.027519 6.936441 1 1026 1 +ATOM C CB . ALA C0 3 44 . 44 ALA C0 CB 0 7.550198 13.1059065 7.7020283 1 1027 1 +ATOM N N . LEU C0 3 45 . 45 LEU C0 N 0 6.3183727 10.328826 7.0336514 1 1028 1 +ATOM C CA . LEU C0 3 45 . 45 LEU C0 CA 0 6.050723 8.936348 7.3662477 1 1029 1 +ATOM C C . LEU C0 3 45 . 45 LEU C0 C 0 6.4294376 8.009796 6.210414 1 1030 1 +ATOM O O . LEU C0 3 45 . 45 LEU C0 O 0 7.044732 6.969324 6.4243793 1 1031 1 +ATOM C CB . LEU C0 3 45 . 45 LEU C0 CB 0 4.577599 8.757221 7.7430825 1 1032 1 +ATOM C CG . LEU C0 3 45 . 45 LEU C0 CG 0 4.1651053 7.389487 8.288988 1 1033 1 +ATOM C CD1 . LEU C0 3 45 . 45 LEU C0 CD1 0 2.9938655 7.543559 9.251825 1 1034 1 +ATOM C CD2 . LEU C0 3 45 . 45 LEU C0 CD2 0 3.8232832 6.4031277 7.1902637 1 1035 1 +ATOM N N . ALA C0 3 46 . 46 ALA C0 N 0 6.0681276 8.406357 4.9887323 1 1036 1 +ATOM C CA . ALA C0 3 46 . 46 ALA C0 CA 0 6.388303 7.6062355 3.813474 1 1037 1 +ATOM C C . ALA C0 3 46 . 46 ALA C0 C 0 7.899686 7.459415 3.6474411 1 1038 1 +ATOM O O . ALA C0 3 46 . 46 ALA C0 O 0 8.397201 6.379674 3.3261108 1 1039 1 +ATOM C CB . ALA C0 3 46 . 46 ALA C0 CB 0 5.773733 8.232338 2.5628695 1 1040 1 +ATOM N N . HIS C0 3 47 . 47 HIS C0 N 0 8.62493 8.535466 3.87884 1 1041 1 +ATOM C CA . HIS C0 3 47 . 47 HIS C0 CA 0 10.078464 8.507819 3.7727091 1 1042 1 +ATOM C C . HIS C0 3 47 . 47 HIS C0 C 0 10.687589 7.5475564 4.795933 1 1043 1 +ATOM O O . HIS C0 3 47 . 47 HIS C0 O 0 11.60011 6.789951 4.468867 1 1044 1 +ATOM C CB . HIS C0 3 47 . 47 HIS C0 CB 0 10.654345 9.923215 3.9446337 1 1045 1 +ATOM C CG . HIS C0 3 47 . 47 HIS C0 CG 0 12.121398 9.998052 3.6130095 1 1046 1 +ATOM N ND1 . HIS C0 3 47 . 47 HIS C0 ND1 0 12.926079 11.048712 4.0288296 1 1047 1 +ATOM C CD2 . HIS C0 3 47 . 47 HIS C0 CD2 0 12.929215 9.177969 2.9085133 1 1048 1 +ATOM C CE1 . HIS C0 3 47 . 47 HIS C0 CE1 0 14.158337 10.854595 3.5894856 1 1049 1 +ATOM N NE2 . HIS C0 3 47 . 47 HIS C0 NE2 0 14.196712 9.722593 2.9128072 1 1050 1 +ATOM N N . ARG C0 3 48 . 48 ARG C0 N 0 10.167119 7.5495777 6.016907 1 1051 1 +ATOM C CA . ARG C0 3 48 . 48 ARG C0 CA 0 10.649525 6.615842 7.0246763 1 1052 1 +ATOM C C . ARG C0 3 48 . 48 ARG C0 C 0 10.410261 5.1738596 6.5835085 1 1053 1 +ATOM O O . ARG C0 3 48 . 48 ARG C0 O 0 11.257061 4.3093176 6.7919827 1 1054 1 +ATOM C CB . ARG C0 3 48 . 48 ARG C0 CB 0 9.97461 6.863614 8.375759 1 1055 1 +ATOM C CG . ARG C0 3 48 . 48 ARG C0 CG 0 10.312859 5.7633 9.384677 1 1056 1 +ATOM C CD . ARG C0 3 48 . 48 ARG C0 CD 0 9.576255 5.918207 10.688696 1 1057 1 +ATOM N NE . ARG C0 3 48 . 48 ARG C0 NE 0 10.214308 6.87088 11.570223 1 1058 1 +ATOM C CZ . ARG C0 3 48 . 48 ARG C0 CZ 0 9.809899 7.1208334 12.804 1 1059 1 +ATOM N NH1 . ARG C0 3 48 . 48 ARG C0 NH1 0 10.464609 8.011055 13.533426 1 1060 1 +ATOM N NH2 . ARG C0 3 48 . 48 ARG C0 NH2 0 8.780985 6.469549 13.322687 1 1061 1 +ATOM N N . TRP C0 3 49 . 49 TRP C0 N 0 9.263532 4.9265184 5.991631 1 1062 1 +ATOM C CA . TRP C0 3 49 . 49 TRP C0 CA 0 8.956039 3.591169 5.475054 1 1063 1 +ATOM C C . TRP C0 3 49 . 49 TRP C0 C 0 10.014805 3.1808472 4.450498 1 1064 1 +ATOM O O . TRP C0 3 49 . 49 TRP C0 O 0 10.504171 2.0468063 4.4832077 1 1065 1 +ATOM C CB . TRP C0 3 49 . 49 TRP C0 CB 0 7.5577087 3.5737498 4.85625 1 1066 1 +ATOM C CG . TRP C0 3 49 . 49 TRP C0 CG 0 7.195245 2.3183858 4.1085443 1 1067 1 +ATOM C CD1 . TRP C0 3 49 . 49 TRP C0 CD1 0 6.739546 2.2369728 2.8225713 1 1068 1 +ATOM C CD2 . TRP C0 3 49 . 49 TRP C0 CD2 0 7.2551155 0.96457034 4.5809393 1 1069 1 +ATOM N NE1 . TRP C0 3 49 . 49 TRP C0 NE1 0 6.501112 0.9370828 2.4735303 1 1070 1 +ATOM C CE2 . TRP C0 3 49 . 49 TRP C0 CE2 0 6.811157 0.12568536 3.5368829 1 1071 1 +ATOM C CE3 . TRP C0 3 49 . 49 TRP C0 CE3 0 7.638953 0.37986356 5.7896285 1 1072 1 +ATOM C CZ2 . TRP C0 3 49 . 49 TRP C0 CZ2 0 6.7407417 -1.262037 3.6615224 1 1073 1 +ATOM C CZ3 . TRP C0 3 49 . 49 TRP C0 CZ3 0 7.56703 -1.0101178 5.913952 1 1074 1 +ATOM C CH2 . TRP C0 3 49 . 49 TRP C0 CH2 0 7.118947 -1.8012862 4.851135 1 1075 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 10.380495 4.0899935 3.5510898 1 1076 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 11.397116 3.8022604 2.5466938 1 1077 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 12.760366 3.5141258 3.1488626 1 1078 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 13.456888 2.5968742 2.707398 1 1079 1 +ATOM N N . ILE C0 3 51 . 51 ILE C0 N 0 13.151143 4.28058 4.1544523 1 1080 1 +ATOM C CA . ILE C0 3 51 . 51 ILE C0 CA 0 14.429218 4.073933 4.842956 1 1081 1 +ATOM C C . ILE C0 3 51 . 51 ILE C0 C 0 14.469161 2.6772785 5.4581385 1 1082 1 +ATOM O O . ILE C0 3 51 . 51 ILE C0 O 0 15.444174 1.9490671 5.3039894 1 1083 1 +ATOM C CB . ILE C0 3 51 . 51 ILE C0 CB 0 14.643862 5.140009 5.940508 1 1084 1 +ATOM C CG1 . ILE C0 3 51 . 51 ILE C0 CG1 0 14.78804 6.5329447 5.316971 1 1085 1 +ATOM C CG2 . ILE C0 3 51 . 51 ILE C0 CG2 0 15.887955 4.797341 6.7721877 1 1086 1 +ATOM C CD1 . ILE C0 3 51 . 51 ILE C0 CD1 0 14.670137 7.66673 6.3331194 1 1087 1 +ATOM N N . GLN C0 3 52 . 52 GLN C0 N 0 13.392231 2.3147745 6.139226 1 1088 1 +ATOM C CA . GLN C0 3 52 . 52 GLN C0 CA 0 13.3023615 1.0177985 6.7879686 1 1089 1 +ATOM C C . GLN C0 3 52 . 52 GLN C0 C 0 13.431105 -0.14095035 5.798196 1 1090 1 +ATOM O O . GLN C0 3 52 . 52 GLN C0 O 0 14.102306 -1.1266358 6.080055 1 1091 1 +ATOM C CB . GLN C0 3 52 . 52 GLN C0 CB 0 11.988876 0.907302 7.554424 1 1092 1 +ATOM C CG . GLN C0 3 52 . 52 GLN C0 CG 0 11.812344 -0.43339014 8.239987 1 1093 1 +ATOM C CD . GLN C0 3 52 . 52 GLN C0 CD 0 10.85684 -0.35922992 9.414234 1 1094 1 +ATOM O OE1 . GLN C0 3 52 . 52 GLN C0 OE1 0 10.540215 0.72818273 9.914629 1 1095 1 +ATOM N NE2 . GLN C0 3 52 . 52 GLN C0 NE2 0 10.390322 -1.5122638 9.8692045 1 1096 1 +ATOM N N . LYS C0 3 53 . 53 LYS C0 N 0 12.783048 -0.02157357 4.65057 1 1097 1 +ATOM C CA . LYS C0 3 53 . 53 LYS C0 CA 0 12.827635 -1.0739045 3.6290889 1 1098 1 +ATOM C C . LYS C0 3 53 . 53 LYS C0 C 0 14.149192 -1.0903671 2.849956 1 1099 1 +ATOM O O . LYS C0 3 53 . 53 LYS C0 O 0 14.430114 -2.0675826 2.140089 1 1100 1 +ATOM C CB . LYS C0 3 53 . 53 LYS C0 CB 0 11.667353 -0.9214288 2.657146 1 1101 1 +ATOM C CG . LYS C0 3 53 . 53 LYS C0 CG 0 10.289207 -1.2388673 3.2410827 1 1102 1 +ATOM C CD . LYS C0 3 53 . 53 LYS C0 CD 0 10.0756645 -2.7431145 3.4615755 1 1103 1 +ATOM C CE . LYS C0 3 53 . 53 LYS C0 CE 0 10.126297 -3.5700262 2.175951 1 1104 1 +ATOM N NZ . LYS C0 3 53 . 53 LYS C0 NZ 0 8.818366 -3.5874028 1.5146258 1 1105 1 +ATOM N N . GLY C0 3 54 . 54 GLY C0 N 0 14.946594 -0.05433239 2.9707003 1 1106 1 +ATOM C CA . GLY C0 3 54 . 54 GLY C0 CA 0 16.200186 0.030786566 2.229006 1 1107 1 +ATOM C C . GLY C0 3 54 . 54 GLY C0 C 0 15.998009 0.17767897 0.73335946 1 1108 1 +ATOM O O . GLY C0 3 54 . 54 GLY C0 O 0 16.785316 -0.3541324 -0.047610734 1 1109 1 +ATOM N N . ASN C0 3 55 . 55 ASN C0 N 0 14.940463 0.8799769 0.3407477 1 1110 1 +ATOM C CA . ASN C0 3 55 . 55 ASN C0 CA 0 14.665026 1.1196468 -1.0691133 1 1111 1 +ATOM C C . ASN C0 3 55 . 55 ASN C0 C 0 15.769287 1.971089 -1.6798742 1 1112 1 +ATOM O O . ASN C0 3 55 . 55 ASN C0 O 0 16.364273 2.801117 -0.99385667 1 1113 1 +ATOM C CB . ASN C0 3 55 . 55 ASN C0 CB 0 13.317694 1.8309069 -1.2525772 1 1114 1 +ATOM C CG . ASN C0 3 55 . 55 ASN C0 CG 0 12.139987 0.9859779 -0.8168726 1 1115 1 +ATOM O OD1 . ASN C0 3 55 . 55 ASN C0 OD1 0 11.073307 1.5122677 -0.47208565 1 1116 1 +ATOM N ND2 . ASN C0 3 55 . 55 ASN C0 ND2 0 12.299855 -0.33342534 -0.82660556 1 1117 1 +ATOM N N . ARG C0 3 56 . 56 ARG C0 N 0 16.052036 1.7426243 -2.9793944 1 1118 1 +ATOM C CA . ARG C0 3 56 . 56 ARG C0 CA 0 17.111393 2.5281668 -3.6193285 1 1119 1 +ATOM C C . ARG C0 3 56 . 56 ARG C0 C 0 16.667465 3.961577 -3.872178 1 1120 1 +ATOM O O . ARG C0 3 56 . 56 ARG C0 O 0 17.463886 4.892065 -3.772739 1 1121 1 +ATOM C CB . ARG C0 3 56 . 56 ARG C0 CB 0 17.596687 1.8499815 -4.9104624 1 1122 1 +ATOM C CG . ARG C0 3 56 . 56 ARG C0 CG 0 16.914452 2.2828684 -6.1896353 1 1123 1 +ATOM C CD . ARG C0 3 56 . 56 ARG C0 CD 0 17.536757 1.5668142 -7.4201984 1 1124 1 +ATOM N NE . ARG C0 3 56 . 56 ARG C0 NE 0 18.996834 1.55139 -7.4087205 1 1125 1 +ATOM C CZ . ARG C0 3 56 . 56 ARG C0 CZ 0 19.797401 2.3848066 -8.092427 1 1126 1 +ATOM N NH1 . ARG C0 3 56 . 56 ARG C0 NH1 0 21.107159 2.3038085 -7.988145 1 1127 1 +ATOM N NH2 . ARG C0 3 56 . 56 ARG C0 NH2 0 19.262365 3.3269606 -8.865374 1 1128 1 +ATOM N N . LYS C0 3 57 . 57 LYS C0 N 0 15.386801 4.135056 -4.182772 1 1129 1 +ATOM C CA . LYS C0 3 57 . 57 LYS C0 CA 0 14.826243 5.4721437 -4.3912554 1 1130 1 +ATOM C C . LYS C0 3 57 . 57 LYS C0 C 0 14.036786 5.931262 -3.1764212 1 1131 1 +ATOM O O . LYS C0 3 57 . 57 LYS C0 O 0 13.666594 5.1263723 -2.3224201 1 1132 1 +ATOM C CB . LYS C0 3 57 . 57 LYS C0 CB 0 13.932145 5.499528 -5.632949 1 1133 1 +ATOM C CG . LYS C0 3 57 . 57 LYS C0 CG 0 14.670038 5.302088 -6.9433756 1 1134 1 +ATOM C CD . LYS C0 3 57 . 57 LYS C0 CD 0 13.808764 5.72748 -8.138214 1 1135 1 +ATOM C CE . LYS C0 3 57 . 57 LYS C0 CE 0 13.754992 7.2345486 -8.267155 1 1136 1 +ATOM N NZ . LYS C0 3 57 . 57 LYS C0 NZ 0 13.1528225 7.682513 -9.555403 1 1137 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 13.766951 7.210399 -3.0990024 1 1138 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 13.013964 7.7880983 -1.9983008 1 1139 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 11.544193 7.382518 -2.0693507 1 1140 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 10.940426 7.3990917 -3.1431603 1 1141 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 13.134127 9.31175 -2.010026 1 1142 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 12.576386 9.978128 -0.76615417 1 1143 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 12.686122 11.497398 -0.8555422 1 1144 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 12.009981 12.159 0.3338603 1 1145 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 12.0202675 13.641331 0.23784143 1 1146 1 +ATOM N N . MET C0 3 59 . 59 MET C0 N 0 10.985967 7.012347 -0.9081702 1 1147 1 +ATOM C CA . MET C0 3 59 . 59 MET C0 CA 0 9.574631 6.6375017 -0.8280698 1 1148 1 +ATOM C C . MET C0 3 59 . 59 MET C0 C 0 8.719185 7.886691 -0.6797754 1 1149 1 +ATOM O O . MET C0 3 59 . 59 MET C0 O 0 9.068506 8.802933 0.07356031 1 1150 1 +ATOM C CB . MET C0 3 59 . 59 MET C0 CB 0 9.346293 5.690465 0.35715532 1 1151 1 +ATOM C CG . MET C0 3 59 . 59 MET C0 CG 0 7.8812313 5.282999 0.57715005 1 1152 1 +ATOM S SD . MET C0 3 59 . 59 MET C0 SD 0 7.12582 4.4128265 -0.82064384 1 1153 1 +ATOM C CE . MET C0 3 59 . 59 MET C0 CE 0 8.150198 2.931448 -0.8945753 1 1154 1 +ATOM N N . THR C0 3 60 . 60 THR C0 N 0 7.616542 7.936029 -1.4144084 1 1155 1 +ATOM C CA . THR C0 3 60 . 60 THR C0 CA 0 6.676614 9.048454 -1.343189 1 1156 1 +ATOM C C . THR C0 3 60 . 60 THR C0 C 0 5.331713 8.519781 -0.85149324 1 1157 1 +ATOM O O . THR C0 3 60 . 60 THR C0 O 0 5.06868 7.319227 -0.90814316 1 1158 1 +ATOM C CB . THR C0 3 60 . 60 THR C0 CB 0 6.4579277 9.701565 -2.7214727 1 1159 1 +ATOM O OG1 . THR C0 3 60 . 60 THR C0 OG1 0 5.8901653 8.72557 -3.6071565 1 1160 1 +ATOM C CG2 . THR C0 3 60 . 60 THR C0 CG2 0 7.7747645 10.212181 -3.3010192 1 1161 1 +ATOM N N . TYR C0 3 61 . 61 TYR C0 N 0 4.4716315 9.418185 -0.38454622 1 1162 1 +ATOM C CA . TYR C0 3 61 . 61 TYR C0 CA 0 3.1394155 8.993725 0.028490203 1 1163 1 +ATOM C C . TYR C0 3 61 . 61 TYR C0 C 0 2.3861623 8.348533 -1.1436414 1 1164 1 +ATOM O O . TYR C0 3 61 . 61 TYR C0 O 0 1.6795031 7.3538823 -0.96876526 1 1165 1 +ATOM C CB . TYR C0 3 61 . 61 TYR C0 CB 0 2.3120189 10.15799 0.6015952 1 1166 1 +ATOM C CG . TYR C0 3 61 . 61 TYR C0 CG 0 0.8900489 9.718161 0.8953471 1 1167 1 +ATOM C CD1 . TYR C0 3 61 . 61 TYR C0 CD1 0 -0.14793745 10.0163555 0.014725297 1 1168 1 +ATOM C CD2 . TYR C0 3 61 . 61 TYR C0 CD2 0 0.60249025 8.955491 2.0190597 1 1169 1 +ATOM C CE1 . TYR C0 3 61 . 61 TYR C0 CE1 0 -1.441977 9.5697365 0.25869018 1 1170 1 +ATOM C CE2 . TYR C0 3 61 . 61 TYR C0 CE2 0 -0.684705 8.506489 2.2695942 1 1171 1 +ATOM C CZ . TYR C0 3 61 . 61 TYR C0 CZ 0 -1.6968377 8.812407 1.3837745 1 1172 1 +ATOM O OH . TYR C0 3 61 . 61 TYR C0 OH 0 -2.9724624 8.368296 1.6269224 1 1173 1 +ATOM N N . GLN C0 3 62 . 62 GLN C0 N 0 2.5595224 8.910534 -2.3315794 1 1174 1 +ATOM C CA . GLN C0 3 62 . 62 GLN C0 CA 0 1.877447 8.400118 -3.5146565 1 1175 1 +ATOM C C . GLN C0 3 62 . 62 GLN C0 C 0 2.1892107 6.914505 -3.748382 1 1176 1 +ATOM O O . GLN C0 3 62 . 62 GLN C0 O 0 1.2879897 6.1155324 -4.005431 1 1177 1 +ATOM C CB . GLN C0 3 62 . 62 GLN C0 CB 0 2.263558 9.21826 -4.7406025 1 1178 1 +ATOM C CG . GLN C0 3 62 . 62 GLN C0 CG 0 1.4016248 8.928148 -5.9680285 1 1179 1 +ATOM C CD . GLN C0 3 62 . 62 GLN C0 CD 0 1.7105736 9.843996 -7.1306458 1 1180 1 +ATOM O OE1 . GLN C0 3 62 . 62 GLN C0 OE1 0 2.7427201 9.693108 -7.798138 1 1181 1 +ATOM N NE2 . GLN C0 3 62 . 62 GLN C0 NE2 0 0.8378856 10.815619 -7.3723345 1 1182 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 3.4717236 6.542611 -3.6534252 1 1183 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 3.8675613 5.152259 -3.8308234 1 1184 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 3.4155817 4.278002 -2.6690125 1 1185 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 3.0473962 3.1156096 -2.8714907 1 1186 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 5.3841896 5.047699 -4.0464525 1 1187 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 5.8426623 5.5377364 -5.4164705 1 1188 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 7.3154325 5.2292385 -5.686393 1 1189 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 8.250277 6.084077 -4.8245573 1 1190 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 9.662777 5.8025303 -5.1253138 1 1191 1 +ATOM N N . MET C0 3 64 . 64 MET C0 N 0 3.4494557 4.811454 -1.459727 1 1192 1 +ATOM C CA . MET C0 3 64 . 64 MET C0 CA 0 2.989252 4.05791 -0.30787015 1 1193 1 +ATOM C C . MET C0 3 64 . 64 MET C0 C 0 1.4912448 3.7682524 -0.43317875 1 1194 1 +ATOM O O . MET C0 3 64 . 64 MET C0 O 0 1.0423224 2.658002 -0.13881005 1 1195 1 +ATOM C CB . MET C0 3 64 . 64 MET C0 CB 0 3.2796812 4.8054576 0.9962626 1 1196 1 +ATOM C CG . MET C0 3 64 . 64 MET C0 CG 0 3.1078618 3.9162529 2.229564 1 1197 1 +ATOM S SD . MET C0 3 64 . 64 MET C0 SD 0 3.5852613 4.7389355 3.7729006 1 1198 1 +ATOM C CE . MET C0 3 64 . 64 MET C0 CE 0 2.3012118 5.9711223 3.9016263 1 1199 1 +ATOM N N . ALA C0 3 65 . 65 ALA C0 N 0 0.74172056 4.769758 -0.90590274 1 1200 1 +ATOM C CA . ALA C0 3 65 . 65 ALA C0 CA 0 -0.69303906 4.5982456 -1.1115777 1 1201 1 +ATOM C C . ALA C0 3 65 . 65 ALA C0 C 0 -0.9725617 3.5616555 -2.1984515 1 1202 1 +ATOM O O . ALA C0 3 65 . 65 ALA C0 O 0 -1.9397593 2.7995162 -2.1021068 1 1203 1 +ATOM C CB . ALA C0 3 65 . 65 ALA C0 CB 0 -1.340255 5.930529 -1.4743538 1 1204 1 +ATOM N N . ARG C0 3 66 . 66 ARG C0 N 0 -0.1273159 3.5285728 -3.2440443 1 1205 1 +ATOM C CA . ARG C0 3 66 . 66 ARG C0 CA 0 -0.2502 2.5211082 -4.2933617 1 1206 1 +ATOM C C . ARG C0 3 66 . 66 ARG C0 C 0 -0.13565177 1.1091621 -3.6942039 1 1207 1 +ATOM O O . ARG C0 3 66 . 66 ARG C0 O 0 -0.94170266 0.22557361 -4.0296526 1 1208 1 +ATOM C CB . ARG C0 3 66 . 66 ARG C0 CB 0 0.8371087 2.762119 -5.368651 1 1209 1 +ATOM C CG . ARG C0 3 66 . 66 ARG C0 CG 0 1.0241687 1.6411635 -6.4092197 1 1210 1 +ATOM C CD . ARG C0 3 66 . 66 ARG C0 CD 0 0.0018200674 1.716046 -7.548871 1 1211 1 +ATOM N NE . ARG C0 3 66 . 66 ARG C0 NE 0 -1.1012123 0.8071282 -7.281303 1 1212 1 +ATOM C CZ . ARG C0 3 66 . 66 ARG C0 CZ 0 -1.31071 -0.3182492 -7.9235067 1 1213 1 +ATOM N NH1 . ARG C0 3 66 . 66 ARG C0 NH1 0 -2.331917 -1.088825 -7.5799994 1 1214 1 +ATOM N NH2 . ARG C0 3 66 . 66 ARG C0 NH2 0 -0.4796642 -0.7067239 -8.897833 1 1215 1 +ATOM N N . ALA C0 3 67 . 67 ALA C0 N 0 0.81925786 0.9240041 -2.8133824 1 1216 1 +ATOM C CA . ALA C0 3 67 . 67 ALA C0 CA 0 1.0023468 -0.36145377 -2.1440754 1 1217 1 +ATOM C C . ALA C0 3 67 . 67 ALA C0 C 0 -0.17474757 -0.660989 -1.2156794 1 1218 1 +ATOM O O . ALA C0 3 67 . 67 ALA C0 O 0 -0.6710152 -1.7911918 -1.1550277 1 1219 1 +ATOM C CB . ALA C0 3 67 . 67 ALA C0 CB 0 2.3086882 -0.36819696 -1.3652575 1 1220 1 +ATOM N N . LEU C0 3 68 . 68 LEU C0 N 0 -0.6157706 0.38101104 -0.49576128 1 1221 1 +ATOM C CA . LEU C0 3 68 . 68 LEU C0 CA 0 -1.7462811 0.2651456 0.42093974 1 1222 1 +ATOM C C . LEU C0 3 68 . 68 LEU C0 C 0 -3.0094883 -0.16931623 -0.31240192 1 1223 1 +ATOM O O . LEU C0 3 68 . 68 LEU C0 O 0 -3.7779915 -0.9955822 0.18348768 1 1224 1 +ATOM C CB . LEU C0 3 68 . 68 LEU C0 CB 0 -1.9724538 1.6254292 1.0830357 1 1225 1 +ATOM C CG . LEU C0 3 68 . 68 LEU C0 CG 0 -2.0544991 1.817508 2.5944445 1 1226 1 +ATOM C CD1 . LEU C0 3 68 . 68 LEU C0 CD1 0 -1.5581278 3.216846 2.9251575 1 1227 1 +ATOM C CD2 . LEU C0 3 68 . 68 LEU C0 CD2 0 -1.3380513 0.7607615 3.3837953 1 1228 1 +ATOM N N . ARG C0 3 69 . 69 ARG C0 N 0 -3.20962 0.38919872 -1.517559 1 1229 1 +ATOM C CA . ARG C0 3 69 . 69 ARG C0 CA 0 -4.389614 0.033931997 -2.308769 1 1230 1 +ATOM C C . ARG C0 3 69 . 69 ARG C0 C 0 -4.4439144 -1.4527545 -2.643036 1 1231 1 +ATOM O O . ARG C0 3 69 . 69 ARG C0 O 0 -5.526287 -2.0359015 -2.721527 1 1232 1 +ATOM C CB . ARG C0 3 69 . 69 ARG C0 CB 0 -4.429497 0.83868843 -3.6072192 1 1233 1 +ATOM C CG . ARG C0 3 69 . 69 ARG C0 CG 0 -5.2933035 2.0711286 -3.5486379 1 1234 1 +ATOM C CD . ARG C0 3 69 . 69 ARG C0 CD 0 -5.5352373 2.7093763 -4.9156847 1 1235 1 +ATOM N NE . ARG C0 3 69 . 69 ARG C0 NE 0 -4.376769 2.886986 -5.7684746 1 1236 1 +ATOM C CZ . ARG C0 3 69 . 69 ARG C0 CZ 0 -3.5194755 3.9078948 -5.7174244 1 1237 1 +ATOM N NH1 . ARG C0 3 69 . 69 ARG C0 NH1 0 -3.6861877 4.868044 -4.830507 1 1238 1 +ATOM N NH2 . ARG C0 3 69 . 69 ARG C0 NH2 0 -2.5026658 3.9645205 -6.563322 1 1239 1 +ATOM N N . ASN C0 3 70 . 70 ASN C0 N 0 -3.2821481 -2.0699482 -2.8134847 1 1240 1 +ATOM C CA . ASN C0 3 70 . 70 ASN C0 CA 0 -3.2386973 -3.4978154 -3.1131997 1 1241 1 +ATOM C C . ASN C0 3 70 . 70 ASN C0 C 0 -3.7710147 -4.3489 -1.9564697 1 1242 1 +ATOM O O . ASN C0 3 70 . 70 ASN C0 O 0 -4.2439156 -5.465157 -2.1667264 1 1243 1 +ATOM C CB . ASN C0 3 70 . 70 ASN C0 CB 0 -1.81584 -3.9383483 -3.4879231 1 1244 1 +ATOM C CG . ASN C0 3 70 . 70 ASN C0 CG 0 -1.3807342 -3.424914 -4.8580227 1 1245 1 +ATOM O OD1 . ASN C0 3 70 . 70 ASN C0 OD1 0 -0.18234932 -3.305749 -5.136817 1 1246 1 +ATOM N ND2 . ASN C0 3 70 . 70 ASN C0 ND2 0 -2.339108 -3.1116502 -5.711158 1 1247 1 +ATOM N N . TYR C0 3 71 . 71 TYR C0 N 0 -3.6910033 -3.8187509 -0.73244464 1 1248 1 +ATOM C CA . TYR C0 3 71 . 71 TYR C0 CA 0 -4.2375355 -4.5234547 0.41945627 1 1249 1 +ATOM C C . TYR C0 3 71 . 71 TYR C0 C 0 -5.762166 -4.6318235 0.35814875 1 1250 1 +ATOM O O . TYR C0 3 71 . 71 TYR C0 O 0 -6.3542852 -5.469757 1.0355767 1 1251 1 +ATOM C CB . TYR C0 3 71 . 71 TYR C0 CB 0 -3.8259432 -3.846265 1.7259166 1 1252 1 +ATOM C CG . TYR C0 3 71 . 71 TYR C0 CG 0 -2.3948343 -4.0598173 2.1318274 1 1253 1 +ATOM C CD1 . TYR C0 3 71 . 71 TYR C0 CD1 0 -1.6171148 -2.9989555 2.5939498 1 1254 1 +ATOM C CD2 . TYR C0 3 71 . 71 TYR C0 CD2 0 -1.815986 -5.3250093 2.116679 1 1255 1 +ATOM C CE1 . TYR C0 3 71 . 71 TYR C0 CE1 0 -0.30801797 -3.189701 3.0072927 1 1256 1 +ATOM C CE2 . TYR C0 3 71 . 71 TYR C0 CE2 0 -0.5080557 -5.523557 2.5215797 1 1257 1 +ATOM C CZ . TYR C0 3 71 . 71 TYR C0 CZ 0 0.23485811 -4.451741 2.9684982 1 1258 1 +ATOM O OH . TYR C0 3 71 . 71 TYR C0 OH 0 1.5276605 -4.638795 3.3808794 1 1259 1 +ATOM N N . GLY C0 3 72 . 72 GLY C0 N 0 -6.383196 -3.7931886 -0.46260446 1 1260 1 +ATOM C CA . GLY C0 3 72 . 72 GLY C0 CA 0 -7.824954 -3.8741167 -0.6619173 1 1261 1 +ATOM C C . GLY C0 3 72 . 72 GLY C0 C 0 -8.216674 -5.153986 -1.3856894 1 1262 1 +ATOM O O . GLY C0 3 72 . 72 GLY C0 O 0 -9.298525 -5.6990414 -1.1590412 1 1263 1 +ATOM N N . LYS C0 3 73 . 73 LYS C0 N 0 -7.3179345 -5.6290555 -2.2575912 1 1264 1 +ATOM C CA . LYS C0 3 73 . 73 LYS C0 CA 0 -7.555827 -6.887701 -2.980291 1 1265 1 +ATOM C C . LYS C0 3 73 . 73 LYS C0 C 0 -7.312974 -8.109468 -2.0981498 1 1266 1 +ATOM O O . LYS C0 3 73 . 73 LYS C0 O 0 -7.933344 -9.151872 -2.3135085 1 1267 1 +ATOM C CB . LYS C0 3 73 . 73 LYS C0 CB 0 -6.6692433 -6.9745317 -4.215387 1 1268 1 +ATOM C CG . LYS C0 3 73 . 73 LYS C0 CG 0 -6.901287 -5.8860397 -5.25881 1 1269 1 +ATOM C CD . LYS C0 3 73 . 73 LYS C0 CD 0 -8.271857 -5.9772053 -5.92451 1 1270 1 +ATOM C CE . LYS C0 3 73 . 73 LYS C0 CE 0 -8.575903 -7.297675 -6.6364737 1 1271 1 +ATOM N NZ . LYS C0 3 73 . 73 LYS C0 NZ 0 -8.178268 -7.259816 -8.070841 1 1272 1 +ATOM N N . THR C0 3 74 . 74 THR C0 N 0 -6.426941 -7.9757195 -1.1249535 1 1273 1 +ATOM C CA . THR C0 3 74 . 74 THR C0 CA 0 -6.052619 -9.100421 -0.26294982 1 1274 1 +ATOM C C . THR C0 3 74 . 74 THR C0 C 0 -6.632448 -8.997488 1.1518644 1 1275 1 +ATOM O O . THR C0 3 74 . 74 THR C0 O 0 -6.4771547 -9.9233465 1.9518076 1 1276 1 +ATOM C CB . THR C0 3 74 . 74 THR C0 CB 0 -4.520501 -9.251546 -0.18717378 1 1277 1 +ATOM O OG1 . THR C0 3 74 . 74 THR C0 OG1 0 -3.9479122 -8.019998 0.25237882 1 1278 1 +ATOM C CG2 . THR C0 3 74 . 74 THR C0 CG2 0 -3.9462085 -9.600382 -1.5624826 1 1279 1 +ATOM N N . GLY C0 3 75 . 75 GLY C0 N 0 -7.3042192 -7.888414 1.4588623 1 1280 1 +ATOM C CA . GLY C0 3 75 . 75 GLY C0 CA 0 -8.09535 -7.7639074 2.6654587 1 1281 1 +ATOM C C . GLY C0 3 75 . 75 GLY C0 C 0 -7.4260263 -7.281708 3.942903 1 1282 1 +ATOM O O . GLY C0 3 75 . 75 GLY C0 O 0 -8.075676 -7.238347 4.9920673 1 1283 1 +ATOM N N . GLU C0 3 76 . 76 GLU C0 N 0 -6.1357665 -6.912365 3.9107552 1 1284 1 +ATOM C CA . GLU C0 3 76 . 76 GLU C0 CA 0 -5.4598756 -6.462653 5.131305 1 1285 1 +ATOM C C . GLU C0 3 76 . 76 GLU C0 C 0 -5.8468733 -5.033547 5.502243 1 1286 1 +ATOM O O . GLU C0 3 76 . 76 GLU C0 O 0 -5.9826746 -4.707115 6.690914 1 1287 1 +ATOM C CB . GLU C0 3 76 . 76 GLU C0 CB 0 -3.9337068 -6.568017 4.9830465 1 1288 1 +ATOM C CG . GLU C0 3 76 . 76 GLU C0 CG 0 -3.4237008 -8.0092325 4.8313074 1 1289 1 +ATOM C CD . GLU C0 3 76 . 76 GLU C0 CD 0 -3.2098148 -8.398329 3.3782845 1 1290 1 +ATOM O OE1 . GLU C0 3 76 . 76 GLU C0 OE1 0 -3.881627 -7.8358517 2.4777682 1 1291 1 +ATOM O OE2 . GLU C0 3 76 . 76 GLU C0 OE2 0 -2.3706 -9.274136 3.1147835 1 1292 1 +ATOM N N . VAL C0 3 77 . 77 VAL C0 N 0 -6.0000153 -4.169176 4.5200768 1 1293 1 +ATOM C CA . VAL C0 3 77 . 77 VAL C0 CA 0 -6.3843665 -2.7712555 4.705366 1 1294 1 +ATOM C C . VAL C0 3 77 . 77 VAL C0 C 0 -7.3402677 -2.384499 3.5847394 1 1295 1 +ATOM O O . VAL C0 3 77 . 77 VAL C0 O 0 -7.153552 -2.804282 2.4424186 1 1296 1 +ATOM C CB . VAL C0 3 77 . 77 VAL C0 CB 0 -5.1569414 -1.8250577 4.6686563 1 1297 1 +ATOM C CG1 . VAL C0 3 77 . 77 VAL C0 CG1 0 -5.586 -0.36676168 4.800852 1 1298 1 +ATOM C CG2 . VAL C0 3 77 . 77 VAL C0 CG2 0 -4.1643095 -2.1829028 5.7734895 1 1299 1 +ATOM N N . LYS C0 3 78 . 78 LYS C0 N 0 -8.36136 -1.605386 3.8991094 1 1300 1 +ATOM C CA . LYS C0 3 78 . 78 LYS C0 CA 0 -9.289017 -1.1074712 2.8855305 1 1301 1 +ATOM C C . LYS C0 3 78 . 78 LYS C0 C 0 -9.359829 0.4063884 2.9339652 1 1302 1 +ATOM O O . LYS C0 3 78 . 78 LYS C0 O 0 -9.165042 1.0169613 3.9814038 1 1303 1 +ATOM C CB . LYS C0 3 78 . 78 LYS C0 CB 0 -10.667984 -1.7295659 3.0712562 1 1304 1 +ATOM C CG . LYS C0 3 78 . 78 LYS C0 CG 0 -10.665514 -3.2206738 2.8208911 1 1305 1 +ATOM C CD . LYS C0 3 78 . 78 LYS C0 CD 0 -12.052647 -3.812211 2.846133 1 1306 1 +ATOM C CE . LYS C0 3 78 . 78 LYS C0 CE 0 -11.980075 -5.3119802 2.606621 1 1307 1 +ATOM N NZ . LYS C0 3 78 . 78 LYS C0 NZ 0 -13.352148 -5.9236155 2.59586 1 1308 1 +ATOM N N . LYS C0 3 79 . 79 LYS C0 N 0 -9.629658 1.0096912 1.7797123 1 1309 1 +ATOM C CA . LYS C0 3 79 . 79 LYS C0 CA 0 -9.798911 2.453218 1.6888763 1 1310 1 +ATOM C C . LYS C0 3 79 . 79 LYS C0 C 0 -11.185879 2.8115804 2.2038617 1 1311 1 +ATOM O O . LYS C0 3 79 . 79 LYS C0 O 0 -12.149752 2.1141253 1.9037926 1 1312 1 +ATOM C CB . LYS C0 3 79 . 79 LYS C0 CB 0 -9.661028 2.9038544 0.23556717 1 1313 1 +ATOM C CG . LYS C0 3 79 . 79 LYS C0 CG 0 -9.700397 4.422603 0.03040057 1 1314 1 +ATOM C CD . LYS C0 3 79 . 79 LYS C0 CD 0 -8.486841 5.1184177 0.6422782 1 1315 1 +ATOM C CE . LYS C0 3 79 . 79 LYS C0 CE 0 -8.388941 6.596364 0.24842608 1 1316 1 +ATOM N NZ . LYS C0 3 79 . 79 LYS C0 NZ 0 -8.333065 7.4724627 1.4342679 1 1317 1 +ATOM N N . VAL C0 3 80 . 80 VAL C0 N 0 -11.307758 3.8630733 3.029475 1 1318 1 +ATOM C CA . VAL C0 3 80 . 80 VAL C0 CA 0 -12.633646 4.352989 3.3855064 1 1319 1 +ATOM C C . VAL C0 3 80 . 80 VAL C0 C 0 -12.867432 5.665677 2.6457336 1 1320 1 +ATOM O O . VAL C0 3 80 . 80 VAL C0 O 0 -11.928217 6.3775644 2.308065 1 1321 1 +ATOM C CB . VAL C0 3 80 . 80 VAL C0 CB 0 -12.906585 4.424383 4.9233255 1 1322 1 +ATOM C CG1 . VAL C0 3 80 . 80 VAL C0 CG1 0 -13.050791 5.8609715 5.3970246 1 1323 1 +ATOM C CG2 . VAL C0 3 80 . 80 VAL C0 CG2 0 -11.882399 3.6535573 5.7188826 1 1324 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 -14.12825 5.9536457 2.3434587 1 1325 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 -14.453787 7.081706 1.477111 1 1326 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 -14.337285 8.409999 2.2079175 1 1327 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 -15.303158 9.147451 2.3693871 1 1328 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 -15.847037 6.8966494 0.8301004 1 1329 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 -15.77065 6.021678 -0.39657003 1 1330 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 -17.05179 5.1864853 -0.5906285 1 1331 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 -17.381989 4.3826265 0.6741292 1 1332 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 -16.270224 3.4999976 1.1654536 1 1333 1 +ATOM N N . LYS C0 3 82 . 82 LYS C0 N 0 -13.131665 8.683995 2.6743512 1 1334 1 +ATOM C CA . LYS C0 3 82 . 82 LYS C0 CA 0 -12.7976885 9.933693 3.3416166 1 1335 1 +ATOM C C . LYS C0 3 82 . 82 LYS C0 C 0 -11.34239 10.228905 3.0016336 1 1336 1 +ATOM O O . LYS C0 3 82 . 82 LYS C0 O 0 -10.519882 9.315727 2.9150288 1 1337 1 +ATOM C CB . LYS C0 3 82 . 82 LYS C0 CB 0 -12.998268 9.793913 4.852168 1 1338 1 +ATOM C CG . LYS C0 3 82 . 82 LYS C0 CG 0 -13.108686 11.112797 5.5820055 1 1339 1 +ATOM C CD . LYS C0 3 82 . 82 LYS C0 CD 0 -14.091408 10.999425 6.779074 1 1340 1 +ATOM C CE . LYS C0 3 82 . 82 LYS C0 CE 0 -13.417315 10.493204 8.035765 1 1341 1 +ATOM N NZ . LYS C0 3 82 . 82 LYS C0 NZ 0 -12.390381 11.448317 8.51712 1 1342 1 +ATOM N N . LYS C0 3 83 . 83 LYS C0 N 0 -11.034342 11.500414 2.7838073 1 1343 1 +ATOM C CA . LYS C0 3 83 . 83 LYS C0 CA 0 -9.70984 11.910421 2.3578267 1 1344 1 +ATOM C C . LYS C0 3 83 . 83 LYS C0 C 0 -8.612425 11.378742 3.278934 1 1345 1 +ATOM O O . LYS C0 3 83 . 83 LYS C0 O 0 -8.646553 11.620759 4.492463 1 1346 1 +ATOM C CB . LYS C0 3 83 . 83 LYS C0 CB 0 -9.642824 13.437739 2.2785287 1 1347 1 +ATOM C CG . LYS C0 3 83 . 83 LYS C0 CG 0 -8.409216 13.998337 1.591692 1 1348 1 +ATOM C CD . LYS C0 3 83 . 83 LYS C0 CD 0 -8.574498 15.502832 1.3690641 1 1349 1 +ATOM C CE . LYS C0 3 83 . 83 LYS C0 CE 0 -7.2881894 16.133072 0.8599025 1 1350 1 +ATOM N NZ . LYS C0 3 83 . 83 LYS C0 NZ 0 -7.450758 17.572605 0.60784185 1 1351 1 +ATOM N N . LEU C0 3 84 . 84 LEU C0 N 0 -7.6765704 10.614237 2.7051244 1 1352 1 +ATOM C CA . LEU C0 3 84 . 84 LEU C0 CA 0 -6.5142355 10.082194 3.4142656 1 1353 1 +ATOM C C . LEU C0 3 84 . 84 LEU C0 C 0 -6.846502 9.085552 4.5226083 1 1354 1 +ATOM O O . LEU C0 3 84 . 84 LEU C0 O 0 -5.9886994 8.815559 5.3656893 1 1355 1 +ATOM C CB . LEU C0 3 84 . 84 LEU C0 CB 0 -5.655979 11.234319 3.9707592 1 1356 1 +ATOM C CG . LEU C0 3 84 . 84 LEU C0 CG 0 -5.0381417 12.153095 2.890746 1 1357 1 +ATOM C CD1 . LEU C0 3 84 . 84 LEU C0 CD1 0 -4.657487 13.498468 3.4963388 1 1358 1 +ATOM C CD2 . LEU C0 3 84 . 84 LEU C0 CD2 0 -3.8115351 11.486034 2.26994 1 1359 1 +ATOM N N . THR C0 3 85 . 85 THR C0 N 0 -8.033083 8.517061 4.5350447 1 1360 1 +ATOM C CA . THR C0 3 85 . 85 THR C0 CA 0 -8.36146 7.582962 5.59624 1 1361 1 +ATOM C C . THR C0 3 85 . 85 THR C0 C 0 -8.526391 6.1317596 5.111168 1 1362 1 +ATOM O O . THR C0 3 85 . 85 THR C0 O 0 -9.078833 5.8658123 4.042985 1 1363 1 +ATOM C CB . THR C0 3 85 . 85 THR C0 CB 0 -9.511677 8.070342 6.5376077 1 1364 1 +ATOM O OG1 . THR C0 3 85 . 85 THR C0 OG1 0 -10.625437 7.1967077 6.469598 1 1365 1 +ATOM C CG2 . THR C0 3 85 . 85 THR C0 CG2 0 -9.899807 9.486164 6.2811966 1 1366 1 +ATOM N N . TYR C0 3 86 . 86 TYR C0 N 0 -7.9624643 5.2120867 5.89805 1 1367 1 +ATOM C CA . TYR C0 3 86 . 86 TYR C0 CA 0 -7.930088 3.7903402 5.613166 1 1368 1 +ATOM C C . TYR C0 3 86 . 86 TYR C0 C 0 -8.425231 3.011147 6.819319 1 1369 1 +ATOM O O . TYR C0 3 86 . 86 TYR C0 O 0 -8.66857 3.5879831 7.880418 1 1370 1 +ATOM C CB . TYR C0 3 86 . 86 TYR C0 CB 0 -6.506482 3.3531017 5.2464275 1 1371 1 +ATOM C CG . TYR C0 3 86 . 86 TYR C0 CG 0 -6.032624 3.852457 3.898244 1 1372 1 +ATOM C CD1 . TYR C0 3 86 . 86 TYR C0 CD1 0 -5.573494 5.1556253 3.73667 1 1373 1 +ATOM C CD2 . TYR C0 3 86 . 86 TYR C0 CD2 0 -6.040386 3.0268993 2.7840447 1 1374 1 +ATOM C CE1 . TYR C0 3 86 . 86 TYR C0 CE1 0 -5.1403465 5.63101 2.502892 1 1375 1 +ATOM C CE2 . TYR C0 3 86 . 86 TYR C0 CE2 0 -5.6061344 3.4829478 1.5433171 1 1376 1 +ATOM C CZ . TYR C0 3 86 . 86 TYR C0 CZ 0 -5.1593122 4.781328 1.412521 1 1377 1 +ATOM O OH . TYR C0 3 86 . 86 TYR C0 OH 0 -4.737179 5.240365 0.18419452 1 1378 1 +ATOM N N . GLN C0 3 87 . 87 GLN C0 N 0 -8.571774 1.6959622 6.658792 1 1379 1 +ATOM C CA . GLN C0 3 87 . 87 GLN C0 CA 0 -9.104714 0.8703727 7.7395725 1 1380 1 +ATOM C C . GLN C0 3 87 . 87 GLN C0 C 0 -8.467867 -0.5158681 7.774268 1 1381 1 +ATOM O O . GLN C0 3 87 . 87 GLN C0 O 0 -8.480459 -1.2345717 6.779009 1 1382 1 +ATOM C CB . GLN C0 3 87 . 87 GLN C0 CB 0 -10.620447 0.7485194 7.596897 1 1383 1 +ATOM C CG . GLN C0 3 87 . 87 GLN C0 CG 0 -11.288927 0.00073346053 8.733686 1 1384 1 +ATOM C CD . GLN C0 3 87 . 87 GLN C0 CD 0 -12.790977 -0.060882878 8.567469 1 1385 1 +ATOM O OE1 . GLN C0 3 87 . 87 GLN C0 OE1 0 -13.327377 0.21260852 7.4872847 1 1386 1 +ATOM N NE2 . GLN C0 3 87 . 87 GLN C0 NE2 0 -13.496069 -0.4145444 9.633993 1 1387 1 +ATOM N N . PHE C0 3 88 . 88 PHE C0 N 0 -7.904761 -0.8900037 8.9334 1 1388 1 +ATOM C CA . PHE C0 3 88 . 88 PHE C0 CA 0 -7.35656 -2.2259178 9.134607 1 1389 1 +ATOM C C . PHE C0 3 88 . 88 PHE C0 C 0 -8.483437 -3.2522378 9.2351465 1 1390 1 +ATOM O O . PHE C0 3 88 . 88 PHE C0 O 0 -9.550166 -2.9488933 9.776173 1 1391 1 +ATOM C CB . PHE C0 3 88 . 88 PHE C0 CB 0 -6.534565 -2.2905743 10.420313 1 1392 1 +ATOM C CG . PHE C0 3 88 . 88 PHE C0 CG 0 -5.2204437 -1.5704014 10.366246 1 1393 1 +ATOM C CD1 . PHE C0 3 88 . 88 PHE C0 CD1 0 -5.005433 -0.45539504 11.165394 1 1394 1 +ATOM C CD2 . PHE C0 3 88 . 88 PHE C0 CD2 0 -4.2024107 -2.0154102 9.542555 1 1395 1 +ATOM C CE1 . PHE C0 3 88 . 88 PHE C0 CE1 0 -3.7859468 0.21713722 11.133302 1 1396 1 +ATOM C CE2 . PHE C0 3 88 . 88 PHE C0 CE2 0 -2.984255 -1.35104 9.503326 1 1397 1 +ATOM C CZ . PHE C0 3 88 . 88 PHE C0 CZ 0 -2.7753587 -0.23452678 10.296541 1 1398 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 -8.235598 -4.4492598 8.723335 1 1399 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 -9.183773 -5.5467463 8.888446 1 1400 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 -9.12179 -6.0680003 10.319236 1 1401 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 -8.155948 -5.8148727 11.040321 1 1402 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 -8.861872 -6.6821404 7.9192095 1 1403 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 -7.6527853 -7.3263607 8.294727 1 1404 1 +ATOM N N . GLY C0 3 90 . 90 GLY C0 N 0 -10.163324 -6.7968426 10.721856 1 1405 1 +ATOM C CA . GLY C0 3 90 . 90 GLY C0 CA 0 -10.165823 -7.419713 12.031395 1 1406 1 +ATOM C C . GLY C0 3 90 . 90 GLY C0 C 0 -9.024852 -8.407054 12.188053 1 1407 1 +ATOM O O . GLY C0 3 90 . 90 GLY C0 O 0 -8.461053 -8.54903 13.270955 1 1408 1 +ATOM N N . GLU C0 3 91 . 91 GLU C0 N 0 -8.666563 -9.080513 11.113932 1 1409 1 +ATOM C CA . GLU C0 3 91 . 91 GLU C0 CA 0 -7.5567417 -10.03196 11.117369 1 1410 1 +ATOM C C . GLU C0 3 91 . 91 GLU C0 C 0 -6.247279 -9.343679 11.5070915 1 1411 1 +ATOM O O . GLU C0 3 91 . 91 GLU C0 O 0 -5.497498 -9.850306 12.340637 1 1412 1 +ATOM C CB . GLU C0 3 91 . 91 GLU C0 CB 0 -7.4090023 -10.6922655 9.743051 1 1413 1 +ATOM C CG . GLU C0 3 91 . 91 GLU C0 CG 0 -6.178092 -11.580236 9.583799 1 1414 1 +ATOM C CD . GLU C0 3 91 . 91 GLU C0 CD 0 -6.0229335 -12.130025 8.17973 1 1415 1 +ATOM O OE1 . GLU C0 3 91 . 91 GLU C0 OE1 0 -6.421963 -13.288292 7.9333096 1 1416 1 +ATOM O OE2 . GLU C0 3 91 . 91 GLU C0 OE2 0 -5.5210786 -11.403395 7.3046665 1 1417 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 -5.980009 -8.202389 10.881874 1 1418 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 -4.77008 -7.432479 11.157515 1 1419 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 -4.761774 -6.914145 12.598944 1 1420 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 -3.7124972 -6.812167 13.222513 1 1421 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 -4.6174355 -6.261256 10.154988 1 1422 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 -3.6027822 -5.2385178 10.632463 1 1423 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 -4.2375693 -6.8046827 8.784227 1 1424 1 +ATOM N N . LEU C0 3 93 . 93 LEU C0 N 0 -5.9449377 -6.599366 13.127095 1 1425 1 +ATOM C CA . LEU C0 3 93 . 93 LEU C0 CA 0 -6.0918913 -6.0875273 14.48781 1 1426 1 +ATOM C C . LEU C0 3 93 . 93 LEU C0 C 0 -6.0116367 -7.1840844 15.554955 1 1427 1 +ATOM O O . LEU C0 3 93 . 93 LEU C0 O 0 -5.9922276 -6.883472 16.749401 1 1428 1 +ATOM C CB . LEU C0 3 93 . 93 LEU C0 CB 0 -7.4174385 -5.3324027 14.630351 1 1429 1 +ATOM C CG . LEU C0 3 93 . 93 LEU C0 CG 0 -7.5436773 -4.012258 13.868267 1 1430 1 +ATOM C CD1 . LEU C0 3 93 . 93 LEU C0 CD1 0 -8.982883 -3.5150185 13.906631 1 1431 1 +ATOM C CD2 . LEU C0 3 93 . 93 LEU C0 CD2 0 -6.600319 -2.962904 14.434956 1 1432 1 +ATOM N N . GLY C0 3 94 . 94 GLY C0 N 0 -5.980561 -8.412132 15.143114 1 1433 1 +ATOM C CA . GLY C0 3 94 . 94 GLY C0 CA 0 -5.90746 -9.5297985 16.075506 1 1434 1 +ATOM C C . GLY C0 3 94 . 94 GLY C0 C 0 -7.2184935 -9.834633 16.76111 1 1435 1 +ATOM O O . GLY C0 3 94 . 94 GLY C0 O 0 -7.239935 -10.108965 17.96407 1 1436 1 +ATOM N N . ARG C0 3 95 . 95 ARG C0 N 0 -8.2941065 -9.774039 16.007893 1 1437 1 +ATOM C CA . ARG C0 3 95 . 95 ARG C0 CA 0 -9.629113 -10.055141 16.552109 1 1438 1 +ATOM C C . ARG C0 3 95 . 95 ARG C0 C 0 -10.232682 -11.32021 15.942788 1 1439 1 +ATOM O O . ARG C0 3 95 . 95 ARG C0 O 0 -11.451515 -11.407602 15.771996 1 1440 1 +ATOM C CB . ARG C0 3 95 . 95 ARG C0 CB 0 -10.548728 -8.869096 16.314655 1 1441 1 +ATOM C CG . ARG C0 3 95 . 95 ARG C0 CG 0 -10.331448 -7.7606754 17.33087 1 1442 1 +ATOM C CD . ARG C0 3 95 . 95 ARG C0 CD 0 -11.430206 -6.729741 17.303583 1 1443 1 +ATOM N NE . ARG C0 3 95 . 95 ARG C0 NE 0 -11.18781 -5.677949 16.315533 1 1444 1 +ATOM C CZ . ARG C0 3 95 . 95 ARG C0 CZ 0 -12.123703 -5.2436337 15.466696 1 1445 1 +ATOM N NH1 . ARG C0 3 95 . 95 ARG C0 NH1 0 -11.821736 -4.2791147 14.610432 1 1446 1 +ATOM N NH2 . ARG C0 3 95 . 95 ARG C0 NH2 0 -13.335514 -5.766782 15.472738 1 1447 1 +ATOM N N . GLY C0 3 96 . 96 GLY C0 N 0 -9.385556 -12.288197 15.637344 1 1448 1 +ATOM C CA . GLY C0 3 96 . 96 GLY C0 CA 0 -9.862123 -13.559144 15.113344 1 1449 1 +ATOM C C . GLY C0 3 96 . 96 GLY C0 C 0 -10.685971 -14.293415 16.153187 1 1450 1 +ATOM O O . GLY C0 3 96 . 96 GLY C0 O 0 -10.347113 -14.309179 17.332724 1 1451 1 +ATOM N N . GLY C0 3 97 . 97 GLY C0 N 0 -11.750419 -14.877743 15.692923 1 1452 1 +ATOM C CA . GLY C0 3 97 . 97 GLY C0 CA 0 -12.603229 -15.632338 16.597809 1 1453 1 +ATOM C C . GLY C0 3 97 . 97 GLY C0 C 0 -13.836864 -14.876668 17.060863 1 1454 1 +ATOM O O . GLY C0 3 97 . 97 GLY C0 O 0 -14.8204 -15.481916 17.502518 1 1455 1 +ATOM N N . LEU C0 3 98 . 98 LEU C0 N 0 -13.772295 -13.539694 16.977425 1 1456 1 +ATOM C CA . LEU C0 3 98 . 98 LEU C0 CA 0 -14.921653 -12.725117 17.37473 1 1457 1 +ATOM C C . LEU C0 3 98 . 98 LEU C0 C 0 -16.120232 -13.03449 16.495232 1 1458 1 +ATOM O O . LEU C0 3 98 . 98 LEU C0 O 0 -17.247805 -13.146814 16.985977 1 1459 1 +ATOM C CB . LEU C0 3 98 . 98 LEU C0 CB 0 -14.566275 -11.236238 17.297188 1 1460 1 +ATOM C CG . LEU C0 3 98 . 98 LEU C0 CG 0 -15.584058 -10.253826 17.87548 1 1461 1 +ATOM C CD1 . LEU C0 3 98 . 98 LEU C0 CD1 0 -15.085571 -8.815343 17.71462 1 1462 1 +ATOM C CD2 . LEU C0 3 98 . 98 LEU C0 CD2 0 -15.868338 -10.550767 19.350286 1 1463 1 +ATOM N N . ALA C0 3 99 . 99 ALA C0 N 0 -15.868441 -13.166663 15.200497 1 1464 1 +ATOM C CA . ALA C0 3 99 . 99 ALA C0 CA 0 -16.92749 -13.51343 14.255012 1 1465 1 +ATOM C C . ALA C0 3 99 . 99 ALA C0 C 0 -17.480202 -14.915792 14.528452 1 1466 1 +ATOM O O . ALA C0 3 99 . 99 ALA C0 O 0 -18.68275 -15.15443 14.405949 1 1467 1 +ATOM C CB . ALA C0 3 99 . 99 ALA C0 CB 0 -16.413363 -13.428175 12.820499 1 1468 1 +ATOM N N . GLU C0 3 100 . 100 GLU C0 N 0 -16.564495 -15.820004 14.922209 1 1469 1 +ATOM C CA . GLU C0 3 100 . 100 GLU C0 CA 0 -16.951801 -17.197304 15.222504 1 1470 1 +ATOM C C . GLU C0 3 100 . 100 GLU C0 C 0 -17.863157 -17.284868 16.451405 1 1471 1 +ATOM O O . GLU C0 3 100 . 100 GLU C0 O 0 -18.737444 -18.160492 16.526674 1 1472 1 +ATOM C CB . GLU C0 3 100 . 100 GLU C0 CB 0 -15.708345 -18.062473 15.450018 1 1473 1 +ATOM C CG . GLU C0 3 100 . 100 GLU C0 CG 0 -14.739567 -18.10721 14.276407 1 1474 1 +ATOM C CD . GLU C0 3 100 . 100 GLU C0 CD 0 -13.419145 -18.76818 14.648542 1 1475 1 +ATOM O OE1 . GLU C0 3 100 . 100 GLU C0 OE1 0 -12.376627 -18.391157 14.103821 1 1476 1 +ATOM O OE2 . GLU C0 3 100 . 100 GLU C0 OE2 0 -13.430806 -19.67003 15.519436 1 1477 1 +ATOM N N . ARG C0 3 101 . 101 ARG C0 N 0 -17.612942 -16.385248 17.42705 1 1478 1 +ATOM C CA . ARG C0 3 101 . 101 ARG C0 CA 0 -18.369583 -16.407818 18.678764 1 1479 1 +ATOM C C . ARG C0 3 101 . 101 ARG C0 C 0 -19.78595 -15.870714 18.527962 1 1480 1 +ATOM O O . ARG C0 3 101 . 101 ARG C0 O 0 -20.60207 -16.026825 19.44141 1 1481 1 +ATOM C CB . ARG C0 3 101 . 101 ARG C0 CB 0 -17.635567 -15.591181 19.744219 1 1482 1 +ATOM C CG . ARG C0 3 101 . 101 ARG C0 CG 0 -16.3499 -16.245426 20.266586 1 1483 1 +ATOM C CD . ARG C0 3 101 . 101 ARG C0 CD 0 -15.857191 -15.572025 21.550879 1 1484 1 +ATOM N NE . ARG C0 3 101 . 101 ARG C0 NE 0 -15.419046 -14.188293 21.323566 1 1485 1 +ATOM C CZ . ARG C0 3 101 . 101 ARG C0 CZ 0 -14.186823 -13.840124 20.92965 1 1486 1 +ATOM N NH1 . ARG C0 3 101 . 101 ARG C0 NH1 0 -13.264768 -14.772537 20.710262 1 1487 1 +ATOM N NH2 . ARG C0 3 101 . 101 ARG C0 NH2 0 -13.872524 -12.544313 20.763285 1 1488 1 +ATOM N N . ARG C0 3 102 . 102 ARG C0 N 0 -20.096031 -15.244125 17.382969 1 1489 1 +ATOM C CA . ARG C0 3 102 . 102 ARG C0 CA 0 -21.368582 -14.552905 17.209333 1 1490 1 +ATOM C C . ARG C0 3 102 . 102 ARG C0 C 0 -22.49025 -15.402797 16.652431 1 1491 1 +ATOM O O . ARG C0 3 102 . 102 ARG C0 O 0 -22.279303 -16.228409 15.769116 1 1492 1 +ATOM C CB . ARG C0 3 102 . 102 ARG C0 CB 0 -21.188427 -13.3144245 16.312983 1 1493 1 +ATOM C CG . ARG C0 3 102 . 102 ARG C0 CG 0 -20.586882 -12.126977 17.033506 1 1494 1 +ATOM C CD . ARG C0 3 102 . 102 ARG C0 CD 0 -20.19362 -11.033587 16.052263 1 1495 1 +ATOM N NE . ARG C0 3 102 . 102 ARG C0 NE 0 -19.430141 -9.983069 16.722767 1 1496 1 +ATOM C CZ . ARG C0 3 102 . 102 ARG C0 CZ 0 -18.495293 -9.259998 16.12875 1 1497 1 +ATOM N NH1 . ARG C0 3 102 . 102 ARG C0 NH1 0 -17.841883 -8.329495 16.80213 1 1498 1 +ATOM N NH2 . ARG C0 3 102 . 102 ARG C0 NH2 0 -18.213797 -9.459063 14.852203 1 1499 1 +ATOM N N . HIS C0 3 103 . 103 HIS C0 N 0 -23.685024 -15.164807 17.174551 1 1500 1 +ATOM C CA . HIS C0 3 103 . 103 HIS C0 CA 0 -24.955458 -15.606922 16.60083 1 1501 1 +ATOM C C . HIS C0 3 103 . 103 HIS C0 C 0 -25.715914 -14.342199 16.337856 1 1502 1 +ATOM O O . HIS C0 3 103 . 103 HIS C0 O 0 -25.471928 -13.329945 17.019762 1 1503 1 +ATOM C CB . HIS C0 3 103 . 103 HIS C0 CB 0 -25.713469 -16.527111 17.581753 1 1504 1 +ATOM C CG . HIS C0 3 103 . 103 HIS C0 CG 0 -24.946358 -17.782215 17.936205 1 1505 1 +ATOM N ND1 . HIS C0 3 103 . 103 HIS C0 ND1 0 -24.4412 -18.645308 16.98167 1 1506 1 +ATOM C CD2 . HIS C0 3 103 . 103 HIS C0 CD2 0 -24.622856 -18.250303 19.157915 1 1507 1 +ATOM C CE1 . HIS C0 3 103 . 103 HIS C0 CE1 0 -23.81291 -19.64925 17.53578 1 1508 1 +ATOM N NE2 . HIS C0 3 103 . 103 HIS C0 NE2 0 -23.906586 -19.426552 18.968767 1 1509 1 +ATOM N N . PRO C0 3 104 . 104 PRO C0 N 0 -26.484013 -14.401619 15.386563 1 1510 1 +ATOM C CA . PRO C0 3 104 . 104 PRO C0 CA 0 -27.3773 -15.234532 14.578056 1 1511 1 +ATOM C C . PRO C0 3 104 . 104 PRO C0 C 0 -26.732529 -16.05198 13.46269 1 1512 1 +ATOM O O . PRO C0 3 104 . 104 PRO C0 O 0 -26.172215 -17.123142 13.712681 1 1513 1 +ATOM C CB . PRO C0 3 104 . 104 PRO C0 CB 0 -28.367655 -14.248081 13.944105 1 1514 1 +ATOM C CG . PRO C0 3 104 . 104 PRO C0 CG 0 -28.247675 -12.993134 14.723469 1 1515 1 +ATOM C CD . PRO C0 3 104 . 104 PRO C0 CD 0 -26.89864 -13.00738 15.359516 1 1516 1 +ATOM N N . PRO C0 3 105 . 105 PRO C0 N 0 -26.943943 -15.646448 12.266331 1 1517 1 +ATOM C CA . PRO C0 3 105 . 105 PRO C0 CA 0 -27.104298 -16.495068 11.081833 1 1518 1 +ATOM C C . PRO C0 3 105 . 105 PRO C0 C 0 -25.808811 -16.765991 10.332615 1 1519 1 +ATOM O O . PRO C0 3 105 . 105 PRO C0 O 0 -24.734066 -16.367985 10.76733 1 1520 1 +ATOM C CB . PRO C0 3 105 . 105 PRO C0 CB 0 -28.030903 -15.665661 10.180318 1 1521 1 +ATOM C CG . PRO C0 3 105 . 105 PRO C0 CG 0 -27.89351 -14.231398 10.6374855 1 1522 1 +ATOM C CD . PRO C0 3 105 . 105 PRO C0 CD 0 -27.078033 -14.2129 11.873203 1 1523 1 +ATOM N N . HIS C0 3 106 . 106 HIS C0 N 0 -25.993317 -17.454723 9.234971 1 1524 1 +ATOM C CA . HIS C0 3 106 . 106 HIS C0 CA 0 -24.916187 -17.677307 8.289273 1 1525 1 +ATOM C C . HIS C0 3 106 . 106 HIS C0 C 0 -24.642654 -16.405792 7.509345 1 1526 1 +ATOM O O . HIS C0 3 106 . 106 HIS C0 O 0 -25.570425 -15.701708 7.1139164 1 1527 1 +ATOM C CB . HIS C0 3 106 . 106 HIS C0 CB 0 -25.25219 -18.81644 7.3331857 1 1528 1 +ATOM C CG . HIS C0 3 106 . 106 HIS C0 CG 0 -25.08768 -20.18998 7.940958 1 1529 1 +ATOM N ND1 . HIS C0 3 106 . 106 HIS C0 ND1 0 -24.928738 -20.380669 9.297293 1 1530 1 +ATOM C CD2 . HIS C0 3 106 . 106 HIS C0 CD2 0 -25.073742 -21.414003 7.3573008 1 1531 1 +ATOM C CE1 . HIS C0 3 106 . 106 HIS C0 CE1 0 -24.818558 -21.67363 9.5536 1 1532 1 +ATOM N NE2 . HIS C0 3 106 . 106 HIS C0 NE2 0 -24.893799 -22.334755 8.371536 1 1533 1 +ATOM O OXT . HIS C0 3 106 . 106 HIS C0 OXT 0 -23.44843 -16.1104 7.310342 1 1534 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_0.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_0.json new file mode 100644 index 0000000000000000000000000000000000000000..4ff3ca19119010325e2bf90869752d0545fcf677 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_0.json @@ -0,0 +1,76 @@ +{ + "plddt": 98.0, + "gpde": 0.26198846101760864, + "ptm": 0.9791935682296753, + "iptm": 0.9781194925308228, + "chain_ptm": [ + 0.2552490830421448, + 0.2517325282096863, + 0.972120463848114 + ], + "chain_iptm": [ + 0.9484156370162964, + 0.9482768774032593, + 0.9737246632575989 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.9229679107666016, + 0.973863422870636 + ], + [ + 0.9229679107666016, + 0.0, + 0.9735859036445618 + ], + [ + 0.973863422870636, + 0.9735859036445618, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.9483462572097778, + 0.96107017993927 + ], + [ + 0.9483462572097778, + 0.0, + 0.9610008001327515 + ], + [ + 0.96107017993927, + 0.9610008001327515, + 0.0 + ] + ], + "chain_plddt": [ + 0.98828125, + 0.98828125, + 0.97265625 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.98828125, + 0.9765625 + ], + [ + 0.98828125, + 0.0, + 0.9765625 + ], + [ + 0.9765625, + 0.9765625, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9783343076705933, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_1.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_1.json new file mode 100644 index 0000000000000000000000000000000000000000..33767cfa8cd5adf7189dd2b43f4991f50b62bca9 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_1.json @@ -0,0 +1,76 @@ +{ + "plddt": 98.0, + "gpde": 0.2619626522064209, + "ptm": 0.9791673421859741, + "iptm": 0.9780787825584412, + "chain_ptm": [ + 0.2556301951408386, + 0.2526992857456207, + 0.9722036123275757 + ], + "chain_iptm": [ + 0.9487311840057373, + 0.9485494494438171, + 0.9736168384552002 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.9236637353897095, + 0.9737985730171204 + ], + [ + 0.9236637353897095, + 0.0, + 0.9734351634979248 + ], + [ + 0.9737985730171204, + 0.9734351634979248, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.9486403465270996, + 0.9611740112304688 + ], + [ + 0.9486403465270996, + 0.0, + 0.961083173751831 + ], + [ + 0.9611740112304688, + 0.961083173751831, + 0.0 + ] + ], + "chain_plddt": [ + 0.98828125, + 0.98828125, + 0.9765625 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.98828125, + 0.98046875 + ], + [ + 0.98828125, + 0.0, + 0.98046875 + ], + [ + 0.98046875, + 0.98046875, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9782965183258057, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_2.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_2.json new file mode 100644 index 0000000000000000000000000000000000000000..9a1c30d8516c81aa1ae15fe3a975db6be4885e70 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_2.json @@ -0,0 +1,76 @@ +{ + "plddt": 97.5, + "gpde": 0.26178881525993347, + "ptm": 0.9790948033332825, + "iptm": 0.9779974222183228, + "chain_ptm": [ + 0.25590428709983826, + 0.252924382686615, + 0.9722191691398621 + ], + "chain_iptm": [ + 0.948744535446167, + 0.948643684387207, + 0.9735898375511169 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.9237984418869019, + 0.9736906886100769 + ], + [ + 0.9237984418869019, + 0.0, + 0.973488986492157 + ], + [ + 0.9736906886100769, + 0.973488986492157, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.948694109916687, + 0.9611672163009644 + ], + [ + 0.948694109916687, + 0.0, + 0.9611167907714844 + ], + [ + 0.9611672163009644, + 0.9611167907714844, + 0.0 + ] + ], + "chain_plddt": [ + 0.984375, + 0.984375, + 0.9609375 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.984375, + 0.96875 + ], + [ + 0.984375, + 0.0, + 0.96875 + ], + [ + 0.96875, + 0.96875, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9782168865203857, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_3.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_3.json new file mode 100644 index 0000000000000000000000000000000000000000..029f25fab21656b8193a87d2083152ba4e5b9357 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_3.json @@ -0,0 +1,76 @@ +{ + "plddt": 94.0, + "gpde": 0.2618413269519806, + "ptm": 0.9790666103363037, + "iptm": 0.9779733419418335, + "chain_ptm": [ + 0.2554566264152527, + 0.2519749104976654, + 0.9721006155014038 + ], + "chain_iptm": [ + 0.9484503269195557, + 0.9483246207237244, + 0.9735470414161682 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.9232279062271118, + 0.9736727476119995 + ], + [ + 0.9232279062271118, + 0.0, + 0.9734213352203369 + ], + [ + 0.9736727476119995, + 0.9734213352203369, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.9483875036239624, + 0.9609986543655396 + ], + [ + 0.9483875036239624, + 0.0, + 0.9609358310699463 + ], + [ + 0.9609986543655396, + 0.9609358310699463, + 0.0 + ] + ], + "chain_plddt": [ + 0.95703125, + 0.95703125, + 0.92578125 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.95703125, + 0.93359375 + ], + [ + 0.95703125, + 0.0, + 0.93359375 + ], + [ + 0.93359375, + 0.93359375, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9781919717788696, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_4.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_4.json new file mode 100644 index 0000000000000000000000000000000000000000..6896a7e8da69b9bc38a1ccd0d0e24eff09dbbc59 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8e3r-assembly1/seed_42/predictions/8e3r-assembly1_seed_42_summary_confidence_sample_4.json @@ -0,0 +1,76 @@ +{ + "plddt": 95.5, + "gpde": 0.2621481418609619, + "ptm": 0.9790060520172119, + "iptm": 0.9779083728790283, + "chain_ptm": [ + 0.2551204562187195, + 0.2523012161254883, + 0.9721497297286987 + ], + "chain_iptm": [ + 0.9484022855758667, + 0.9483020305633545, + 0.9734928607940674 + ], + "chain_pair_iptm": [ + [ + 0.0, + 0.9232115149497986, + 0.9735930562019348 + ], + [ + 0.9232115149497986, + 0.0, + 0.9733926057815552 + ], + [ + 0.9735930562019348, + 0.9733926057815552, + 0.0 + ] + ], + "chain_pair_iptm_global": [ + [ + 0.0, + 0.9483521580696106, + 0.960947573184967 + ], + [ + 0.9483521580696106, + 0.0, + 0.9608974456787109 + ], + [ + 0.960947573184967, + 0.9608974456787109, + 0.0 + ] + ], + "chain_plddt": [ + 0.97265625, + 0.97265625, + 0.9453125 + ], + "chain_pair_plddt": [ + [ + 0.0, + 0.97265625, + 0.953125 + ], + [ + 0.97265625, + 0.0, + 0.953125 + ], + [ + 0.953125, + 0.953125, + 0.0 + ] + ], + "has_clash": false, + "disorder": 0.0, + "ranking_score": 0.9781278967857361, + "num_recycles": 10 +} \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_0.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_0.cif new file mode 100644 index 0000000000000000000000000000000000000000..38f5025c0bac961665c980c4cb30394fbd88d888 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_0.cif @@ -0,0 +1,6681 @@ +data_8tuz-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 83.2 16.37644 2.651912 18.8708 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 89.84 15.646362 2.140686 17.723902 1 2 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 93.75 14.263976 2.7659655 17.648079 1 3 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 91.02 13.627416 3.0116744 18.682278 1 4 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 81.64 15.532489 0.61885405 17.816216 1 5 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 71.48 14.9127865 -0.021518154 16.585186 1 6 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 65.23 14.802638 -1.5249708 16.717306 1 7 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 59.38 14.207388 -1.9846954 17.707493 1 8 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 57.81 15.320407 -2.246002 15.8372 1 9 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 94.92 13.805416 3.0221384 16.44851 1 10 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 96.09 12.49277 3.620966 16.241512 1 11 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 96.88 11.401512 2.6708226 16.72377 1 12 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 96.09 11.418684 1.4808035 16.406498 1 13 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 94.53 12.266857 3.9640677 14.753952 1 14 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 92.19 10.839329 4.456068 14.528234 1 15 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 91.41 13.274825 4.997036 14.284857 1 16 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 98.05 10.46089 3.1904864 17.498219 1 17 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 98.05 9.337045 2.4032066 17.99973 1 18 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 98.44 8.0522175 3.223928 17.958866 1 19 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 98.05 8.070829 4.4374537 18.215328 1 20 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 96.88 9.578476 1.9498489 19.443552 1 21 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 89.84 10.65147 0.9092759 19.621025 1 22 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 88.28 10.747368 0.45190567 21.06554 1 23 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 80.08 11.342649 1.1250744 21.899662 1 24 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 77.73 10.125883 -0.6675742 21.37811 1 25 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 98.83 6.973057 2.5521102 17.639145 1 26 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 98.44 5.6402683 3.1443977 17.692013 1 27 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 98.83 4.792161 2.1837573 18.51828 1 28 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 98.44 4.5634127 1.0413513 18.107357 1 29 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 98.44 5.0456123 3.3165355 16.289719 1 30 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 97.66 5.7094126 4.376712 15.403782 1 31 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 96.88 5.1930795 4.263978 13.972806 1 32 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 96.48 5.458745 5.7717094 15.951847 1 33 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 98.83 4.368006 2.6316984 19.70163 1 34 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 98.83 3.6042614 1.7844174 20.614788 1 35 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 98.44 2.1773458 2.319499 20.731457 1 36 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 98.83 1.968633 3.468008 21.132982 1 37 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 98.05 4.2636967 1.7236276 22.012001 1 38 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 97.27 3.4431915 0.8520904 22.947163 1 39 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 97.27 5.694227 1.1908338 21.891075 1 40 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 98.83 1.2195574 1.4791039 20.379196 1 41 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 98.44 -0.1850909 1.8841512 20.38995 1 42 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 98.44 -0.8971157 1.482192 21.6775 1 43 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 98.05 -0.42324752 0.61881065 22.422237 1 44 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 98.44 -0.9127177 1.2880025 19.18289 1 45 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 98.05 -0.35964072 1.7798389 17.857616 1 46 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 98.44 -1.0832886 1.2405014 16.647484 1 47 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 90.23 -0.4623704 0.7350177 15.711695 1 48 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 87.11 -2.4064147 1.3356159 16.6484 1 49 +ATOM N N . SER A0 1 7 . 7 SER A0 N 98.05 -2.0275457 2.1306093 21.922955 1 50 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 97.66 -2.837244 1.840055 23.101158 1 51 +ATOM C C . SER A0 1 7 . 7 SER A0 C 97.66 -3.5099425 0.47542396 22.953518 1 52 +ATOM O O . SER A0 1 7 . 7 SER A0 O 97.27 -3.5138903 -0.122864336 21.874165 1 53 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 97.66 -3.8883 2.935335 23.310791 1 54 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 96.88 -4.6337585 3.1613739 22.133589 1 55 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 95.31 -4.0824933 -0.013023993 24.048239 1 56 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 95.31 -4.6692867 -1.3391993 24.074451 1 57 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 96.48 -6.0138407 -1.46315 23.384087 1 58 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 96.09 -6.601089 -0.4775777 22.923761 1 59 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 94.14 -6.4869547 -2.7013075 23.333693 1 60 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 94.14 -7.7642097 -3.0336115 22.71183 1 61 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 95.31 -8.908922 -2.2432919 23.330881 1 62 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 94.53 -8.947525 -2.027852 24.546375 1 63 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 91.41 -8.021032 -4.5395527 22.852203 1 64 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 85.16 -9.299869 -5.0178475 22.18898 1 65 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 82.03 -9.508808 -6.5248346 22.34288 1 66 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 76.95 -10.278624 -7.1041183 21.549828 1 67 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 76.17 -8.894424 -7.1193933 23.258682 1 68 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 95.7 -9.85531 -1.8084109 22.474693 1 69 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 95.7 -10.994196 -1.0203658 22.931828 1 70 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 96.09 -12.293771 -1.7048476 22.545546 1 71 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 95.7 -12.437629 -2.1788533 21.414886 1 72 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 95.31 -10.967026 0.38833606 22.31728 1 73 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 91.41 -9.735788 1.2161167 22.680649 1 74 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 89.06 -9.801899 1.852756 24.047733 1 75 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 84.38 -8.799561 2.4696069 24.458296 1 76 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 85.16 -10.850922 1.7436695 24.723717 1 77 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 95.31 -13.236119 -1.760788 23.47699 1 78 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 95.31 -14.568286 -2.3020597 23.236507 1 79 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 95.7 -15.559584 -1.2071823 23.61113 1 80 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 94.92 -15.658035 -0.82306015 24.779568 1 81 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 94.14 -14.832537 -3.5768256 24.063248 1 82 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 92.19 -16.224321 -4.1232634 23.757421 1 83 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 91.8 -13.765533 -4.632468 23.761768 1 84 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 97.27 -16.270992 -0.6996481 22.61248 1 85 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 96.88 -17.183922 0.43017215 22.819572 1 86 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 97.27 -18.554607 0.16365933 22.219128 1 87 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 96.88 -18.735865 -0.743272 21.387386 1 88 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 96.48 -16.608673 1.706027 22.191933 1 89 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 94.53 -15.317846 2.1920338 22.830904 1 90 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 92.58 -15.607817 2.8450117 24.174206 1 91 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 90.23 -14.333996 3.4337492 24.779894 1 92 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 87.5 -14.624362 4.134799 26.030453 1 93 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 97.27 -19.538345 0.97050893 22.626541 1 94 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 96.88 -20.887836 0.8867691 22.098263 1 95 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 97.27 -21.074919 1.9545839 21.028223 1 96 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 97.27 -20.403206 2.9983764 21.05815 1 97 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 96.48 -21.924385 1.0920777 23.209597 1 98 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 90.62 -21.972134 -0.033093046 24.221016 1 99 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 85.55 -23.035755 0.22623165 25.26987 1 100 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 76.95 -23.139488 -0.92592365 26.257425 1 101 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 67.97 -23.69093 -2.1441007 25.625341 1 102 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 97.66 -21.988499 1.7287589 20.061085 1 103 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 97.66 -22.238514 2.7481022 19.04522 1 104 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 98.05 -22.676893 4.059042 19.698765 1 105 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 97.66 -23.396585 4.051466 20.70139 1 106 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 97.27 -23.368834 2.1458845 18.205853 1 107 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 95.7 -23.22016 0.6665687 18.38459 1 108 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 97.66 -22.784098 0.5152001 19.81926 1 109 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 98.05 -22.2099 5.1684237 19.137426 1 110 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 98.05 -22.543642 6.476589 19.676992 1 111 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 98.05 -21.55574 7.0105314 20.685282 1 112 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 97.66 -21.568935 8.203159 20.989536 1 113 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 98.44 -20.693485 6.130439 21.206747 1 114 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 98.05 -19.693386 6.5624933 22.171188 1 115 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 98.05 -18.492603 7.1719685 21.457 1 116 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 98.05 -18.266994 6.923931 20.265942 1 117 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 98.05 -19.23376 5.3905253 23.04326 1 118 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 95.7 -20.329893 4.8560424 23.94996 1 119 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 95.7 -19.830013 3.7882495 24.90261 1 120 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 91.41 -20.469048 3.5848794 25.949183 1 121 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 91.8 -18.79435 3.1553059 24.612755 1 122 +ATOM N N . SER A0 1 17 . 17 SER A0 N 98.44 -17.748856 7.9668527 22.175545 1 123 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 98.44 -16.537838 8.559299 21.631002 1 124 +ATOM C C . SER A0 1 17 . 17 SER A0 C 98.44 -15.33976 7.6972423 22.00951 1 125 +ATOM O O . SER A0 1 17 . 17 SER A0 O 98.05 -15.39051 6.924221 22.965813 1 126 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 97.66 -16.344284 9.983493 22.15839 1 127 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 91.02 -16.124601 9.981859 23.557552 1 128 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 98.44 -14.282715 7.8138895 21.215519 1 129 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 98.44 -13.079386 7.0313673 21.475632 1 130 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 98.44 -11.86133 7.7521834 20.916515 1 131 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 98.44 -11.936581 8.35717 19.840485 1 132 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 98.44 -13.191414 5.636861 20.83937 1 133 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 97.27 -11.940638 4.7547846 20.908348 1 134 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 96.09 -12.110747 3.4969158 20.073467 1 135 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 96.48 -11.605281 4.407112 22.3561 1 136 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 98.83 -10.768557 7.691373 21.645115 1 137 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 98.83 -9.500684 8.231433 21.182684 1 138 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 98.44 -8.416599 7.2050385 21.484669 1 139 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 98.44 -8.185109 6.8667536 22.651663 1 140 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 98.44 -9.179679 9.567165 21.865208 1 141 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 96.09 -7.9044743 10.230112 21.336485 1 142 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 93.75 -7.815059 11.693338 21.731762 1 143 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 88.28 -7.5533257 11.896919 23.20656 1 144 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 81.64 -7.401304 13.339439 23.523045 1 145 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 98.44 -7.77863 6.6964808 20.432766 1 146 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 98.44 -6.6999254 5.7383604 20.612123 1 147 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 98.83 -5.3855953 6.4530134 20.329597 1 148 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 98.44 -5.3513308 7.4762216 19.637348 1 149 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 98.44 -6.8650274 4.493687 19.70399 1 150 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 96.88 -6.8750663 4.8726163 18.231396 1 151 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 96.88 -8.166126 3.7580976 20.071 1 152 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 96.48 -6.925205 3.6798224 17.28051 1 153 +ATOM N N . SER A0 1 21 . 21 SER A0 N 98.83 -4.2958755 5.9267564 20.902346 1 154 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 98.44 -3.0148616 6.616845 20.840511 1 155 +ATOM C C . SER A0 1 21 . 21 SER A0 C 98.83 -1.883337 5.807157 20.223347 1 156 +ATOM O O . SER A0 1 21 . 21 SER A0 O 98.44 -1.9647368 4.586831 20.10501 1 157 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 98.44 -2.6016467 7.0772643 22.242798 1 158 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 97.27 -2.3389168 5.9654665 23.082512 1 159 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 98.83 -0.8516356 6.524234 19.840675 1 160 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 98.83 0.35443145 5.955019 19.246231 1 161 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 98.83 1.5288353 6.805537 19.719488 1 162 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 98.83 1.6119899 7.9925995 19.388565 1 163 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 98.44 0.25220925 5.9782677 17.722649 1 164 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 98.05 1.7477369 5.5380936 16.840256 1 165 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 98.44 2.4110727 6.2238364 20.52361 1 166 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 98.83 3.5599632 6.9458113 21.063412 1 167 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 98.44 4.8324404 6.5590725 20.308498 1 168 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 98.44 5.145411 5.375186 20.186214 1 169 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 98.44 3.7326486 6.663682 22.558205 1 170 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 95.31 4.8852334 7.4473 23.17383 1 171 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 91.8 4.976075 7.2180367 24.678257 1 172 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 85.16 6.1220202 8.028324 25.276745 1 173 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 77.34 6.210449 7.8396664 26.734535 1 174 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 98.44 5.5430384 7.568111 19.821606 1 175 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 98.44 6.7799473 7.331086 19.093128 1 176 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 98.44 8.00031 7.5564737 19.959393 1 177 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 98.05 7.9918594 8.391172 20.860945 1 178 +ATOM N N . SER A0 1 25 . 25 SER A0 N 98.05 9.058675 6.807756 19.69107 1 179 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 98.05 10.312395 6.9633074 20.410168 1 180 +ATOM C C . SER A0 1 25 . 25 SER A0 C 98.05 11.466623 6.501977 19.520779 1 181 +ATOM O O . SER A0 1 25 . 25 SER A0 O 98.05 11.253212 5.7969923 18.531178 1 182 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 97.27 10.3041315 6.1662207 21.723274 1 183 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 94.92 10.168402 4.7808895 21.482693 1 184 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 96.88 12.695841 6.923934 19.865206 1 185 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 96.48 13.86971 6.498802 19.134888 1 186 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 96.88 14.211381 7.355441 17.921547 1 187 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 95.7 15.114784 7.00601 17.16183 1 188 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 96.09 13.507461 8.482454 17.736187 1 189 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 96.48 13.770455 9.404852 16.634651 1 190 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 96.48 13.162605 10.751886 16.985523 1 191 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 96.09 12.429911 10.871103 17.97463 1 192 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 96.48 13.1788025 8.862136 15.3210945 1 193 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 96.88 11.67189 8.876707 15.264938 1 194 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 96.88 10.9252205 7.895355 15.911155 1 195 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 96.88 11.000532 9.87734 14.583303 1 196 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 96.48 9.536791 7.9109693 15.877077 1 197 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 96.48 9.612518 9.9035 14.539047 1 198 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 96.48 8.888553 8.918802 15.191477 1 199 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 96.09 7.5182505 8.940949 15.150461 1 200 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 95.31 13.460268 11.790245 16.197657 1 201 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 95.31 12.904164 13.11117 16.442827 1 202 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 96.09 11.440531 13.118242 15.987793 1 203 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 95.7 11.135122 13.319609 14.811689 1 204 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 93.36 13.710821 14.185556 15.715041 1 205 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 85.55 13.320269 15.596567 16.117516 1 206 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 80.86 14.233405 16.632723 15.473181 1 207 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 72.27 13.840727 18.042576 15.894192 1 208 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 65.23 14.714927 19.045197 15.287956 1 209 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 96.88 10.541323 12.887018 16.941547 1 210 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 97.27 9.11344 12.719896 16.706417 1 211 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 97.27 8.473661 13.825405 15.861549 1 212 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 96.88 7.6429706 13.548109 14.98905 1 213 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 97.66 8.396448 12.603527 18.05657 1 214 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 98.05 6.9109483 12.387906 17.960949 1 215 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 97.27 6.0317497 13.428247 18.219679 1 216 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 97.66 6.3933516 11.146829 17.640358 1 217 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 97.27 4.664511 13.236227 18.151321 1 218 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 97.27 5.0264177 10.9493685 17.570736 1 219 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 97.66 4.162343 11.991245 17.82841 1 220 +ATOM N N . SER A0 1 30 . 30 SER A0 N 96.88 8.858343 15.086031 16.113039 1 221 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 96.48 8.257893 16.221817 15.432576 1 222 +ATOM C C . SER A0 1 30 . 30 SER A0 C 96.88 8.727584 16.41448 13.988119 1 223 +ATOM O O . SER A0 1 30 . 30 SER A0 O 96.09 8.211333 17.295506 13.290932 1 224 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 95.31 8.509979 17.513496 16.224525 1 225 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 90.62 9.892012 17.78323 16.319977 1 226 +ATOM N N . SER A0 1 31 . 31 SER A0 N 94.53 9.671671 15.595153 13.532621 1 227 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 94.14 10.252504 15.758173 12.199766 1 228 +ATOM C C . SER A0 1 31 . 31 SER A0 C 95.31 9.728603 14.776413 11.153576 1 229 +ATOM O O . SER A0 1 31 . 31 SER A0 O 94.53 10.212931 14.773165 10.020067 1 230 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 92.58 11.773981 15.636431 12.282557 1 231 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 87.11 12.318786 16.666935 13.089749 1 232 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 96.48 8.757632 13.945512 11.52022 1 233 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 96.48 8.205904 12.9683895 10.585932 1 234 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 96.88 6.685881 12.928593 10.667532 1 235 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 96.88 6.1139617 13.094635 11.745483 1 236 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 96.09 8.748915 11.562627 10.876783 1 237 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 95.31 10.235502 11.415451 10.640522 1 238 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 94.14 11.144979 11.682567 11.662088 1 239 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 93.75 10.729121 11.029535 9.403434 1 240 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 92.97 12.510048 11.571832 11.447786 1 241 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 92.58 12.088086 10.915872 9.180511 1 242 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 92.58 12.973755 11.18194 10.208346 1 243 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 91.02 14.317728 11.068499 9.994825 1 244 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 97.66 6.059796 12.666037 9.53528 1 245 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 97.66 4.617433 12.460725 9.504086 1 246 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 98.05 4.294681 11.1297245 10.180025 1 247 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 97.66 5.0978208 10.187508 10.146597 1 248 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 97.27 4.1185913 12.372194 8.058155 1 249 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 96.48 4.2449474 13.607854 7.2270737 1 250 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 95.31 5.300214 13.958361 6.4445477 1 251 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 95.7 3.2552547 14.627835 7.0598783 1 252 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 94.14 5.0316725 15.137692 5.797436 1 253 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 94.92 3.7866735 15.574104 6.16648 1 254 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 94.14 1.97491 14.834487 7.598831 1 255 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 93.36 3.0693774 16.706257 5.7701097 1 256 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 93.75 1.2624528 15.967043 7.209717 1 257 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 93.36 1.8258646 16.885256 6.3114996 1 258 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 98.05 3.1083841 11.045381 10.79899 1 259 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 98.44 2.6065288 9.78694 11.348698 1 260 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 98.44 1.2314155 9.568212 10.715384 1 261 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 98.44 0.38832146 10.465006 10.729619 1 262 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 98.44 2.4612436 9.827904 12.885185 1 263 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 96.88 3.8257456 10.058521 13.5452795 1 264 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 96.88 1.8297362 8.514698 13.379484 1 265 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 94.14 4.826796 8.923275 13.375337 1 266 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 98.83 1.0456132 8.385254 10.138767 1 267 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 98.44 -0.21982214 8.079584 9.490041 1 268 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 98.83 -0.9935656 7.0059853 10.222971 1 269 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 98.83 -0.44866484 6.281354 11.059448 1 270 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 98.44 -2.2894785 6.930923 9.902817 1 271 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 98.83 -3.1691465 5.9116154 10.452536 1 272 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 98.83 -3.7341604 5.0906534 9.307852 1 273 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 98.44 -4.1360707 5.6332417 8.26621 1 274 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 98.83 -4.324149 6.5404596 11.252861 1 275 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 98.83 -3.9036868 7.0920725 12.581725 1 276 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 98.44 -3.5881262 8.38505 12.873843 1 277 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 98.83 -3.7602477 6.3624697 13.8024435 1 278 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 98.44 -3.2551656 8.508869 14.199707 1 279 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 98.44 -3.3538804 7.289997 14.791594 1 280 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 98.83 -3.9396834 5.027133 14.157528 1 281 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 98.83 -3.1194344 6.9067287 16.1185 1 282 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 98.83 -3.705061 4.645209 15.47184 1 283 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 98.83 -3.303228 5.5875025 16.4347 1 284 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 98.83 -3.7572818 3.7866464 9.527676 1 285 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 98.44 -4.2435637 2.8473692 8.523714 1 286 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 98.44 -5.2809796 1.931904 9.166002 1 287 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 98.83 -5.034529 1.3791356 10.2491665 1 288 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 98.44 -3.0844562 2.0061166 7.9426527 1 289 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 98.05 -3.6145372 0.94231164 6.990069 1 290 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 98.05 -2.0739384 2.9085503 7.2403007 1 291 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 98.44 -6.432184 1.7652358 8.515296 1 292 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 98.44 -7.47515 0.879418 9.007015 1 293 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 98.44 -7.4237967 -0.4461094 8.258779 1 294 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 98.83 -7.1826906 -0.47954357 7.0539694 1 295 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 98.44 -8.869406 1.514144 8.813462 1 296 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 97.27 -10.012929 0.6184582 9.302877 1 297 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 96.09 -11.361481 1.2887015 9.114668 1 298 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 94.92 -11.813339 1.2170117 7.7155876 1 299 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 94.92 -12.998431 1.6814444 7.3047104 1 300 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 92.19 -13.84869 2.2363753 8.177975 1 301 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 92.58 -13.324551 1.5820336 6.0198464 1 302 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 98.05 -7.667912 -1.5247734 8.986169 1 303 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 98.44 -7.7854905 -2.8448958 8.373861 1 304 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 98.05 -8.998068 -3.541044 8.9764595 1 305 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 98.05 -8.956559 -4.0108166 10.109442 1 306 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 98.05 -6.519393 -3.683082 8.5825405 1 307 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 97.66 -6.574354 -5.0054617 7.8193903 1 308 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 98.05 -5.251832 -5.730319 7.806648 1 309 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 96.09 -4.559888 -5.8172827 8.8124895 1 310 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 95.7 -4.8799634 -6.250986 6.630279 1 311 +ATOM N N . MET A0 1 40 . 40 MET A0 N 96.88 -10.070278 -3.5843835 8.195673 1 312 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 96.88 -11.290022 -4.233748 8.663326 1 313 +ATOM C C . MET A0 1 40 . 40 MET A0 C 96.88 -11.090181 -5.7412024 8.640363 1 314 +ATOM O O . MET A0 1 40 . 40 MET A0 O 96.48 -10.236003 -6.251273 7.912571 1 315 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 96.48 -12.473072 -3.8236542 7.7843347 1 316 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 94.53 -12.759546 -2.3259652 7.867823 1 317 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 92.58 -14.123081 -1.7879131 6.803607 1 318 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 85.55 -15.52944 -2.3983822 7.7494707 1 319 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 92.97 -11.853185 -6.474142 9.462268 1 320 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 91.8 -11.64714 -7.9270115 9.559914 1 321 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 91.8 -11.662737 -8.625822 8.2043915 1 322 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 89.45 -12.618898 -8.505247 7.4376497 1 323 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 89.84 -12.811075 -8.389497 10.442503 1 324 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 88.28 -13.099745 -7.2052774 11.316722 1 325 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 91.41 -12.912487 -6.0058317 10.398791 1 326 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 90.23 -10.568802 -9.34072 7.911066 1 327 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 89.45 -10.4472065 -10.085255 6.670919 1 328 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 90.62 -10.2334 -9.250381 5.425135 1 329 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 88.28 -10.2997875 -9.775561 4.3131423 1 330 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 95.7 -9.988971 -7.948532 5.6060524 1 331 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 95.7 -9.822703 -7.048852 4.4635115 1 332 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 96.09 -8.401808 -6.5069113 4.3626337 1 333 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 95.7 -7.5460925 -6.7820044 5.2122746 1 334 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 94.14 -10.819054 -5.886886 4.563163 1 335 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 89.45 -12.272661 -6.3089023 4.710348 1 336 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 83.98 -12.766676 -7.067877 3.470372 1 337 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 78.12 -14.238279 -7.445696 3.6083646 1 338 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 71.09 -14.726774 -8.184485 2.4391189 1 339 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 96.48 -8.160964 -5.7196712 3.3229196 1 340 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 96.88 -6.848955 -5.1180916 3.1136928 1 341 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 97.66 -6.666773 -3.8176823 3.8652084 1 342 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 97.66 -7.4395385 -3.4878473 4.775279 1 343 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 98.44 -5.6362295 -3.0770411 3.4843612 1 344 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 98.44 -5.269845 -1.8478872 4.1682677 1 345 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 98.44 -5.9401817 -0.62739754 3.5545516 1 346 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 98.05 -6.023975 -0.5015699 2.3311493 1 347 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 98.05 -3.7441378 -1.6671824 4.131538 1 348 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 98.05 -2.9244318 -2.8343582 4.6945076 1 349 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 97.66 -1.4495047 -2.636036 4.350356 1 350 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 97.27 -3.1228876 -2.9485035 6.2002077 1 351 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 98.44 -6.401332 0.28974274 4.4151244 1 352 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 98.05 -7.0299826 1.529257 3.9803722 1 353 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 98.44 -6.3581295 2.685497 4.7121105 1 354 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 98.44 -6.3989525 2.7550755 5.9420347 1 355 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 97.66 -8.525215 1.5383487 4.3207574 1 356 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 93.75 -9.343479 0.42057353 3.709615 1 357 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 92.97 -10.772522 0.4535985 4.213031 1 358 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 90.23 -11.089558 -0.25285327 5.1956835 1 359 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 90.23 -11.579451 1.215942 3.6285014 1 360 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 98.44 -5.7669687 3.5830133 3.9478002 1 361 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 98.44 -5.134514 4.758769 4.540149 1 362 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 98.44 -6.220793 5.726542 5.000661 1 363 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 98.44 -7.1465282 6.038806 4.2604938 1 364 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 98.44 -4.220787 5.437233 3.5092685 1 365 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 98.44 -3.6169617 6.7043004 4.010824 1 366 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 97.66 -2.6128402 6.8172283 4.928826 1 367 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 98.05 -3.9560807 8.032087 3.6387143 1 368 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 97.66 -2.320858 8.134251 5.1310716 1 369 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 97.66 -3.1392112 8.909401 4.3532 1 370 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 98.05 -4.895052 8.5735855 2.7472005 1 371 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 97.27 -3.2158422 10.293339 4.211765 1 372 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 97.27 -4.976512 9.94935 2.614327 1 373 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 96.88 -4.1366663 10.786081 3.3410454 1 374 +ATOM N N . MET A0 1 48 . 48 MET A0 N 98.44 -6.1059523 6.176652 6.240098 1 375 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 98.44 -7.1065235 7.068306 6.8310704 1 376 +ATOM C C . MET A0 1 48 . 48 MET A0 C 98.44 -6.682003 8.526808 6.7961206 1 377 +ATOM O O . MET A0 1 48 . 48 MET A0 O 98.44 -7.4620256 9.396112 6.398425 1 378 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 98.44 -7.4016623 6.6606956 8.281002 1 379 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 98.44 -7.9018307 5.2396994 8.430198 1 380 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 98.44 -8.185974 4.8145723 10.164125 1 381 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 96.09 -9.666235 5.784566 10.483845 1 382 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 98.44 -5.5029163 8.797876 7.22507 1 383 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 98.44 -5.011264 10.161397 7.281022 1 384 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 98.44 -3.6063545 10.214617 7.829096 1 385 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 98.44 -3.002829 9.18253 8.147163 1 386 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 98.44 -3.1014864 11.420176 7.933338 1 387 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 98.05 -1.7142609 11.610693 8.335142 1 388 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 98.05 -1.5637324 12.95162 9.048655 1 389 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 98.05 -2.3450105 13.885694 8.812993 1 390 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 97.66 -0.79860747 11.527433 7.0839777 1 391 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 95.31 0.6527752 11.25951 7.4574637 1 392 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 95.31 -0.9589909 12.770299 6.210127 1 393 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 92.97 1.4936798 10.815939 6.2554073 1 394 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 98.05 -0.6017308 13.045446 9.958422 1 395 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 98.44 -0.35376608 14.2919855 10.6810255 1 396 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 98.44 1.1469469 14.532776 10.782658 1 397 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 98.44 1.9335864 13.593056 10.898078 1 398 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 98.44 -0.99246764 14.264666 12.099774 1 399 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 98.05 -0.88620377 15.64169 12.7690735 1 400 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 98.44 -0.3334573 13.191388 12.983961 1 401 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 98.05 -1.6986248 15.787128 14.052286 1 402 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 97.66 1.5399399 15.815852 10.701067 1 403 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 97.66 2.931194 16.195393 10.9263 1 404 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 97.66 2.9903708 16.781967 12.336342 1 405 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 97.66 2.498095 17.897705 12.561171 1 406 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 96.88 3.3948264 17.227303 9.896961 1 407 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 96.48 4.8904123 17.43747 9.906515 1 408 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 96.09 5.4388533 18.558361 10.502409 1 409 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 95.7 5.734375 16.508698 9.335225 1 410 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 94.53 6.813921 18.745262 10.524537 1 411 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 94.53 7.1079273 16.687168 9.35354 1 412 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 94.92 7.6446123 17.807503 9.950056 1 413 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 98.05 3.5370402 16.039795 13.31544 1 414 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 98.05 3.486383 16.49289 14.710111 1 415 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 97.66 4.116399 17.851704 14.978834 1 416 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 97.27 3.707713 18.539772 15.918782 1 417 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 97.66 4.2298074 15.372072 15.462716 1 418 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 97.27 4.0626388 14.172161 14.597633 1 419 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 98.05 4.155613 14.718584 13.192002 1 420 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 97.27 5.1021576 18.264254 14.181221 1 421 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 97.27 5.781004 19.529985 14.392863 1 422 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 97.27 4.865749 20.742298 14.419548 1 423 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 96.09 5.0439014 21.637661 15.248976 1 424 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 96.48 3.8706179 20.790773 13.521299 1 425 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 96.09 2.9276395 21.89917 13.479208 1 426 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 96.48 1.4731472 21.456924 13.370373 1 427 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 96.09 0.5968214 22.278257 13.121588 1 428 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 94.53 3.2780914 22.865644 12.330735 1 429 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 94.14 3.166028 22.218655 10.955296 1 430 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 92.97 2.7813773 21.029232 10.868755 1 431 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 90.23 3.4612842 22.906109 9.953953 1 432 +ATOM N N . SER A0 1 56 . 56 SER A0 N 97.66 1.2280006 20.178753 13.576263 1 433 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 97.66 -0.11402262 19.598835 13.562326 1 434 +ATOM C C . SER A0 1 56 . 56 SER A0 C 97.27 -0.83456236 19.715633 12.219463 1 435 +ATOM O O . SER A0 1 56 . 56 SER A0 O 96.48 -2.06566 19.697868 12.160645 1 436 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 96.48 -0.98206365 20.189102 14.67798 1 437 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 91.41 -0.4567166 19.855915 15.9481945 1 438 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 96.48 -0.07505893 19.805084 11.136902 1 439 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 96.88 -0.6476307 19.7953 9.792179 1 440 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 97.27 -1.2580706 18.407246 9.581139 1 441 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 97.27 -0.6263472 17.389324 9.887744 1 442 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 95.7 0.46560788 20.047256 8.759563 1 443 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 94.14 -0.047425255 20.25364 7.3478804 1 444 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 92.19 -1.2809768 20.221355 7.12665 1 445 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 90.62 0.7890023 20.454884 6.443884 1 446 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 97.27 -2.5045385 18.367996 9.082732 1 447 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 97.27 -3.221191 17.09993 8.90151 1 448 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 97.27 -3.7447257 16.949348 7.4851837 1 449 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 96.48 -4.1109457 17.92528 6.837759 1 450 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 97.27 -4.4193873 17.011227 9.8585415 1 451 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 95.7 -4.131945 17.293247 11.314928 1 452 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 94.14 -5.441923 17.304306 12.105021 1 453 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 91.02 -5.256544 17.805119 13.519174 1 454 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 87.89 -4.969011 19.253738 13.564614 1 455 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 97.27 -3.811708 15.724234 7.045227 1 456 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 97.27 -4.4114447 15.404534 5.756693 1 457 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 97.66 -5.221065 14.116922 5.919883 1 458 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 97.27 -4.7727857 13.181948 6.5896993 1 459 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 96.88 -3.3436549 15.189636 4.6725636 1 460 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 94.14 -2.2552018 16.25744 4.607071 1 461 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 90.23 -2.7574139 17.583462 4.127721 1 462 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 87.11 -1.917122 18.692463 4.538664 1 463 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 85.94 -0.72058725 18.99358 4.0415564 1 464 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 80.86 -0.057006028 20.011353 4.5149536 1 465 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 81.25 -0.21156894 18.263983 3.0660095 1 466 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 97.27 -6.407612 14.076124 5.3299217 1 467 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 97.66 -7.2718096 12.907341 5.4433403 1 468 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 97.27 -7.602409 12.329937 4.073211 1 469 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 96.48 -7.7010727 13.064035 3.0866609 1 470 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 97.66 -8.597597 13.279896 6.1259394 1 471 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 98.05 -8.476044 13.764627 7.5492344 1 472 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 98.05 -8.389996 15.128408 7.83117 1 473 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 98.05 -8.483646 12.872652 8.610882 1 474 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 98.05 -8.289642 15.587712 9.134682 1 475 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 97.66 -8.383696 13.319747 9.920072 1 476 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 98.44 -8.288509 14.675577 10.168005 1 477 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 98.05 -8.192554 15.129101 11.465164 1 478 +ATOM N N . SER A0 1 61 . 61 SER A0 N 97.27 -7.7968044 11.033151 4.064226 1 479 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 97.27 -8.338193 10.382599 2.8802943 1 480 +ATOM C C . SER A0 1 61 . 61 SER A0 C 97.66 -9.755748 10.911299 2.6853123 1 481 +ATOM O O . SER A0 1 61 . 61 SER A0 O 97.27 -10.473173 11.109055 3.6697197 1 482 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 97.27 -8.373096 8.868779 3.0812004 1 483 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 95.7 -9.284072 8.254032 2.178306 1 484 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 96.88 -10.193198 11.153875 1.4399124 1 485 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 96.48 -11.568006 11.613281 1.228425 1 486 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 96.88 -12.590433 10.66304 1.8402607 1 487 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 96.09 -13.656526 11.101712 2.286748 1 488 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 95.7 -11.682777 11.653245 -0.3047831 1 489 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 93.75 -10.288029 11.90093 -0.76710445 1 490 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 96.09 -9.424324 11.114613 0.18220426 1 491 +ATOM N N . SER A0 1 63 . 63 SER A0 N 96.88 -12.276175 9.371298 1.8885617 1 492 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 96.48 -13.178762 8.372636 2.453915 1 493 +ATOM C C . SER A0 1 63 . 63 SER A0 C 96.88 -13.324537 8.492715 3.9677355 1 494 +ATOM O O . SER A0 1 63 . 63 SER A0 O 95.7 -14.285072 7.9755726 4.5388694 1 495 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 94.92 -12.701094 6.965536 2.1001859 1 496 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 86.72 -12.675842 6.769431 0.6996236 1 497 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 97.66 -12.372024 9.152418 4.6184053 1 498 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 97.66 -12.398975 9.2893505 6.072398 1 499 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 97.27 -12.551268 10.730225 6.5398912 1 500 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 96.09 -12.702644 10.961033 7.737096 1 501 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 97.66 -11.138786 8.66494 6.69048 1 502 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 98.05 -11.100534 7.16324 6.559896 1 503 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 96.88 -10.477217 6.550529 5.4781566 1 504 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 96.88 -11.704617 6.3555894 7.5147686 1 505 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 96.88 -10.46195 5.1665115 5.341036 1 506 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 96.48 -11.686237 4.9730606 7.3886366 1 507 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 97.27 -11.063164 4.3777037 6.3017793 1 508 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 96.88 -12.543133 11.686625 5.611375 1 509 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 96.48 -12.691792 13.098194 5.947059 1 510 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 96.88 -14.013128 13.310133 6.689334 1 511 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 95.7 -15.072353 12.915577 6.202006 1 512 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 94.92 -12.665261 13.951473 4.6810474 1 513 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 88.67 -12.80624 15.446526 4.928971 1 514 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 85.16 -11.56139 16.067493 5.5489244 1 515 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 78.52 -10.456966 15.872927 5.050989 1 516 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 75.78 -11.752197 16.80066 6.6363907 1 517 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 96.88 -13.931124 13.92618 7.8544044 1 518 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 96.48 -15.112516 14.175119 8.647539 1 519 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 96.88 -15.5849285 13.005886 9.485328 1 520 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 95.7 -16.533928 13.1505165 10.263447 1 521 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 97.27 -14.950033 11.849986 9.318478 1 522 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 97.27 -15.350893 10.651558 10.054075 1 523 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 98.05 -14.507267 10.434608 11.298353 1 524 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 96.88 -14.980549 9.855276 12.273369 1 525 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 96.09 -15.258804 9.412094 9.155305 1 526 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 92.19 -16.02857 9.543482 7.8467073 1 527 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 89.84 -17.49556 9.854387 8.07329 1 528 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 82.81 -18.17324 9.184179 8.848938 1 529 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 80.86 -18.000221 10.902016 7.3940306 1 530 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 98.44 -13.260643 10.877588 11.25706 1 531 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 98.44 -12.337008 10.768292 12.376875 1 532 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 98.44 -11.531916 12.057153 12.471665 1 533 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 98.05 -11.511337 12.863272 11.542209 1 534 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 98.05 -11.363028 9.576027 12.216257 1 535 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 96.88 -12.106634 8.242559 12.305942 1 536 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 96.09 -10.589684 9.689871 10.908329 1 537 +ATOM N N . THR A0 1 69 . 69 THR A0 N 98.44 -10.86635 12.248985 13.609207 1 538 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 98.44 -10.008337 13.406948 13.802766 1 539 +ATOM C C . THR A0 1 69 . 69 THR A0 C 98.83 -8.63861 12.9106045 14.259176 1 540 +ATOM O O . THR A0 1 69 . 69 THR A0 O 98.44 -8.5501995 12.0992775 15.18454 1 541 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 98.44 -10.585348 14.372852 14.853975 1 542 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 95.31 -11.859253 14.854143 14.414495 1 543 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 94.92 -9.652285 15.559345 15.079069 1 544 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 98.44 -7.596085 13.365515 13.572571 1 545 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 98.83 -6.230769 13.015892 13.942879 1 546 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 98.83 -5.6204085 14.224946 14.650166 1 547 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 98.44 -5.803036 15.360807 14.2236395 1 548 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 98.83 -5.393441 12.639477 12.698754 1 549 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 98.44 -6.024602 11.429356 11.992649 1 550 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 98.44 -3.9444969 12.342604 13.094702 1 551 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 97.66 -5.39363 11.100395 10.643285 1 552 +ATOM N N . SER A0 1 71 . 71 SER A0 N 98.44 -4.914551 13.976605 15.73527 1 553 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 98.83 -4.2683544 15.0423155 16.491226 1 554 +ATOM C C . SER A0 1 71 . 71 SER A0 C 98.83 -2.9415815 14.550144 17.03941 1 555 +ATOM O O . SER A0 1 71 . 71 SER A0 O 98.44 -2.6592493 13.352531 17.027122 1 556 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 98.44 -5.170437 15.538431 17.630962 1 557 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 97.66 -5.482424 14.495918 18.53218 1 558 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 98.44 -2.127875 15.493152 17.492966 1 559 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 98.44 -0.8257841 15.130381 18.034138 1 560 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 98.44 -0.462216 15.995659 19.23312 1 561 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 98.44 -0.8990525 17.139185 19.343403 1 562 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 98.05 0.2535522 15.273739 16.963623 1 563 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 98.44 0.31019998 15.424341 20.127678 1 564 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 98.44 0.8645772 16.141115 21.274975 1 565 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 98.44 2.361155 15.847758 21.233181 1 566 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 98.05 2.8098884 14.81573 21.716806 1 567 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 98.05 0.2511409 15.652193 22.597227 1 568 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 96.88 0.72682655 16.463013 23.796207 1 569 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 95.31 1.7458932 17.172007 23.675228 1 570 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 93.36 0.07238537 16.3866 24.860384 1 571 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 98.05 3.1058826 16.773987 20.610249 1 572 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 97.66 4.5296817 16.52483 20.442375 1 573 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 98.05 5.309873 16.549217 21.752304 1 574 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 96.88 6.4172616 16.009556 21.811502 1 575 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 95.7 5.141256 17.512264 19.43536 1 576 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 90.23 5.0542536 18.97919 19.849083 1 577 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 90.23 5.6694994 19.84943 18.741543 1 578 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 84.77 5.5233784 21.320187 19.072119 1 579 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 80.08 6.06406 22.171837 17.982573 1 580 +ATOM N N . SER A0 1 75 . 75 SER A0 N 98.05 4.7267914 17.147549 22.820698 1 581 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 98.05 5.407407 17.191395 24.108078 1 582 +ATOM C C . SER A0 1 75 . 75 SER A0 C 98.05 5.547985 15.800057 24.726364 1 583 +ATOM O O . SER A0 1 75 . 75 SER A0 O 97.27 6.4649143 15.561157 25.513288 1 584 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 97.27 4.677184 18.122997 25.084713 1 585 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 91.8 3.4435968 17.578125 25.501888 1 586 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 98.44 4.630933 14.874826 24.356506 1 587 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 98.44 4.713698 13.504901 24.84982 1 588 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 98.44 4.8651 12.512772 23.703892 1 589 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 98.05 4.6312637 11.310342 23.871956 1 590 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 98.05 3.4949992 13.127037 25.725407 1 591 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 96.88 2.1932817 13.331961 24.970287 1 592 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 96.09 3.5138094 13.925123 27.029276 1 593 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 93.36 0.9665976 12.759227 25.677837 1 594 +ATOM N N . SER A0 1 77 . 77 SER A0 N 98.44 5.2514396 13.015783 22.53545 1 595 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 98.44 5.5110073 12.190664 21.357035 1 596 +ATOM C C . SER A0 1 77 . 77 SER A0 C 98.83 4.3641396 11.226146 21.061531 1 597 +ATOM O O . SER A0 1 77 . 77 SER A0 O 98.44 4.5881567 10.050516 20.76672 1 598 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 98.44 6.8161435 11.41206 21.539429 1 599 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 95.7 7.916871 12.285015 21.738071 1 600 +ATOM N N . THR A0 1 78 . 78 THR A0 N 98.83 3.1332211 11.747627 21.10962 1 601 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 98.83 1.961653 10.911354 20.917973 1 602 +ATOM C C . THR A0 1 78 . 78 THR A0 C 98.83 1.008471 11.482233 19.866268 1 603 +ATOM O O . THR A0 1 78 . 78 THR A0 O 98.83 0.7269331 12.680129 19.854013 1 604 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 98.83 1.2074146 10.715496 22.242994 1 605 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 97.66 2.097346 10.117576 23.199337 1 606 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 97.66 -0.004454385 9.809277 22.066544 1 607 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 98.83 0.5275142 10.596954 19.00156 1 608 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 98.83 -0.46678096 10.940832 17.990376 1 609 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 98.44 -1.7455891 10.193138 18.337572 1 610 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 98.83 -1.6939164 9.086199 18.88256 1 611 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 98.44 0.043096617 10.562005 16.582663 1 612 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 96.09 1.1488547 11.526408 16.161457 1 613 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 95.31 -1.0831032 10.592029 15.567995 1 614 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 98.83 -2.9098492 10.805467 18.035305 1 615 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 98.83 -4.2045918 10.225359 18.365414 1 616 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 98.44 -5.1114693 10.089752 17.15023 1 617 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 98.83 -5.007232 10.865215 16.192326 1 618 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 98.44 -4.933138 11.085456 19.409557 1 619 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 98.44 -4.1426225 11.332251 20.670639 1 620 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 98.44 -3.4077172 12.502806 20.83657 1 621 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 98.05 -4.145685 10.404243 21.70161 1 622 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 98.05 -2.6840792 12.734594 21.994213 1 623 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 98.05 -3.4241033 10.630554 22.864197 1 624 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 98.05 -2.6977825 11.798161 23.003426 1 625 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 97.66 -1.9799078 12.027511 24.147831 1 626 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 98.83 -5.9947557 9.115803 17.235603 1 627 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 98.44 -7.064086 8.927151 16.260923 1 628 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 98.83 -8.3458605 8.942368 17.077208 1 629 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 98.83 -8.479461 8.163082 18.031038 1 630 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 98.44 -6.9238677 7.5973134 15.518538 1 631 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 98.44 -7.999439 7.295351 14.469181 1 632 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 97.66 -7.830559 5.870289 13.942912 1 633 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 97.66 -7.9358134 8.2999525 13.320913 1 634 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 98.44 -9.285009 9.840694 16.728073 1 635 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 98.83 -10.471117 10.044895 17.546963 1 636 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 98.83 -11.772219 9.964551 16.76014 1 637 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 98.44 -11.84092 10.423155 15.612274 1 638 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 98.44 -10.377007 11.396835 18.262722 1 639 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 93.36 -11.538258 11.690586 19.19576 1 640 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 91.8 -11.373945 13.011182 19.92445 1 641 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 83.98 -10.297331 13.612958 19.908115 1 642 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 81.64 -12.422668 13.475256 20.582573 1 643 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 98.83 -12.791832 9.390259 17.388813 1 644 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 98.44 -14.152936 9.357061 16.870207 1 645 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 98.44 -15.032433 10.086603 17.885315 1 646 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 98.44 -14.899064 9.879868 19.101385 1 647 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 98.05 -14.683273 7.9239397 16.755516 1 648 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 98.05 -14.023187 7.040695 15.750212 1 649 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 96.48 -14.471095 6.752144 14.497339 1 650 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 98.05 -12.820464 6.2879663 15.913478 1 651 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 96.88 -13.6181755 5.865843 13.886902 1 652 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 97.66 -12.591663 5.5759845 14.730923 1 653 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 97.27 -11.900158 6.1664553 16.980196 1 654 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 97.27 -11.498104 4.7374105 14.561926 1 655 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 96.48 -10.812683 5.324513 16.794958 1 656 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 96.48 -10.620997 4.6377306 15.597033 1 657 +ATOM N N . SER A0 1 84 . 84 SER A0 N 98.44 -15.953023 10.894341 17.394539 1 658 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 98.05 -16.902302 11.549056 18.297924 1 659 +ATOM C C . SER A0 1 84 . 84 SER A0 C 98.44 -18.133833 10.67276 18.513224 1 660 +ATOM O O . SER A0 1 84 . 84 SER A0 O 97.66 -18.812664 10.786471 19.534376 1 661 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 97.66 -17.337082 12.908526 17.732155 1 662 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 91.8 -17.974842 12.749701 16.487228 1 663 +ATOM N N . SER A0 1 85 . 85 SER A0 N 98.05 -18.404957 9.810903 17.538284 1 664 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 98.05 -19.548878 8.90541 17.616573 1 665 +ATOM C C . SER A0 1 85 . 85 SER A0 C 98.05 -19.234627 7.6388636 16.825659 1 666 +ATOM O O . SER A0 1 85 . 85 SER A0 O 97.66 -19.285809 7.6365795 15.595051 1 667 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 97.66 -20.813076 9.581459 17.063816 1 668 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 92.58 -21.944866 8.725495 17.160915 1 669 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 98.05 -18.919205 6.5790234 17.54707 1 670 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 98.05 -18.547436 5.3191366 16.917057 1 671 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 98.05 -19.739994 4.612172 16.282013 1 672 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 97.66 -20.867764 4.7107763 16.768837 1 673 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 98.05 -17.89309 4.3867693 17.941494 1 674 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 97.66 -16.475304 4.747561 18.376331 1 675 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 96.88 -16.14717 4.0518026 19.69373 1 676 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 96.48 -15.483267 4.3326845 17.29169 1 677 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 97.66 -19.454428 3.9008973 15.193269 1 678 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 97.66 -20.431885 3.074318 14.501107 1 679 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 97.27 -19.927757 1.6415994 14.524853 1 680 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 96.88 -18.723637 1.4058697 14.634929 1 681 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 96.48 -20.614109 3.5395682 13.05582 1 682 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 93.36 -21.150097 4.9610124 12.932567 1 683 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 88.28 -21.149357 5.4137554 11.477999 1 684 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 79.69 -19.760355 5.742175 10.994196 1 685 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 70.7 -19.755596 6.3187127 9.628143 1 686 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 95.7 -20.860622 0.69260776 14.4049225 1 687 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 95.7 -20.475225 -0.71899474 14.395829 1 688 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 96.09 -19.486273 -1.0013181 13.265604 1 689 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 95.7 -18.612701 -1.8571323 13.397743 1 690 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 94.14 -21.711714 -1.6026895 14.260682 1 691 +ATOM N N . SER A0 1 89 . 89 SER A0 N 96.88 -19.625399 -0.2659371 12.156105 1 692 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 96.09 -18.749163 -0.4499113 11.006201 1 693 +ATOM C C . SER A0 1 89 . 89 SER A0 C 96.88 -17.32295 0.044949226 11.250892 1 694 +ATOM O O . SER A0 1 89 . 89 SER A0 O 96.09 -16.456127 -0.14400679 10.391112 1 695 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 94.92 -19.337437 0.24659096 9.7674 1 696 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 87.5 -19.508568 1.6327343 9.988934 1 697 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 98.05 -17.072855 0.6721394 12.404162 1 698 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 98.05 -15.722977 1.1090178 12.75214 1 699 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 98.05 -14.905138 -0.026702037 13.363108 1 700 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 97.66 -13.730629 0.16605812 13.682487 1 701 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 98.44 -15.766612 2.296313 13.735292 1 702 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 98.05 -16.274979 3.564187 13.079366 1 703 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 97.27 -17.06699 4.2906446 13.732414 1 704 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 97.27 -15.872352 3.8483312 11.926469 1 705 +ATOM N N . THR A0 1 91 . 91 THR A0 N 96.48 -15.512007 -1.1876278 13.545675 1 706 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 96.48 -14.803463 -2.341062 14.091446 1 707 +ATOM C C . THR A0 1 91 . 91 THR A0 C 96.88 -13.675536 -2.7218108 13.132069 1 708 +ATOM O O . THR A0 1 91 . 91 THR A0 O 96.88 -13.923356 -3.0464678 11.970757 1 709 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 95.7 -15.756048 -3.5339715 14.294861 1 710 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 94.92 -16.738005 -3.1910682 15.280191 1 711 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 94.92 -14.999689 -4.77791 14.73539 1 712 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 97.66 -12.44765 -2.6482224 13.618805 1 713 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 97.66 -11.289377 -2.9186454 12.772703 1 714 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 97.66 -10.011412 -2.8349338 13.590775 1 715 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 97.66 -10.02413 -2.4107103 14.744371 1 716 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 97.66 -11.220385 -1.9017367 11.621032 1 717 +ATOM N N . MET A0 1 93 . 93 MET A0 N 97.66 -8.905834 -3.243053 12.96051 1 718 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 97.66 -7.5871677 -3.0476623 13.535248 1 719 +ATOM C C . MET A0 1 93 . 93 MET A0 C 98.05 -7.0808325 -1.7253826 12.981879 1 720 +ATOM O O . MET A0 1 93 . 93 MET A0 O 98.05 -7.2232933 -1.4465574 11.779092 1 721 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 97.27 -6.636319 -4.1801205 13.119286 1 722 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 94.92 -5.2461767 -4.0717916 13.712542 1 723 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 93.36 -5.2076006 -4.3733277 15.498519 1 724 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 87.11 -5.4558096 -6.1586533 15.514281 1 725 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 98.44 -6.523327 -0.8883117 13.848291 1 726 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 98.44 -5.987306 0.40579864 13.438136 1 727 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 98.44 -4.4871836 0.45067316 13.712396 1 728 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 98.44 -4.0452404 0.15296152 14.82654 1 729 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 98.44 -6.708538 1.5490973 14.173758 1 730 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 98.83 -8.164005 1.6581945 13.77663 1 731 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 98.83 -9.141817 0.9077981 14.423203 1 732 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 98.83 -8.554867 2.4776232 12.723548 1 733 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 98.83 -10.471313 0.9720361 14.030794 1 734 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 98.44 -9.884593 2.5535913 12.328321 1 735 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 98.44 -10.8349285 1.7971737 12.986512 1 736 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 98.44 -12.144618 1.8573887 12.593277 1 737 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 98.83 -3.72442 0.81685174 12.682915 1 738 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 98.83 -2.2778544 0.91146064 12.800255 1 739 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 98.83 -1.7997953 2.3478937 12.630064 1 740 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 98.83 -2.3254733 3.0838284 11.790151 1 741 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 98.83 -1.5862725 0.08308972 11.707489 1 742 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 98.83 -1.7847742 -1.4063346 11.788322 1 743 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 98.44 -2.6957664 -2.0507455 10.956404 1 744 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 98.44 -1.0468895 -2.180174 12.676029 1 745 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 98.05 -2.8672452 -3.4233167 11.014619 1 746 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 98.44 -1.217851 -3.5555964 12.741483 1 747 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 98.44 -2.1232717 -4.164541 11.910169 1 748 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 98.05 -2.2921267 -5.518424 11.966173 1 749 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 98.83 -0.80961245 2.74476 13.417053 1 750 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 98.83 -0.1185173 4.0008087 13.16146 1 751 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 98.83 1.2171435 3.6235309 12.5485325 1 752 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 98.83 1.7153082 2.5089788 12.754128 1 753 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 98.05 0.07649634 4.823348 14.445925 1 754 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 95.31 1.106647 4.074475 15.71244 1 755 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 98.44 1.7749624 4.5188866 11.738082 1 756 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 98.44 3.0398583 4.218436 11.075131 1 757 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 98.83 3.7770138 5.5173645 10.750019 1 758 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 98.44 3.1492927 6.5296335 10.42334 1 759 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 98.44 2.7951765 3.4153776 9.797353 1 760 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 98.05 5.118456 5.4821243 10.861643 1 761 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 98.44 5.933894 6.648377 10.550508 1 762 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 98.05 6.0781517 6.7765846 9.040616 1 763 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 98.05 6.441594 5.8111553 8.3582 1 764 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 98.05 7.319952 6.534932 11.196962 1 765 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 97.27 8.121559 7.827031 11.080821 1 766 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 96.09 9.499823 7.6931286 11.702023 1 767 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 94.92 10.421022 6.9823213 10.824432 1 768 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 95.31 11.733951 6.9496384 10.9927435 1 769 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 92.19 12.290906 7.610385 11.992223 1 770 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 92.19 12.487054 6.2605705 10.151929 1 771 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 98.05 5.7752323 7.972941 8.543546 1 772 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 97.66 5.8053417 8.235748 7.1078024 1 773 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 97.66 7.0682487 8.99996 6.715122 1 774 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 97.27 7.2749214 10.135039 7.150528 1 775 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 97.27 4.563799 9.0366955 6.699452 1 776 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 96.88 4.3669696 9.1515465 5.218905 1 777 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 93.75 4.2562113 10.378402 4.581709 1 778 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 93.75 4.2353735 8.216171 4.2682295 1 779 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 93.36 4.06608 10.173329 3.2858236 1 780 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 94.14 4.0535684 8.863699 3.0661376 1 781 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 96.48 7.899556 8.367197 5.8997188 1 782 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 95.7 9.105712 8.992767 5.37899 1 783 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 95.31 8.737588 9.696158 4.0730352 1 784 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 94.14 8.210794 9.060009 3.1574519 1 785 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 95.7 10.217152 7.9591427 5.1089315 1 786 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 94.14 10.621879 7.2373033 6.3952436 1 787 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 93.36 11.431162 8.636638 4.4536963 1 788 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 92.19 11.285917 8.11583 7.4299436 1 789 +ATOM N N . THR A0 1 101 . 101 THR A0 N 93.75 8.979402 11.006802 4.016427 1 790 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 93.36 8.71415 11.757168 2.7928605 1 791 +ATOM C C . THR A0 1 101 . 101 THR A0 C 93.36 10.054985 12.078682 2.1307642 1 792 +ATOM O O . THR A0 1 101 . 101 THR A0 O 92.19 10.784283 12.971714 2.5739512 1 793 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 91.8 7.954387 13.06628 3.0858216 1 794 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 87.5 8.616304 13.797234 4.112498 1 795 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 87.11 6.524852 12.769728 3.5161033 1 796 +ATOM N N . THR A0 1 102 . 102 THR A0 N 92.19 10.370237 11.336756 1.0746176 1 797 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 91.41 11.627968 11.561407 0.37032187 1 798 +ATOM C C . THR A0 1 102 . 102 THR A0 C 91.41 11.580833 12.852022 -0.43857694 1 799 +ATOM O O . THR A0 1 102 . 102 THR A0 O 89.45 12.60944 13.496368 -0.64562905 1 800 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 89.45 11.975389 10.373679 -0.53743553 1 801 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 83.59 10.872576 10.079309 -1.4070623 1 802 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 82.03 12.293599 9.135074 0.29263425 1 803 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 91.02 10.383332 13.229172 -0.8991959 1 804 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 90.62 10.118391 14.535074 -1.487018 1 805 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 91.02 8.611883 14.729668 -1.539274 1 806 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 89.45 7.857357 13.86287 -1.0786994 1 807 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 89.45 10.7748165 14.714682 -2.860898 1 808 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 88.28 10.341797 13.746301 -3.9277704 1 809 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 80.86 9.083985 13.764467 -4.4932117 1 810 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 81.25 11.0302 12.769752 -4.5568886 1 811 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 81.25 9.00894 12.821173 -5.419139 1 812 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 82.81 10.182231 12.20382 -5.468811 1 813 +ATOM N N . THR A0 1 104 . 104 THR A0 N 89.45 8.145695 15.86499 -2.0744567 1 814 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 89.06 6.7379255 16.229073 -2.0517066 1 815 +ATOM C C . THR A0 1 104 . 104 THR A0 C 89.84 5.794107 15.130153 -2.5291367 1 816 +ATOM O O . THR A0 1 104 . 104 THR A0 O 87.89 4.7066317 14.952084 -1.9667213 1 817 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 87.11 6.5058193 17.498554 -2.905438 1 818 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 80.86 7.413411 18.519472 -2.4817224 1 819 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 80.47 5.067072 18.004776 -2.7533364 1 820 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 91.02 6.183751 14.396252 -3.5435536 1 821 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 91.02 5.3126965 13.408026 -4.159797 1 822 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 92.19 5.7222376 11.955425 -3.918849 1 823 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 90.23 5.2268734 11.060334 -4.6091795 1 824 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 88.67 5.2425127 13.656433 -5.6702967 1 825 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 86.72 4.8616524 15.076971 -6.0265884 1 826 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 83.2 5.81991 15.989111 -6.465026 1 827 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 83.2 3.5477448 15.511829 -5.912213 1 828 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 80.08 5.4709997 17.291536 -6.7831964 1 829 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 79.3 3.1976209 16.815674 -6.225864 1 830 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 79.3 4.1532364 17.703001 -6.6656547 1 831 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 76.56 3.812495 18.980753 -6.9773626 1 832 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 92.58 6.5777225 11.716762 -2.9367108 1 833 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 92.58 7.0718946 10.374958 -2.71292 1 834 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 93.36 7.204426 10.084049 -1.2237756 1 835 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 91.41 7.778882 10.891982 -0.4845009 1 836 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 90.23 8.427968 10.210385 -3.4096193 1 837 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 84.77 8.790039 8.811383 -3.784846 1 838 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 82.03 9.791905 8.847108 -4.922039 1 839 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 78.12 11.153447 8.981155 -4.4228873 1 840 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 74.22 12.204845 9.16153 -5.213169 1 841 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 67.19 12.048103 9.241962 -6.526371 1 842 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 67.58 13.39675 9.268219 -4.6772833 1 843 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 95.31 6.6747074 8.958327 -0.7989181 1 844 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 95.31 6.75125 8.603093 0.60723484 1 845 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 96.09 6.324899 7.1728983 0.86385846 1 846 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 94.92 5.720626 6.5216436 0.012428358 1 847 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 97.27 6.6423264 6.685439 2.065587 1 848 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 97.27 6.332576 5.325221 2.4617448 1 849 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 97.66 6.3387985 5.232316 3.9769979 1 850 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 97.27 6.826932 6.1378202 4.6622915 1 851 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 97.27 7.3487206 4.3411064 1.8652465 1 852 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 96.88 8.781456 4.696928 2.17972 1 853 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 96.09 9.499474 5.528091 1.3368244 1 854 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 96.09 9.3979435 4.225827 3.3219962 1 855 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 95.31 10.821089 5.8827057 1.6340556 1 856 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 95.31 10.706854 4.572704 3.6229725 1 857 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 95.7 11.417337 5.3967195 2.7777915 1 858 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 98.44 5.798509 4.135354 4.51982 1 859 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 98.44 5.7639885 3.9095216 5.9574842 1 860 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 98.05 6.857047 2.8986907 6.313555 1 861 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 98.05 6.7881885 1.7427573 5.902823 1 862 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 98.05 4.4020033 3.3531609 6.3869677 1 863 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 98.05 3.256936 4.3131957 6.1906767 1 864 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 98.05 2.231499 4.0213394 5.2990084 1 865 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 98.05 3.1898046 5.491783 6.910406 1 866 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 97.27 1.1645801 4.895509 5.132287 1 867 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 97.66 2.129647 6.374987 6.747178 1 868 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 97.66 1.1119771 6.0712028 5.855753 1 869 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 97.66 7.8711567 3.329691 7.06376 1 870 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 97.27 8.963259 2.4138818 7.3797255 1 871 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 97.66 8.82019 1.7040204 8.719488 1 872 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 97.66 9.3514185 0.59949386 8.879774 1 873 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 96.09 10.332263 3.0964277 7.268202 1 874 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 94.92 10.566508 4.238307 8.2523775 1 875 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 91.8 9.6023445 4.6956744 8.895355 1 876 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 91.02 11.736742 4.6666465 8.377922 1 877 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 98.05 8.132752 2.292986 9.686253 1 878 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 98.05 7.9134064 1.6495337 10.977584 1 879 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 98.44 6.4344645 1.7145518 11.332638 1 880 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 98.05 5.80122 2.7548075 11.15696 1 881 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 97.27 8.759301 2.3094378 12.081727 1 882 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 96.48 10.22468 1.9851886 11.985032 1 883 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 94.92 11.090866 2.8189955 11.289445 1 884 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 94.53 10.732696 0.8408176 12.571304 1 885 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 92.97 12.439795 2.513617 11.181059 1 886 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 92.97 12.0835495 0.5306708 12.470774 1 887 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 93.36 12.936003 1.3695557 11.773979 1 888 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 98.44 5.9173307 0.59847385 11.826177 1 889 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 98.44 4.4997168 0.4780815 12.161775 1 890 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 98.44 4.312705 0.13608427 13.631221 1 891 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 98.83 5.1334963 -0.5710654 14.226961 1 892 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 98.83 3.844446 -0.63103443 11.329349 1 893 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 98.83 3.7859068 -0.36935598 9.857656 1 894 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 98.44 4.845567 -0.28071368 8.99597 1 895 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 98.44 2.6030314 -0.19470939 9.073302 1 896 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 98.44 4.3882813 -0.055121377 7.7212257 1 897 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 98.44 3.0192094 0.0057844766 7.7453337 1 898 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 98.83 1.2263858 -0.18309152 9.3766 1 899 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 98.44 2.110011 0.20696446 6.6974897 1 900 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 98.44 0.32391638 0.022759356 8.342424 1 901 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 98.44 0.7670795 0.21765584 7.0254927 1 902 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 98.44 3.2034738 0.61918706 14.194775 1 903 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 98.83 2.8253922 0.22460374 15.543583 1 904 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 98.44 2.2690482 -1.1867646 15.495684 1 905 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 98.44 2.0336206 -1.7452717 14.426418 1 906 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 98.44 2.024461 -1.7687964 16.665453 1 907 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 98.44 1.5465806 -3.1437945 16.734156 1 908 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 98.05 0.06773496 -3.2794132 16.406887 1 909 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 98.05 -0.424064 -4.400522 16.220257 1 910 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 98.05 1.829205 -3.7376626 18.12938 1 911 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 97.66 0.8064623 -3.3776803 19.218487 1 912 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 97.66 1.0312066 -2.0205574 19.861122 1 913 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 96.48 1.7758518 -1.1644943 19.328556 1 914 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 96.09 0.3756005 -1.8076925 21.006239 1 915 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 98.44 -0.63919747 -2.1661937 16.336306 1 916 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 98.05 -2.0614755 -2.181243 16.035671 1 917 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 98.05 -2.9348564 -2.0898213 17.273388 1 918 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 97.66 -2.541217 -2.5161815 18.360039 1 919 +ATOM N N . THR A0 1 116 . 116 THR A0 N 97.66 -4.1233754 -1.4983145 17.103085 1 920 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 98.05 -5.106143 -1.4023551 18.171906 1 921 +ATOM C C . THR A0 1 116 . 116 THR A0 C 98.05 -6.424197 -1.9356705 17.616375 1 922 +ATOM O O . THR A0 1 116 . 116 THR A0 O 98.05 -6.9425974 -1.4135821 16.62511 1 923 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 98.05 -5.3135433 0.058448974 18.638905 1 924 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 97.27 -4.099818 0.56429744 19.199966 1 925 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 97.27 -6.4246373 0.1371263 19.681255 1 926 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 96.48 -6.951936 -2.9734018 18.25203 1 927 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 96.09 -8.220814 -3.549631 17.831211 1 928 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 96.09 -9.359223 -2.7692678 18.472221 1 929 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 95.7 -9.420744 -2.6372294 19.700342 1 930 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 94.53 -8.310456 -5.0274754 18.214466 1 931 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 90.23 -9.599857 -5.7450833 17.817158 1 932 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 87.89 -9.626547 -7.1487675 18.392376 1 933 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 87.89 -9.763075 -5.765355 16.299679 1 934 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 97.27 -10.25119 -2.235475 17.638584 1 935 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 97.66 -11.408236 -1.4940295 18.124832 1 936 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 97.27 -12.64901 -2.3022833 17.774555 1 937 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 96.88 -12.8759365 -2.631054 16.60407 1 938 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 97.66 -11.497175 -0.08422242 17.492918 1 939 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 97.27 -12.794897 0.6070515 17.910831 1 940 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 97.27 -10.282786 0.75545037 17.905827 1 941 +ATOM N N . THR A0 1 119 . 119 THR A0 N 96.09 -13.432662 -2.645621 18.789331 1 942 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 96.09 -14.665869 -3.3946724 18.598928 1 943 +ATOM C C . THR A0 1 119 . 119 THR A0 C 96.48 -15.830002 -2.4991553 19.013474 1 944 +ATOM O O . THR A0 1 119 . 119 THR A0 O 96.09 -15.857883 -1.991169 20.140167 1 945 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 95.31 -14.67827 -4.684121 19.437683 1 946 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 93.36 -13.560789 -5.50015 19.054527 1 947 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 93.36 -15.968126 -5.4613647 19.226967 1 948 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 97.66 -16.765732 -2.2835484 18.096878 1 949 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 97.66 -17.9218 -1.4393771 18.37878 1 950 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 97.27 -19.17619 -2.2921467 18.252678 1 951 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 96.48 -19.472591 -2.8280132 17.184645 1 952 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 97.66 -18.006943 -0.23387167 17.414875 1 953 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 96.88 -19.139467 0.69557714 17.829288 1 954 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 96.88 -16.676025 0.5198914 17.379862 1 955 +ATOM N N . SER A0 1 121 . 121 SER A0 N 97.27 -19.89373 -2.4188888 19.34358 1 956 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 96.88 -21.090017 -3.2465606 19.366562 1 957 +ATOM C C . SER A0 1 121 . 121 SER A0 C 96.88 -21.998085 -2.8291636 20.51794 1 958 +ATOM O O . SER A0 1 121 . 121 SER A0 O 96.09 -21.512619 -2.35361 21.549377 1 959 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 95.7 -20.716309 -4.722773 19.511238 1 960 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 92.58 -21.862278 -5.535098 19.69069 1 961 +ATOM N N . SER A0 1 122 . 122 SER A0 N 96.48 -23.308765 -3.0320654 20.325798 1 962 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 96.09 -24.264194 -2.7410536 21.395628 1 963 +ATOM C C . SER A0 1 122 . 122 SER A0 C 96.09 -24.338741 -3.886179 22.401348 1 964 +ATOM O O . SER A0 1 122 . 122 SER A0 O 94.53 -24.995224 -3.7694879 23.439636 1 965 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 94.53 -25.659079 -2.4807928 20.807865 1 966 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 87.5 -26.132471 -3.6048994 20.08871 1 967 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 96.09 -23.654678 -5.0003996 22.081274 1 968 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 96.09 -23.667677 -6.1665516 22.955639 1 969 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 96.09 -22.94773 -5.8845143 24.267448 1 970 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 94.92 -22.00613 -5.1027355 24.31134 1 971 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 95.31 -23.036186 -7.363948 22.255966 1 972 +ATOM N N . SER A0 1 124 . 124 SER A0 N 95.7 -23.419062 -6.55571 25.317074 1 973 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 95.31 -22.78804 -6.4498224 26.625916 1 974 +ATOM C C . SER A0 1 124 . 124 SER A0 C 96.09 -21.885963 -7.6602364 26.836212 1 975 +ATOM O O . SER A0 1 124 . 124 SER A0 O 95.7 -22.087263 -8.711102 26.22268 1 976 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 93.75 -23.843117 -6.3983927 27.7337 1 977 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 84.77 -24.690811 -5.271794 27.595985 1 978 +ATOM N N . THR A0 1 125 . 125 THR A0 N 95.7 -20.895172 -7.4820056 27.690086 1 979 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 95.7 -19.98882 -8.584402 27.985386 1 980 +ATOM C C . THR A0 1 125 . 125 THR A0 C 96.09 -20.783241 -9.799944 28.462166 1 981 +ATOM O O . THR A0 1 125 . 125 THR A0 O 95.7 -21.62937 -9.688861 29.35079 1 982 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 94.92 -18.964489 -8.174828 29.060764 1 983 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 91.02 -18.180368 -7.082435 28.572075 1 984 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 90.62 -18.04218 -9.336846 29.412315 1 985 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 97.66 -20.517097 -10.928682 27.829487 1 986 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 97.66 -21.244827 -12.149029 28.152838 1 987 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 97.66 -20.341335 -13.357853 27.97049 1 988 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 97.66 -19.643467 -13.471215 26.956783 1 989 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 97.27 -22.481543 -12.279036 27.248522 1 990 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 95.31 -23.315138 -13.532231 27.495693 1 991 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 92.97 -24.495174 -13.603392 26.54212 1 992 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 89.06 -25.372005 -14.825851 26.800365 1 993 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 83.59 -24.61022 -16.089859 26.58993 1 994 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 98.05 -20.359917 -14.231328 28.951746 1 995 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 98.05 -19.579966 -15.460345 28.859955 1 996 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 98.05 -20.258247 -16.460062 27.94665 1 997 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 98.05 -21.473442 -16.4017 27.744255 1 998 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 98.44 -19.479902 -17.387615 27.37968 1 999 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 98.44 -20.058441 -18.341333 26.43312 1 1000 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 98.05 -20.785534 -19.506203 27.091358 1 1001 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 98.05 -20.514202 -19.852156 28.241459 1 1002 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 98.05 -18.830273 -18.859814 25.680014 1 1003 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 97.27 -17.761345 -18.83349 26.72139 1 1004 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 98.05 -18.022406 -17.566368 27.518063 1 1005 +ATOM N N . SER A0 1 129 . 129 SER A0 N 98.05 -21.68011 -20.090614 26.315699 1 1006 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 98.44 -22.286945 -21.37016 26.681393 1 1007 +ATOM C C . SER A0 1 129 . 129 SER A0 C 98.44 -21.469421 -22.374266 25.884113 1 1008 +ATOM O O . SER A0 1 129 . 129 SER A0 O 98.44 -21.143045 -22.115496 24.712845 1 1009 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 98.05 -23.755257 -21.43677 26.25771 1 1010 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 94.14 -24.536907 -20.473179 26.953896 1 1011 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 98.44 -21.096256 -23.46597 26.498787 1 1012 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 98.44 -20.276333 -24.462727 25.825106 1 1013 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 98.44 -21.083248 -25.749205 25.64924 1 1014 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 98.44 -21.540924 -26.341803 26.632065 1 1015 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 98.44 -18.969627 -24.741539 26.602512 1 1016 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 98.05 -18.102043 -25.74673 25.85075 1 1017 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 97.66 -18.20193 -23.439232 26.82388 1 1018 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 98.44 -21.255762 -26.1486 24.407429 1 1019 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 98.83 -22.036469 -27.336021 24.089231 1 1020 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 98.44 -21.158997 -28.378641 23.406157 1 1021 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 98.44 -20.255192 -28.022234 22.643713 1 1022 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 98.44 -23.212114 -26.984089 23.165508 1 1023 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 98.44 -24.120708 -25.923061 23.718227 1 1024 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 97.66 -24.24947 -24.703825 23.073563 1 1025 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 97.66 -24.839195 -26.161095 24.871311 1 1026 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 97.66 -25.087027 -23.727863 23.587864 1 1027 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 97.66 -25.671938 -25.191727 25.391165 1 1028 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 98.05 -25.800175 -23.973333 24.74311 1 1029 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 98.44 -21.42562 -29.65456 23.67554 1 1030 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 98.05 -20.608051 -30.692862 23.047218 1 1031 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 98.05 -21.000843 -30.951672 21.600208 1 1032 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 97.66 -22.174284 -30.852968 21.23613 1 1033 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 97.66 -20.887924 -31.928286 23.91603 1 1034 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 96.48 -22.298365 -31.72208 24.369667 1 1035 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 97.66 -22.413471 -30.230715 24.605228 1 1036 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 98.05 -20.007973 -31.240068 20.798376 1 1037 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 98.05 -20.194252 -31.73952 19.440262 1 1038 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 97.66 -19.804375 -33.20363 19.570919 1 1039 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 97.27 -18.635399 -33.56886 19.450047 1 1040 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 98.05 -19.28487 -31.00134 18.444763 1 1041 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 98.05 -19.565674 -29.509426 18.29645 1 1042 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 96.88 -18.491278 -28.839474 17.45698 1 1043 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 96.48 -20.940868 -29.276426 17.690395 1 1044 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 96.09 -20.798452 -34.03328 19.908205 1 1045 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 95.7 -20.567028 -35.43168 20.263313 1 1046 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 95.7 -20.23639 -36.318253 19.065977 1 1047 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 94.92 -20.8311 -36.17733 17.99939 1 1048 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 94.92 -21.781305 -35.99053 20.992548 1 1049 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 93.36 -19.282768 -37.245728 19.266163 1 1050 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 92.58 -18.951672 -38.183464 18.195843 1 1051 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 91.41 -20.096626 -39.168365 17.980871 1 1052 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 88.67 -20.84795 -39.472023 18.914042 1 1053 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 91.8 -17.700539 -38.888542 18.721817 1 1054 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 90.23 -17.846342 -38.827908 20.20583 1 1055 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 92.19 -18.498842 -37.493233 20.481037 1 1056 +ATOM N N . SER A0 1 136 . 136 SER A0 N 79.69 -20.222834 -39.661705 16.747753 1 1057 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 79.69 -21.287727 -40.598484 16.414276 1 1058 +ATOM C C . SER A0 1 136 . 136 SER A0 C 80.86 -21.105568 -41.92031 17.148327 1 1059 +ATOM O O . SER A0 1 136 . 136 SER A0 O 77.34 -19.97262 -42.39049 17.301456 1 1060 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 75.0 -21.322014 -40.84617 14.90797 1 1061 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 69.14 -22.288351 -41.835136 14.567438 1 1062 +ATOM N N . SER A0 1 137 . 137 SER A0 N 73.05 -22.22192 -42.48362 17.56649 1 1063 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 71.09 -22.18291 -43.776573 18.250782 1 1064 +ATOM C C . SER A0 1 137 . 137 SER A0 C 72.66 -22.163345 -44.92773 17.25307 1 1065 +ATOM O O . SER A0 1 137 . 137 SER A0 O 67.97 -21.995823 -46.086258 17.644073 1 1066 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 66.41 -23.401115 -43.922604 19.169613 1 1067 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 60.55 -24.61553 -43.845097 18.438335 1 1068 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 66.02 -22.353125 -44.596962 15.98759 1 1069 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 64.06 -22.339546 -45.610916 14.941908 1 1070 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 65.23 -20.93686 -46.17753 14.781782 1 1071 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 59.77 -19.950035 -45.43221 14.817688 1 1072 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 59.77 -22.821846 -45.02846 13.607879 1 1073 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 54.69 -24.269566 -44.55522 13.638224 1 1074 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 51.17 -24.684732 -44.00921 12.275888 1 1075 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 46.48 -26.11973 -43.51144 12.296435 1 1076 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 42.77 -26.522081 -42.954933 10.986732 1 1077 +ATOM N N . SER A0 1 139 . 139 SER A0 N 62.11 -20.87815 -47.477936 14.606697 1 1078 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 60.16 -19.597355 -48.15605 14.434568 1 1079 +ATOM C C . SER A0 1 139 . 139 SER A0 C 62.89 -19.007885 -47.803898 13.065386 1 1080 +ATOM O O . SER A0 1 139 . 139 SER A0 O 58.98 -19.6776 -47.911835 12.040571 1 1081 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 55.47 -19.782158 -49.677925 14.553436 1 1082 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 50.78 -20.672836 -50.178925 13.576246 1 1083 +ATOM N N . THR A0 1 140 . 140 THR A0 N 68.36 -17.731153 -47.3636 13.083001 1 1084 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 67.58 -17.034367 -47.021263 11.853647 1 1085 +ATOM C C . THR A0 1 140 . 140 THR A0 C 70.7 -15.923189 -48.028603 11.609217 1 1086 +ATOM O O . THR A0 1 140 . 140 THR A0 O 66.02 -15.296812 -48.517757 12.55452 1 1087 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 62.5 -16.447731 -45.599335 11.926678 1 1088 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 56.64 -15.592655 -45.49376 13.0576935 1 1089 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 55.08 -17.556824 -44.558758 12.041028 1 1090 +ATOM N N . SER A0 1 141 . 141 SER A0 N 66.41 -15.653985 -48.32116 10.320764 1 1091 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 65.62 -14.646191 -49.306084 9.942851 1 1092 +ATOM C C . SER A0 1 141 . 141 SER A0 C 68.36 -13.246026 -48.673786 9.908833 1 1093 +ATOM O O . SER A0 1 141 . 141 SER A0 O 63.28 -12.945493 -47.862335 9.01841 1 1094 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 60.55 -14.995649 -49.923088 8.588307 1 1095 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 55.47 -15.100103 -48.924385 7.578484 1 1096 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 69.92 -12.40897 -49.092327 10.871948 1 1097 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 68.75 -11.01218 -48.66349 10.939909 1 1098 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 71.48 -10.810099 -47.19043 10.638813 1 1099 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 66.02 -9.967783 -46.833473 9.8034525 1 1100 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 80.86 -11.578292 -46.396706 11.3267355 1 1101 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 82.03 -11.529444 -45.00208 10.961613 1 1102 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 85.16 -11.275454 -44.00699 12.06778 1 1103 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 82.42 -10.793378 -44.33942 13.149289 1 1104 +ATOM N N . THR A0 1 144 . 144 THR A0 N 90.23 -11.581669 -42.82069 11.733564 1 1105 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 91.02 -11.377127 -41.68007 12.609668 1 1106 +ATOM C C . THR A0 1 144 . 144 THR A0 C 91.8 -12.72489 -41.09412 13.016742 1 1107 +ATOM O O . THR A0 1 144 . 144 THR A0 O 90.62 -13.668377 -41.08454 12.221857 1 1108 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 88.67 -10.5409355 -40.610794 11.886393 1 1109 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 80.08 -9.256654 -41.155624 11.561811 1 1110 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 78.91 -10.355155 -39.377117 12.753167 1 1111 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 93.75 -12.797358 -40.640366 14.246923 1 1112 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 94.14 -14.005929 -39.99701 14.743965 1 1113 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 94.92 -13.687233 -38.53997 15.044996 1 1114 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 94.53 -12.574307 -38.20947 15.453522 1 1115 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 92.58 -14.5083885 -40.689056 16.010841 1 1116 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 96.09 -14.6548 -37.67293 14.808577 1 1117 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 96.48 -14.479896 -36.26015 15.110321 1 1118 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 96.48 -15.400256 -35.871475 16.260921 1 1119 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 96.09 -16.527071 -36.366165 16.366901 1 1120 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 95.7 -14.789229 -35.405632 13.880566 1 1121 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 97.27 -14.924841 -35.0097 17.124146 1 1122 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 97.27 -15.715564 -34.496468 18.226807 1 1123 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 97.66 -15.260805 -33.065403 18.491825 1 1124 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 97.27 -14.215019 -32.63249 17.99886 1 1125 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 96.88 -15.558898 -35.36483 19.48803 1 1126 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 96.09 -14.151103 -35.541393 20.051577 1 1127 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 94.14 -13.87821 -34.54264 21.164787 1 1128 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 93.75 -13.945505 -36.96299 20.5494 1 1129 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 98.05 -16.039904 -32.33439 19.26659 1 1130 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 98.05 -15.639718 -30.962187 19.53873 1 1131 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 98.05 -16.521149 -30.263 20.554241 1 1132 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 97.66 -17.313133 -30.894684 21.268986 1 1133 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 98.83 -16.33191 -28.95451 20.629198 1 1134 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 98.44 -17.101812 -28.100067 21.518536 1 1135 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 98.44 -17.567194 -26.874443 20.752249 1 1136 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 98.44 -16.788685 -26.268436 20.001574 1 1137 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 98.05 -16.257446 -27.658855 22.721481 1 1138 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 92.19 -16.072855 -28.89659 23.980614 1 1139 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 98.83 -18.836494 -26.517998 20.93913 1 1140 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 98.44 -19.401653 -25.31483 20.346962 1 1141 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 98.83 -19.404526 -24.252663 21.44128 1 1142 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 98.44 -20.057991 -24.42388 22.480318 1 1143 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 98.44 -20.83059 -25.582092 19.850704 1 1144 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 98.44 -21.618942 -24.380322 19.329329 1 1145 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 97.27 -23.051878 -24.80381 18.992733 1 1146 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 97.27 -20.939041 -23.77538 18.101467 1 1147 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 98.83 -18.646399 -23.188255 21.227177 1 1148 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 98.44 -18.515284 -22.106512 22.202164 1 1149 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 98.83 -19.377304 -20.961636 21.681007 1 1150 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 98.44 -18.977135 -20.214863 20.779984 1 1151 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 98.83 -17.039871 -21.68222 22.349697 1 1152 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 98.05 -16.88891 -20.638285 23.436691 1 1153 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 97.66 -16.172447 -22.9097 22.65443 1 1154 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 98.44 -20.574526 -20.844627 22.235119 1 1155 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 98.44 -21.590542 -19.978912 21.66024 1 1156 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 98.44 -22.009766 -18.787697 22.517822 1 1157 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 98.05 -22.016289 -18.861664 23.753399 1 1158 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 98.05 -22.829693 -20.809864 21.310461 1 1159 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 97.27 -23.797966 -20.131695 20.349276 1 1160 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 94.92 -24.929268 -21.069233 19.9723 1 1161 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 93.36 -25.794025 -20.505997 18.849064 1 1162 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 89.06 -26.332561 -19.170118 19.130375 1 1163 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 98.05 -22.33426 -17.714214 21.837547 1 1164 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 98.44 -22.943497 -16.516405 22.404806 1 1165 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 98.44 -22.09082 -15.825794 23.465603 1 1166 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 98.05 -22.49651 -15.682201 24.621838 1 1167 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 98.05 -24.337746 -16.835348 22.95826 1 1168 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 98.05 -25.312918 -17.268991 21.880722 1 1169 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 96.88 -25.11491 -16.887798 20.703213 1 1170 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 96.48 -26.285952 -17.98099 22.19588 1 1171 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 98.05 -20.921543 -15.3548565 23.058243 1 1172 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 98.05 -20.068447 -14.600754 23.966637 1 1173 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 98.05 -19.68858 -13.254029 23.356134 1 1174 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 97.66 -19.81988 -13.0341835 22.144073 1 1175 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 98.05 -18.80748 -15.402607 24.337336 1 1176 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 98.44 -17.863808 -15.64947 23.181316 1 1177 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 98.05 -17.970478 -16.803967 22.39909 1 1178 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 98.05 -16.840302 -14.755302 22.886196 1 1179 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 98.05 -17.0964 -17.046242 21.355232 1 1180 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 97.66 -15.956459 -14.990614 21.845947 1 1181 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 98.05 -16.088684 -16.138163 21.085144 1 1182 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 98.05 -15.224122 -16.373026 20.053226 1 1183 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 97.66 -19.246853 -12.362387 24.221642 1 1184 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 97.66 -18.798777 -11.037958 23.797089 1 1185 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 97.66 -17.948465 -10.436717 24.895752 1 1186 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 97.27 -18.292534 -10.552109 26.0716 1 1187 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 96.88 -19.993462 -10.119425 23.486229 1 1188 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 96.88 -19.571857 -8.781319 22.95423 1 1189 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 96.09 -19.360748 -7.7098637 23.81646 1 1190 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 96.09 -19.33797 -8.601723 21.603363 1 1191 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 95.31 -18.937576 -6.4842806 23.334658 1 1192 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 95.31 -18.91341 -7.3775063 21.120068 1 1193 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 95.7 -18.716393 -6.315222 21.98001 1 1194 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 95.31 -16.867233 -9.766123 24.539795 1 1195 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 96.09 -16.253143 -9.665756 23.209255 1 1196 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 96.09 -15.24675 -10.789093 22.981564 1 1197 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 96.09 -15.16632 -11.725018 23.787567 1 1198 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 94.92 -15.519541 -8.313812 23.300938 1 1199 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 93.36 -15.025307 -8.303318 24.715178 1 1200 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 94.53 -16.10942 -8.960945 25.534575 1 1201 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 94.92 -14.533747 -10.70356 21.898232 1 1202 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 94.14 -13.406476 -11.612626 21.666853 1 1203 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 93.75 -12.330519 -11.293068 22.691898 1 1204 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 92.19 -12.279094 -10.160381 23.2092 1 1205 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 92.19 -12.854649 -11.385281 20.251081 1 1206 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 87.89 -13.730343 -11.949988 19.14661 1 1207 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 88.67 -13.197069 -13.267436 18.626268 1 1208 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 84.77 -13.169318 -14.246061 19.393923 1 1209 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 84.77 -12.78746 -13.311863 17.441074 1 1210 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 94.14 -11.463369 -12.196459 23.029747 1 1211 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 93.75 -11.33616 -13.55957 22.50875 1 1212 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 94.92 -11.729896 -14.6164255 23.530016 1 1213 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 94.14 -11.957638 -14.304104 24.701778 1 1214 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 91.8 -9.826956 -13.673737 22.233349 1 1215 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 89.06 -9.225565 -12.933403 23.403612 1 1216 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 90.23 -10.191259 -11.806051 23.728287 1 1217 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 97.27 -11.808495 -15.8462715 23.054092 1 1218 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 97.66 -11.902958 -17.01164 23.93069 1 1219 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 97.27 -10.723992 -17.901566 23.560274 1 1220 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 96.88 -10.217775 -17.844725 22.431423 1 1221 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 96.48 -13.209885 -17.820967 23.764091 1 1222 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 92.58 -14.411997 -17.026348 24.225119 1 1223 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 92.19 -13.371805 -18.311697 22.33903 1 1224 +ATOM N N . THR A0 1 160 . 160 THR A0 N 98.05 -10.259901 -18.682922 24.516823 1 1225 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 97.66 -9.201418 -19.64473 24.248678 1 1226 +ATOM C C . THR A0 1 160 . 160 THR A0 C 98.05 -9.761869 -21.030582 24.536358 1 1227 +ATOM O O . THR A0 1 160 . 160 THR A0 O 97.27 -10.580622 -21.196735 25.45171 1 1228 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 96.88 -7.953728 -19.406439 25.12235 1 1229 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 89.45 -8.308783 -19.464218 26.503765 1 1230 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 87.89 -7.332231 -18.05459 24.809671 1 1231 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 98.44 -9.369011 -21.997843 23.722086 1 1232 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 98.44 -9.830631 -23.371891 23.898502 1 1233 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 98.44 -8.626759 -24.310976 23.867184 1 1234 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 98.05 -7.7777557 -24.20905 22.983763 1 1235 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 98.44 -10.821828 -23.793905 22.78954 1 1236 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 97.27 -11.333046 -25.212301 23.043337 1 1237 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 96.88 -11.990694 -22.816288 22.70099 1 1238 +ATOM N N . SER A0 1 162 . 162 SER A0 N 98.83 -8.573688 -25.189396 24.841908 1 1239 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 98.83 -7.566232 -26.2418 24.86026 1 1240 +ATOM C C . SER A0 1 162 . 162 SER A0 C 98.83 -8.294156 -27.562515 25.061075 1 1241 +ATOM O O . SER A0 1 162 . 162 SER A0 O 98.44 -9.482754 -27.576084 25.40218 1 1242 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 98.05 -6.5345073 -26.019432 25.97979 1 1243 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 96.88 -7.142234 -26.103153 27.254791 1 1244 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 98.83 -7.589364 -28.650822 24.851278 1 1245 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 98.44 -8.170589 -29.968948 25.028849 1 1246 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 98.44 -7.343377 -30.765636 26.031296 1 1247 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 98.44 -6.1152167 -30.80434 25.940561 1 1248 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 98.83 -8.269517 -30.704006 23.681408 1 1249 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 98.44 -9.390572 -30.191582 22.832666 1 1250 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 98.44 -9.345653 -29.159695 21.950577 1 1251 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 98.44 -10.740857 -30.671894 22.8298 1 1252 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 98.44 -10.5883045 -28.956953 21.394278 1 1253 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 98.44 -11.453279 -29.874416 21.912914 1 1254 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 98.44 -11.410946 -31.699932 23.512257 1 1255 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 98.44 -12.81401 -30.072496 21.65852 1 1256 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 98.05 -12.755817 -31.895828 23.257093 1 1257 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 98.44 -13.44594 -31.09657 22.344063 1 1258 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 98.44 -8.038534 -31.374638 26.969002 1 1259 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 98.44 -7.411524 -32.158203 28.031277 1 1260 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 98.05 -6.273065 -31.3635 28.681019 1 1261 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 97.27 -5.162511 -31.860668 28.876106 1 1262 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 98.05 -6.909527 -33.494675 27.48479 1 1263 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 98.05 -8.049667 -34.41815 27.105404 1 1264 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 96.09 -9.218213 -34.123604 27.363983 1 1265 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 95.7 -7.741507 -35.54011 26.46938 1 1266 +ATOM N N . SER A0 1 165 . 165 SER A0 N 98.05 -6.593311 -30.079754 28.993996 1 1267 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 97.66 -5.6626368 -29.168915 29.65836 1 1268 +ATOM C C . SER A0 1 165 . 165 SER A0 C 98.05 -4.3465586 -29.020763 28.89808 1 1269 +ATOM O O . SER A0 1 165 . 165 SER A0 O 97.27 -3.2935128 -28.830643 29.50452 1 1270 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 97.27 -5.401684 -29.615227 31.098541 1 1271 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 92.58 -6.6188483 -29.663692 31.83671 1 1272 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 97.66 -4.4273987 -29.102648 27.574268 1 1273 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 97.66 -3.2552102 -28.919582 26.737907 1 1274 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 98.05 -2.5348792 -30.193851 26.361855 1 1275 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 97.27 -1.5959162 -30.15126 25.566753 1 1276 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 97.66 -2.9590406 -31.294933 26.902685 1 1277 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 97.66 -2.3036063 -32.573025 26.611412 1 1278 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 98.05 -2.6497748 -33.09133 25.216007 1 1279 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 97.27 -1.9144893 -33.904877 24.659359 1 1280 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 97.66 -2.6801744 -33.61313 27.658182 1 1281 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 98.05 -3.784188 -32.627766 24.679989 1 1282 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 98.05 -4.20455 -33.06183 23.35186 1 1283 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 98.05 -4.127606 -31.87445 22.394598 1 1284 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 97.27 -4.8679395 -30.902378 22.54058 1 1285 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 97.66 -5.638617 -33.60803 23.406982 1 1286 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 96.88 -6.2825675 -34.043163 22.08447 1 1287 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 95.7 -7.685442 -34.584084 22.343647 1 1288 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 95.7 -5.431484 -35.054306 21.342508 1 1289 +ATOM N N . THR A0 1 169 . 169 THR A0 N 97.66 -3.2277894 -31.947674 21.4402 1 1290 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 97.27 -3.0592296 -30.884148 20.46341 1 1291 +ATOM C C . THR A0 1 169 . 169 THR A0 C 97.27 -3.1018107 -31.405418 19.035053 1 1292 +ATOM O O . THR A0 1 169 . 169 THR A0 O 96.48 -3.5143027 -30.672602 18.131878 1 1293 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 96.88 -1.7390065 -30.114326 20.680761 1 1294 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 91.8 -0.64259803 -31.02118 20.576544 1 1295 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 90.23 -1.7146919 -29.447643 22.052849 1 1296 +ATOM N N . SER A0 1 170 . 170 SER A0 N 96.48 -2.7035222 -32.630646 18.830406 1 1297 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 96.09 -2.688218 -33.21309 17.492153 1 1298 +ATOM C C . SER A0 1 170 . 170 SER A0 C 96.88 -4.1184607 -33.40884 16.984428 1 1299 +ATOM O O . SER A0 1 170 . 170 SER A0 O 96.48 -4.9589787 -33.966427 17.690243 1 1300 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 94.92 -1.950821 -34.54839 17.510235 1 1301 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 83.2 -1.9124107 -35.120323 16.211578 1 1302 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 96.88 -4.385194 -32.927525 15.785452 1 1303 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 96.88 -5.6934423 -33.06494 15.180257 1 1304 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 97.27 -6.7066665 -32.03057 15.6140175 1 1305 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 96.88 -7.869565 -32.10797 15.209307 1 1306 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 98.05 -6.280912 -31.062668 16.424297 1 1307 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 98.05 -7.184924 -30.028137 16.911901 1 1308 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 98.05 -7.2926216 -28.87111 15.919125 1 1309 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 97.66 -6.282657 -28.418541 15.370794 1 1310 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 98.44 -6.7194767 -29.482712 18.282051 1 1311 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 97.66 -7.55478 -28.26824 18.695219 1 1312 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 97.66 -6.8111672 -30.572681 19.342834 1 1313 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 98.44 -8.512243 -28.400906 15.702833 1 1314 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 98.05 -8.756886 -27.205853 14.9085655 1 1315 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 98.44 -9.717348 -26.313713 15.687223 1 1316 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 98.44 -10.870253 -26.70781 15.925119 1 1317 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 98.05 -9.384006 -27.53971 13.542215 1 1318 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 97.66 -8.479101 -28.279604 12.622122 1 1319 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 89.84 -7.263238 -27.768291 12.196251 1 1320 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 88.67 -8.609791 -29.481153 12.039442 1 1321 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 91.8 -6.6884933 -28.640747 11.395731 1 1322 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 93.75 -7.47859 -29.691198 11.279476 1 1323 +ATOM N N . THR A0 1 174 . 174 THR A0 N 98.05 -9.246107 -25.159561 16.082802 1 1324 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 98.05 -10.119061 -24.190268 16.737698 1 1325 +ATOM C C . THR A0 1 174 . 174 THR A0 C 98.05 -10.372634 -23.084877 15.711126 1 1326 +ATOM O O . THR A0 1 174 . 174 THR A0 O 98.05 -9.4483595 -22.368626 15.319466 1 1327 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 98.05 -9.478997 -23.627995 18.018745 1 1328 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 97.66 -9.317056 -24.711178 18.956589 1 1329 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 97.66 -10.371197 -22.562248 18.644094 1 1330 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 98.44 -11.606886 -22.987995 15.273151 1 1331 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 98.44 -11.962046 -22.075762 14.191163 1 1332 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 98.44 -12.057123 -20.617561 14.628966 1 1333 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 98.05 -12.363863 -20.326069 15.787844 1 1334 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 98.44 -13.297367 -22.498287 13.567823 1 1335 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 98.83 -13.217798 -23.800571 12.835894 1 1336 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 98.44 -13.4687805 -24.99935 13.4869795 1 1337 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 98.44 -12.863722 -23.823957 11.498262 1 1338 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 98.05 -13.359154 -26.205627 12.8160515 1 1339 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 98.05 -12.7570095 -25.02435 10.818353 1 1340 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 98.44 -13.007511 -26.218418 11.479129 1 1341 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 96.88 -11.772491 -19.695217 13.685641 1 1342 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 96.48 -11.955228 -18.273167 13.994858 1 1343 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 97.27 -13.420776 -18.033794 14.353527 1 1344 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 97.27 -14.323251 -18.65945 13.785194 1 1345 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 95.7 -11.584623 -17.57507 12.677262 1 1346 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 94.14 -10.658769 -18.54168 11.990058 1 1347 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 96.09 -11.222931 -19.89407 12.337915 1 1348 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 96.48 -13.645327 -17.143993 15.300158 1 1349 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 96.48 -15.006782 -16.837944 15.720219 1 1350 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 96.48 -15.771206 -16.124493 14.61009 1 1351 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 95.7 -15.178776 -15.438549 13.776745 1 1352 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 96.09 -14.986523 -15.969593 16.97446 1 1353 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 97.27 -17.080286 -16.2922 14.604691 1 1354 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 96.88 -17.943613 -15.584394 13.670044 1 1355 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 97.27 -18.893406 -14.7157135 14.487177 1 1356 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 96.88 -19.294952 -15.086271 15.597752 1 1357 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 96.48 -18.75704 -16.539768 12.759512 1 1358 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 92.97 -17.811897 -17.351799 11.871504 1 1359 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 92.97 -19.656498 -17.448904 13.578165 1 1360 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 95.7 -19.21636 -13.5434475 13.945404 1 1361 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 95.31 -20.136555 -12.636414 14.61775 1 1362 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 95.31 -21.553936 -12.957411 14.1451645 1 1363 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 94.92 -21.859848 -12.847994 12.954485 1 1364 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 94.14 -19.79593 -11.178639 14.296299 1 1365 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 91.02 -20.653517 -10.118357 14.9871645 1 1366 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 88.28 -20.2767 -8.729496 14.48297 1 1367 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 88.28 -20.476583 -10.200822 16.506699 1 1368 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 97.27 -22.397003 -13.352285 15.069048 1 1369 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 97.27 -23.776592 -13.715927 14.751696 1 1370 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 96.48 -24.649792 -12.465689 14.655486 1 1371 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 96.09 -24.268196 -11.380156 15.090807 1 1372 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 97.27 -24.325981 -14.657135 15.823845 1 1373 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 96.88 -23.523064 -15.927639 15.983773 1 1374 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 96.88 -23.913992 -16.715717 17.211086 1 1375 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 92.19 -24.59375 -17.731472 17.106941 1 1376 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 91.41 -23.516068 -16.231506 18.381968 1 1377 +ATOM N N . SER A0 1 181 . 181 SER A0 N 95.7 -25.82692 -12.623164 14.049804 1 1378 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 94.53 -26.749409 -11.502577 13.893711 1 1379 +ATOM C C . SER A0 1 181 . 181 SER A0 C 95.31 -27.167774 -10.914332 15.235121 1 1380 +ATOM O O . SER A0 1 181 . 181 SER A0 O 93.75 -27.588501 -9.75816 15.304255 1 1381 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 92.58 -27.9897 -11.944784 13.102886 1 1382 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 85.16 -28.671488 -12.981798 13.767342 1 1383 +ATOM N N . SER A0 1 182 . 182 SER A0 N 96.09 -27.032856 -11.696281 16.28828 1 1384 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 95.7 -27.3624 -11.248803 17.638376 1 1385 +ATOM C C . SER A0 1 182 . 182 SER A0 C 95.7 -26.334606 -10.269799 18.186447 1 1386 +ATOM O O . SER A0 1 182 . 182 SER A0 O 94.92 -26.587189 -9.599022 19.19018 1 1387 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 95.31 -27.454962 -12.452572 18.580221 1 1388 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 93.75 -26.205833 -13.102438 18.672424 1 1389 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 95.31 -25.180431 -10.188274 17.527193 1 1390 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 95.31 -24.099285 -9.338692 18.011782 1 1391 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 96.48 -23.136587 -10.079119 18.90865 1 1392 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 95.7 -22.180267 -9.487066 19.417793 1 1393 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 97.27 -23.398039 -11.370201 19.111462 1 1394 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 97.27 -22.537436 -12.206787 19.934902 1 1395 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 97.66 -21.698738 -13.119669 19.042881 1 1396 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 97.27 -22.086346 -13.423569 17.914003 1 1397 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 97.27 -23.377686 -13.048876 20.900806 1 1398 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 97.27 -24.316584 -12.2715845 21.833729 1 1399 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 95.7 -25.218288 -13.231277 22.60405 1 1400 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 96.09 -23.520212 -11.392855 22.790775 1 1401 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 97.66 -20.551987 -13.542238 19.562313 1 1402 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 97.66 -19.6581 -14.405825 18.803448 1 1403 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 97.66 -19.914213 -15.879205 19.085175 1 1404 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 98.05 -20.493393 -16.237179 20.104694 1 1405 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 97.27 -18.194887 -14.088001 19.141766 1 1406 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 96.88 -17.736382 -12.734056 18.667948 1 1407 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 96.09 -17.742931 -11.638949 19.52338 1 1408 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 95.7 -17.276783 -12.552603 17.376583 1 1409 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 95.31 -17.313152 -10.39209 19.095064 1 1410 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 94.92 -16.845955 -11.309904 16.93942 1 1411 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 94.92 -16.861725 -10.234494 17.80617 1 1412 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 93.36 -16.434875 -9.007277 17.378582 1 1413 +ATOM N N . SER A0 1 186 . 186 SER A0 N 98.44 -19.465704 -16.700947 18.157486 1 1414 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 98.05 -19.572708 -18.147316 18.306282 1 1415 +ATOM C C . SER A0 1 186 . 186 SER A0 C 98.44 -18.404528 -18.792486 17.571592 1 1416 +ATOM O O . SER A0 1 186 . 186 SER A0 O 98.05 -17.993727 -18.315453 16.511124 1 1417 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 98.44 -20.89534 -18.655853 17.730154 1 1418 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 96.88 -21.015013 -20.06997 17.848156 1 1419 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 98.44 -17.877089 -19.862791 18.131897 1 1420 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 98.44 -16.839846 -20.625355 17.448559 1 1421 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 98.44 -16.935762 -22.086308 17.859188 1 1422 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 98.44 -17.590523 -22.42339 18.84452 1 1423 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 98.05 -15.441172 -20.074863 17.731022 1 1424 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 97.66 -14.788723 -20.18536 19.105402 1 1425 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 96.48 -13.571469 -19.256927 19.148869 1 1426 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 96.09 -14.338314 -21.614952 19.455471 1 1427 +ATOM N N . SER A0 1 188 . 188 SER A0 N 98.83 -16.300575 -22.928688 17.083054 1 1428 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 98.83 -16.226261 -24.34897 17.411356 1 1429 +ATOM C C . SER A0 1 188 . 188 SER A0 C 98.44 -14.766708 -24.777958 17.437973 1 1430 +ATOM O O . SER A0 1 188 . 188 SER A0 O 98.44 -13.931578 -24.221638 16.7213 1 1431 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 98.05 -16.982763 -25.201225 16.390745 1 1432 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 81.64 -18.377953 -25.14684 16.607033 1 1433 +ATOM N N . SER A0 1 189 . 189 SER A0 N 98.83 -14.477913 -25.728039 18.294596 1 1434 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 98.44 -13.151918 -26.33585 18.355663 1 1435 +ATOM C C . SER A0 1 189 . 189 SER A0 C 98.44 -13.387981 -27.82793 18.176878 1 1436 +ATOM O O . SER A0 1 189 . 189 SER A0 O 98.44 -14.230359 -28.407625 18.87653 1 1437 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 98.83 -12.471444 -26.053947 19.690868 1 1438 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 98.05 -11.17555 -26.654575 19.73612 1 1439 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 98.44 -12.680496 -28.410175 17.231888 1 1440 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 98.44 -12.867891 -29.838543 16.964457 1 1441 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 98.44 -11.532824 -30.577667 17.036905 1 1442 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 98.05 -10.467844 -29.965343 16.976513 1 1443 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 98.05 -13.504682 -30.088882 15.575557 1 1444 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 95.31 -14.867975 -29.413132 15.482674 1 1445 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 94.92 -12.582623 -29.600555 14.469119 1 1446 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 97.66 -11.638313 -31.89948 17.19431 1 1447 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 97.66 -10.442295 -32.734818 17.208614 1 1448 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 97.66 -10.8151 -34.090034 16.613922 1 1449 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 97.66 -11.933039 -34.580936 16.829887 1 1450 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 97.66 -9.868179 -32.892033 18.64346 1 1451 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 96.09 -8.561554 -33.692642 18.6185 1 1452 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 94.92 -10.877375 -33.53096 19.585861 1 1453 +ATOM N N . THR A0 1 192 . 192 THR A0 N 96.48 -9.90085 -34.655495 15.828193 1 1454 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 96.09 -10.130671 -35.986675 15.277171 1 1455 +ATOM C C . THR A0 1 192 . 192 THR A0 C 96.48 -9.304587 -36.97689 16.101921 1 1456 +ATOM O O . THR A0 1 192 . 192 THR A0 O 95.7 -8.146664 -36.703484 16.442955 1 1457 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 95.31 -9.72872 -36.076256 13.789131 1 1458 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 91.02 -8.423317 -35.5365 13.614757 1 1459 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 90.62 -10.726576 -35.31202 12.922052 1 1460 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 95.7 -9.926469 -38.109406 16.434904 1 1461 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 95.31 -9.301987 -39.127106 17.275543 1 1462 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 94.92 -9.60151 -40.511013 16.707596 1 1463 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 94.14 -10.505922 -40.67028 15.886275 1 1464 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 95.31 -9.822411 -39.047256 18.732887 1 1465 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 94.14 -9.52435 -37.67531 19.34774 1 1466 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 93.75 -11.32173 -39.33271 18.769817 1 1467 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 94.53 -8.828447 -41.523643 17.14341 1 1468 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 94.14 -9.142256 -42.877335 16.687273 1 1469 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 94.14 -10.529501 -43.28437 17.191154 1 1470 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 93.75 -10.863721 -43.035946 18.351067 1 1471 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 93.36 -8.042171 -43.735023 17.31953 1 1472 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 91.8 -6.9173923 -42.78121 17.593725 1 1473 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 93.36 -7.605626 -41.50381 17.963669 1 1474 +ATOM N N . SER A0 1 195 . 195 SER A0 N 92.58 -11.31595 -43.900974 16.322056 1 1475 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 91.8 -12.655101 -44.34643 16.725117 1 1476 +ATOM C C . SER A0 1 195 . 195 SER A0 C 92.58 -12.575603 -45.332706 17.89027 1 1477 +ATOM O O . SER A0 1 195 . 195 SER A0 O 91.41 -13.477892 -45.391727 18.727142 1 1478 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 91.02 -13.368757 -44.99946 15.545258 1 1479 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 81.64 -13.5746355 -44.07449 14.496843 1 1480 +ATOM N N . SER A0 1 196 . 196 SER A0 N 91.8 -11.484739 -46.088196 17.958492 1 1481 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 91.02 -11.30022 -47.079147 19.016575 1 1482 +ATOM C C . SER A0 1 196 . 196 SER A0 C 91.02 -11.101409 -46.4537 20.392195 1 1483 +ATOM O O . SER A0 1 196 . 196 SER A0 O 89.06 -11.231424 -47.140404 21.408539 1 1484 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 90.62 -10.107371 -47.98164 18.686817 1 1485 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 84.77 -8.914745 -47.228462 18.574362 1 1486 +ATOM N N . SER A0 1 197 . 197 SER A0 N 92.19 -10.784483 -45.16003 20.434233 1 1487 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 92.19 -10.561643 -44.48929 21.707394 1 1488 +ATOM C C . SER A0 1 197 . 197 SER A0 C 92.97 -11.8598175 -44.017666 22.35215 1 1489 +ATOM O O . SER A0 1 197 . 197 SER A0 O 91.41 -11.86665 -43.68479 23.541649 1 1490 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 90.62 -9.621214 -43.301865 21.522377 1 1491 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 85.16 -10.255991 -42.247707 20.820644 1 1492 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 91.8 -12.9432955 -43.996284 21.586403 1 1493 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 91.41 -14.223156 -43.557274 22.123976 1 1494 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 91.41 -14.69778 -44.53396 23.206936 1 1495 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 89.84 -14.766014 -45.74225 22.974949 1 1496 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 91.41 -15.275096 -43.454334 21.01186 1 1497 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 91.02 -14.986448 -42.4366 19.905602 1 1498 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 89.06 -16.085567 -42.482967 18.8572 1 1499 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 88.28 -14.817627 -41.043743 20.46025 1 1500 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 91.02 -15.018003 -44.042683 24.359709 1 1501 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 89.84 -15.45334 -44.86091 25.466486 1 1502 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 90.23 -14.335608 -45.272514 26.405762 1 1503 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 87.5 -14.598095 -45.70455 27.530157 1 1504 +ATOM N N . THR A0 1 200 . 200 THR A0 N 92.19 -13.08597 -45.1193 25.954529 1 1505 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 92.58 -11.948728 -45.470222 26.794022 1 1506 +ATOM C C . THR A0 1 200 . 200 THR A0 C 93.36 -11.115248 -44.243908 27.158504 1 1507 +ATOM O O . THR A0 1 200 . 200 THR A0 O 92.19 -10.483916 -44.213036 28.209549 1 1508 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 90.23 -11.042749 -46.509773 26.114944 1 1509 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 84.77 -10.593433 -46.00169 24.862175 1 1510 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 82.03 -11.808896 -47.810303 25.878971 1 1511 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 95.31 -11.096938 -43.273056 26.295486 1 1512 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 95.7 -10.349358 -42.037663 26.526001 1 1513 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 96.09 -11.329105 -40.900616 26.79662 1 1514 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 95.31 -12.328904 -40.758125 26.083942 1 1515 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 94.92 -9.481474 -41.70406 25.3046 1 1516 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 91.02 -8.738948 -40.38242 25.39898 1 1517 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 89.06 -7.676418 -40.37269 26.480932 1 1518 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 81.25 -6.8247547 -41.247406 26.515926 1 1519 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 80.08 -7.7389574 -39.39809 27.384888 1 1520 +ATOM N N . THR A0 1 202 . 202 THR A0 N 96.48 -11.02305 -40.090187 27.798805 1 1521 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 96.48 -11.863602 -38.948162 28.130125 1 1522 +ATOM C C . THR A0 1 202 . 202 THR A0 C 97.27 -11.39707 -37.718845 27.366806 1 1523 +ATOM O O . THR A0 1 202 . 202 THR A0 O 96.48 -10.201964 -37.422295 27.319977 1 1524 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 95.31 -11.828543 -38.661854 29.639957 1 1525 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 87.5 -12.361984 -39.78968 30.347534 1 1526 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 85.55 -12.639072 -37.419205 29.987644 1 1527 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 98.05 -12.337872 -36.994534 26.771948 1 1528 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 97.66 -12.0338745 -35.783173 26.031498 1 1529 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 98.05 -12.764769 -34.603256 26.662151 1 1530 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 97.66 -13.994282 -34.609665 26.764542 1 1531 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 97.27 -12.4206505 -35.93587 24.553802 1 1532 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 97.66 -11.608723 -37.00187 23.853615 1 1533 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 96.48 -12.166111 -38.235847 23.526653 1 1534 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 96.88 -10.272652 -36.773415 23.534954 1 1535 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 96.09 -11.411165 -39.21785 22.902859 1 1536 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 96.48 -9.513554 -37.751842 22.911676 1 1537 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 96.88 -10.084251 -38.97228 22.598316 1 1538 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 96.09 -9.34529 -39.93592 21.983501 1 1539 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 98.05 -11.994921 -33.595444 27.089754 1 1540 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 98.44 -12.536261 -32.417816 27.74299 1 1541 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 98.44 -12.013456 -31.160358 27.057678 1 1542 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 98.44 -10.807178 -31.005253 26.880466 1 1543 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 98.05 -12.155428 -32.38029 29.236816 1 1544 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 92.97 -12.712145 -33.61102 29.965822 1 1545 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 92.58 -12.667576 -31.090948 29.89056 1 1546 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 87.89 -12.210737 -33.7621 31.39684 1 1547 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 98.83 -12.940361 -30.254608 26.64877 1 1548 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 98.83 -12.50207 -28.977516 26.095428 1 1549 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 98.44 -12.5033245 -27.966316 27.232998 1 1550 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 98.44 -13.438908 -27.916574 28.042023 1 1551 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 98.44 -13.381188 -28.509598 24.937054 1 1552 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 97.27 -15.062107 -28.058369 25.353771 1 1553 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 98.83 -11.408917 -27.183723 27.3162 1 1554 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 98.44 -11.233174 -26.186085 28.362835 1 1555 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 98.83 -11.389912 -24.814934 27.718834 1 1556 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 98.44 -10.55126 -24.410275 26.900991 1 1557 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 98.44 -9.847979 -26.312716 29.01415 1 1558 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 98.05 -9.444502 -27.75541 29.2131 1 1559 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 93.75 -8.570306 -28.262297 28.483635 1 1560 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 94.14 -10.052029 -28.43325 30.162132 1 1561 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 98.83 -12.465113 -24.129475 28.074953 1 1562 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 98.83 -12.785106 -22.843452 27.477196 1 1563 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 98.83 -12.5714245 -21.717503 28.485962 1 1564 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 98.44 -13.044407 -21.795605 29.624945 1 1565 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 98.44 -14.247618 -22.82135 26.965256 1 1566 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 97.66 -14.591011 -21.467888 26.36397 1 1567 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 97.27 -14.46586 -23.932152 25.948025 1 1568 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 98.05 -11.865843 -20.665724 28.048508 1 1569 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 98.05 -11.599323 -19.518631 28.909101 1 1570 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 98.05 -11.991979 -18.23397 28.19048 1 1571 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 98.05 -11.526517 -17.970818 27.07793 1 1572 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 97.66 -10.117796 -19.480057 29.296095 1 1573 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 92.97 -9.823342 -18.444433 30.362022 1 1574 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 83.59 -10.729487 -17.914698 31.003408 1 1575 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 82.03 -8.551827 -18.163195 30.579273 1 1576 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 97.66 -12.854811 -17.45092 28.8261 1 1577 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 97.66 -13.274092 -16.151459 28.308964 1 1578 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 97.66 -12.955141 -15.121807 29.389942 1 1579 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 96.88 -13.753607 -14.897461 30.308304 1 1580 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 97.66 -14.770987 -16.138128 27.974813 1 1581 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 98.05 -15.235361 -14.850454 27.362797 1 1582 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 94.92 -16.255142 -14.094224 27.903334 1 1583 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 95.31 -14.829958 -14.196415 26.256727 1 1584 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 95.7 -16.441433 -13.027281 27.148956 1 1585 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 95.7 -15.595684 -13.059446 26.140673 1 1586 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 95.7 -11.785513 -14.544422 29.284512 1 1587 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 94.92 -11.29947 -13.619675 30.301556 1 1588 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 94.92 -12.164549 -12.380545 30.494019 1 1589 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 93.75 -12.332553 -11.9411335 31.637291 1 1590 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 93.36 -9.847447 -13.222573 30.00533 1 1591 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 85.55 -8.866835 -14.3631115 30.186214 1 1592 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 80.86 -7.4254837 -13.89147 29.984358 1 1593 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 72.27 -6.4522896 -15.04697 30.197329 1 1594 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 63.67 -5.049953 -14.60627 30.00665 1 1595 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 94.92 -12.730593 -11.767391 29.416473 1 1596 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 94.14 -13.551559 -10.568018 29.625814 1 1597 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 94.14 -14.714867 -10.776247 30.59317 1 1598 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 93.36 -15.128395 -9.825968 31.260036 1 1599 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 92.97 -14.045011 -10.2246685 28.213718 1 1600 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 91.8 -12.96081 -10.739838 27.322304 1 1601 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 94.14 -12.5306225 -12.034843 27.974201 1 1602 +ATOM N N . SER A0 1 212 . 212 SER A0 N 96.48 -15.255535 -11.992435 30.673439 1 1603 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 96.88 -16.3573 -12.285738 31.583733 1 1604 +ATOM C C . SER A0 1 212 . 212 SER A0 C 96.48 -15.914099 -13.13624 32.76373 1 1605 +ATOM O O . SER A0 1 212 . 212 SER A0 O 95.7 -16.7411 -13.545513 33.574947 1 1606 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 96.48 -17.497072 -13.000442 30.841076 1 1607 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 95.31 -17.09902 -14.295645 30.417305 1 1608 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 97.27 -14.616381 -13.388306 32.839146 1 1609 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 96.88 -14.050901 -14.234922 33.90172 1 1610 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 97.27 -14.765242 -15.585509 33.94304 1 1611 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 96.09 -15.149606 -16.068752 35.01507 1 1612 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 96.09 -14.147188 -13.529395 35.254158 1 1613 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 90.62 -13.27902 -14.184604 36.310055 1 1614 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 81.64 -12.245306 -14.769917 35.990284 1 1615 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 80.86 -13.684202 -14.067772 37.56847 1 1616 +ATOM N N . THR A0 1 214 . 214 THR A0 N 97.66 -14.956853 -16.181025 32.762985 1 1617 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 97.27 -15.656081 -17.454416 32.63819 1 1618 +ATOM C C . THR A0 1 214 . 214 THR A0 C 98.05 -14.706671 -18.562267 32.199158 1 1619 +ATOM O O . THR A0 1 214 . 214 THR A0 O 97.27 -13.992226 -18.413532 31.211102 1 1620 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 96.88 -16.808222 -17.353537 31.62173 1 1621 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 94.14 -17.71641 -16.326595 32.02087 1 1622 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 92.97 -17.552711 -18.673277 31.49617 1 1623 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 98.05 -14.716158 -19.632917 32.95404 1 1624 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 98.05 -13.9618435 -20.836554 32.60913 1 1625 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 98.05 -14.923691 -22.011284 32.616867 1 1626 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 97.27 -15.691034 -22.17128 33.573895 1 1627 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 97.27 -12.824223 -21.1005 33.601196 1 1628 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 88.67 -11.647518 -20.159958 33.454494 1 1629 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 84.38 -10.50792 -20.599995 34.37059 1 1630 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 75.78 -9.307232 -19.679394 34.229893 1 1631 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 67.97 -8.196542 -20.108315 35.110344 1 1632 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 98.05 -14.890617 -22.790218 31.55256 1 1633 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 98.05 -15.777941 -23.946308 31.447151 1 1634 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 98.44 -14.981567 -25.151722 30.96259 1 1635 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 98.44 -14.205326 -25.044664 30.010891 1 1636 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 97.66 -16.947437 -23.685146 30.467278 1 1637 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 96.09 -17.820305 -24.938702 30.316551 1 1638 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 96.09 -17.783539 -22.50263 30.922441 1 1639 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 98.44 -15.169945 -26.26458 31.624748 1 1640 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 98.05 -14.5982895 -27.532488 31.19514 1 1641 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 98.05 -15.768051 -28.4189 30.796215 1 1642 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 97.66 -16.637009 -28.702877 31.624493 1 1643 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 98.05 -13.795096 -28.20116 32.32125 1 1644 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 96.88 -12.556639 -27.4085 32.68743 1 1645 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 94.14 -12.212841 -27.36626 33.883152 1 1646 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 94.53 -11.921276 -26.832901 31.772985 1 1647 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 98.05 -15.810644 -28.808832 29.543945 1 1648 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 98.05 -16.917927 -29.605846 29.052061 1 1649 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 98.05 -16.434923 -30.95223 28.553497 1 1650 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 98.05 -15.614677 -31.031769 27.635406 1 1651 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 97.66 -17.635147 -28.870918 27.911015 1 1652 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 93.75 -18.802235 -29.63266 27.300753 1 1653 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 90.62 -19.951159 -29.843616 28.288736 1 1654 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 85.94 -20.595589 -28.539967 28.734343 1 1655 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 80.47 -21.773727 -28.782639 29.58252 1 1656 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 98.05 -16.969177 -32.00467 29.16362 1 1657 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 98.05 -16.62936 -33.35704 28.74096 1 1658 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 97.66 -17.45314 -33.6987 27.509663 1 1659 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 97.27 -18.657177 -33.44178 27.473003 1 1660 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 97.27 -16.918911 -34.364212 29.855368 1 1661 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 87.5 -16.50834 -35.790062 29.499592 1 1662 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 83.2 -16.773453 -36.726837 30.651142 1 1663 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 74.22 -16.407318 -38.10212 30.313908 1 1664 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 67.19 -16.832088 -39.16028 30.938559 1 1665 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 60.16 -17.68432 -39.02896 31.947243 1 1666 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 60.55 -16.448486 -40.369656 30.570515 1 1667 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 97.27 -16.798018 -34.227516 26.500217 1 1668 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 96.88 -17.487083 -34.595306 25.270123 1 1669 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 96.48 -17.518127 -36.110558 25.139225 1 1670 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 95.7 -16.47084 -36.745377 25.05925 1 1671 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 97.27 -16.788317 -33.957 24.047886 1 1672 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 96.09 -16.67813 -32.42727 24.200237 1 1673 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 96.09 -17.605362 -34.203133 22.776512 1 1674 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 94.53 -18.728975 -36.67001 25.130316 1 1675 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 93.75 -18.90099 -38.111614 25.025597 1 1676 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 93.75 -20.002163 -38.434822 24.025059 1 1677 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 91.41 -20.81894 -37.565495 23.691967 1 1678 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 91.02 -19.215088 -38.72062 26.402231 1 1679 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 82.03 -20.391125 -38.08681 27.106602 1 1680 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 81.25 -20.526644 -38.551727 28.540728 1 1681 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 75.39 -19.754993 -39.43476 28.968475 1 1682 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 74.22 -21.406748 -38.04107 29.252888 1 1683 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 88.67 -20.05001 -39.669792 23.514042 1 1684 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 87.11 -21.012709 -40.053833 22.472689 1 1685 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 85.94 -22.459839 -39.682316 22.78489 1 1686 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 80.86 -23.167027 -39.200714 21.908485 1 1687 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 85.16 -20.814594 -41.576313 22.362162 1 1688 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 82.81 -19.374166 -41.773315 22.685444 1 1689 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 85.94 -19.103619 -40.770042 23.780231 1 1690 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 74.22 -22.898762 -39.910202 23.94941 1 1691 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 71.88 -24.25318 -39.57187 24.391209 1 1692 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 70.7 -24.463478 -40.03633 25.824116 1 1693 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 63.67 -23.974771 -41.11406 26.183672 1 1694 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 66.41 -25.304968 -40.20833 23.448555 1 1695 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 60.16 -26.765554 -39.95179 23.883923 1 1696 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 55.08 -27.164139 -38.461983 23.738697 1 1697 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 50.78 -28.630379 -38.285965 24.11885 1 1698 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 47.27 -29.069778 -36.87879 24.050144 1 1699 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 48.63 -25.296555 -39.534843 26.630844 1 1700 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 83.2 -5.4940205 5.355785 -8.035983 1 1701 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 91.41 -5.85858 4.0091815 -7.637798 1 1702 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 95.31 -4.800994 3.006806 -8.07848 1 1703 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 93.75 -4.0958743 3.2251835 -9.064695 1 1704 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 83.98 -7.215516 3.6212513 -8.218041 1 1705 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 72.66 -8.377262 4.4369335 -7.6673355 1 1706 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 67.97 -9.711417 3.9936423 -8.222792 1 1707 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 60.16 -9.803816 3.6191287 -9.389797 1 1708 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 57.03 -10.749219 4.0013723 -7.3988066 1 1709 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 96.88 -4.7061353 1.9100617 -7.330967 1 1710 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 97.27 -3.7635603 0.85037965 -7.638983 1 1711 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 97.27 -4.508822 -0.45919222 -7.837302 1 1712 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 96.48 -5.3348756 -0.83506894 -7.008191 1 1713 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 96.48 -2.7436655 0.6773819 -6.5082035 1 1714 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 95.31 -1.7895806 1.8352401 -6.216797 1 1715 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 93.75 -0.9406314 1.5089344 -4.9970465 1 1716 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 93.75 -0.9081994 2.132351 -7.4143763 1 1717 +ATOM N N . THR B0 2 3 . 3 THR B0 N 97.66 -4.201345 -1.1418982 -8.922048 1 1718 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 98.05 -4.794407 -2.4407573 -9.202301 1 1719 +ATOM C C . THR B0 2 3 . 3 THR B0 C 98.44 -3.6903105 -3.4785948 -9.036407 1 1720 +ATOM O O . THR B0 2 3 . 3 THR B0 O 98.05 -2.7133794 -3.4785428 -9.784757 1 1721 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 97.27 -5.37117 -2.5049329 -10.626423 1 1722 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 92.97 -6.382992 -1.5015826 -10.774772 1 1723 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 92.58 -5.970361 -3.8763278 -10.907172 1 1724 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 98.05 -3.8447428 -4.340248 -8.041523 1 1725 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 98.05 -2.845786 -5.345872 -7.7277575 1 1726 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 98.05 -3.3092303 -6.71255 -8.219463 1 1727 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 97.27 -4.476342 -7.0670567 -8.077834 1 1728 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 98.05 -2.6014736 -5.364727 -6.2158575 1 1729 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 97.27 -1.3597622 -6.1153517 -5.791092 1 1730 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 97.66 -1.0108752 -5.86971 -4.330462 1 1731 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 94.92 -1.3693726 -4.84618 -3.7544274 1 1732 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 94.53 -0.30311295 -6.8186483 -3.7207422 1 1733 +ATOM N N . SER B0 2 5 . 5 SER B0 N 97.66 -2.3868861 -7.4590387 -8.819195 1 1734 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 97.66 -2.750471 -8.779414 -9.342262 1 1735 +ATOM C C . SER B0 2 5 . 5 SER B0 C 97.66 -1.5905054 -9.758575 -9.177782 1 1736 +ATOM O O . SER B0 2 5 . 5 SER B0 O 96.88 -0.42582715 -9.350792 -9.224361 1 1737 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 96.48 -3.140884 -8.6746235 -10.827683 1 1738 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 87.89 -2.0589585 -8.223061 -11.601473 1 1739 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 96.48 -1.9015442 -11.036486 -8.977891 1 1740 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 96.48 -3.2509148 -11.563948 -8.743401 1 1741 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 97.27 -3.6946952 -11.305044 -7.3124866 1 1742 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 96.48 -2.8854063 -10.89022 -6.478594 1 1743 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 95.7 -3.066139 -13.0629425 -9.004955 1 1744 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 93.36 -1.6722883 -13.334983 -8.526506 1 1745 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 94.53 -0.8833952 -12.110928 -8.922903 1 1746 +ATOM N N . SER B0 2 7 . 7 SER B0 N 96.09 -4.972532 -11.513429 -7.0418944 1 1747 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 95.7 -5.465298 -11.331608 -5.679096 1 1748 +ATOM C C . SER B0 2 7 . 7 SER B0 C 96.48 -4.9280014 -12.422163 -4.7629375 1 1749 +ATOM O O . SER B0 2 7 . 7 SER B0 O 95.7 -4.750898 -12.202841 -3.5617418 1 1750 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 94.92 -6.9940248 -11.325341 -5.661535 1 1751 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 88.67 -7.520418 -12.539477 -6.133765 1 1752 +ATOM N N . SER B0 2 8 . 8 SER B0 N 95.31 -4.651023 -13.57895 -5.331845 1 1753 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 94.92 -4.051214 -14.678866 -4.5880504 1 1754 +ATOM C C . SER B0 2 8 . 8 SER B0 C 95.7 -3.3354511 -15.601097 -5.5557985 1 1755 +ATOM O O . SER B0 2 8 . 8 SER B0 O 94.53 -3.630606 -15.617683 -6.749262 1 1756 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 92.97 -5.1040516 -15.465347 -3.7956686 1 1757 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 85.55 -5.999172 -16.136915 -4.651951 1 1758 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 96.88 -2.3674903 -16.33038 -5.0389786 1 1759 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 96.48 -1.6484461 -17.293396 -5.8586864 1 1760 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 96.88 -1.1252844 -18.40504 -4.96572 1 1761 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 96.09 -0.89979744 -18.210335 -3.777257 1 1762 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 94.92 -0.5059519 -16.62059 -6.6333237 1 1763 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 90.62 0.6604433 -16.028612 -5.855747 1 1764 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 86.72 1.278899 -14.864874 -6.6379094 1 1765 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 86.33 1.7448928 -17.0872 -5.572098 1 1766 +ATOM N N . SER B0 2 10 . 10 SER B0 N 96.48 -0.9554042 -19.577154 -5.551152 1 1767 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 96.48 -0.39187932 -20.72661 -4.8495727 1 1768 +ATOM C C . SER B0 2 10 . 10 SER B0 C 96.88 0.96762174 -21.030357 -5.464028 1 1769 +ATOM O O . SER B0 2 10 . 10 SER B0 O 95.7 1.1043422 -21.073414 -6.686179 1 1770 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 95.31 -1.3096478 -21.940722 -4.9712124 1 1771 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 88.28 -2.570527 -21.692686 -4.3760357 1 1772 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 97.27 1.9519334 -21.201775 -4.617955 1 1773 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 96.88 3.3056102 -21.462717 -5.0972385 1 1774 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 96.48 4.029106 -22.388306 -4.134645 1 1775 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 95.7 3.5796258 -22.612846 -3.0112627 1 1776 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 96.09 4.0752335 -20.15008 -5.2444696 1 1777 +ATOM N N . SER B0 2 12 . 12 SER B0 N 95.7 5.1461897 -22.92379 -4.5939174 1 1778 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 95.7 5.9516487 -23.831367 -3.7893558 1 1779 +ATOM C C . SER B0 2 12 . 12 SER B0 C 96.09 7.2677374 -23.167542 -3.3970242 1 1780 +ATOM O O . SER B0 2 12 . 12 SER B0 O 96.48 7.718381 -22.225912 -4.0562906 1 1781 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 94.92 6.2356977 -25.12477 -4.55618 1 1782 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 88.28 5.036294 -25.778677 -4.950075 1 1783 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 94.53 7.8598223 -23.675571 -2.3310056 1 1784 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 94.92 9.156094 -23.171509 -1.8900836 1 1785 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 95.7 10.145723 -23.329971 -3.0416088 1 1786 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 95.31 10.187564 -24.367287 -3.7045078 1 1787 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 93.36 9.652283 -23.929245 -0.64385253 1 1788 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 91.41 11.10954 -23.579777 -0.33832133 1 1789 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 91.41 8.759745 -23.623135 0.5501928 1 1790 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 96.88 10.915261 -22.284515 -3.3058577 1 1791 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 97.27 11.872333 -22.301521 -4.396476 1 1792 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 97.27 11.361626 -21.66938 -5.674467 1 1793 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 96.48 12.146423 -21.368046 -6.5778017 1 1794 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 97.66 10.038611 -21.454735 -5.769525 1 1795 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 97.66 9.447838 -20.856901 -6.9665346 1 1796 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 97.66 9.805851 -19.380192 -7.084914 1 1797 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 98.05 10.0565195 -18.69907 -6.082677 1 1798 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 97.27 7.9184136 -20.977503 -6.9375563 1 1799 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 96.09 7.4108067 -22.366816 -7.2687526 1 1800 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 94.53 8.233215 -23.24781 -7.5982 1 1801 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 93.36 6.180996 -22.5696 -7.2042456 1 1802 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 98.05 9.787964 -18.88651 -8.294752 1 1803 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 98.05 9.94859 -17.46653 -8.570402 1 1804 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 98.05 8.538896 -16.886887 -8.6286545 1 1805 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 97.66 7.7057443 -17.36613 -9.4055 1 1806 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 97.27 10.671186 -17.25412 -9.897336 1 1807 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 91.02 10.900965 -15.797401 -10.259654 1 1808 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 89.06 11.642653 -15.698196 -11.582658 1 1809 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 84.38 11.922808 -14.315142 -11.974961 1 1810 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 81.64 13.031737 -13.658257 -11.622246 1 1811 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 74.22 13.954244 -14.250891 -10.869307 1 1812 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 75.0 13.194854 -12.4061165 -11.998623 1 1813 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 98.05 8.287525 -15.881723 -7.8110094 1 1814 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 98.05 6.9578986 -15.285869 -7.717511 1 1815 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 98.05 6.999344 -13.822004 -8.148714 1 1816 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 98.05 7.8846054 -13.07215 -7.728467 1 1817 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 97.27 6.4087067 -15.396622 -6.2762184 1 1818 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 93.36 5.122938 -14.59992 -6.1116114 1 1819 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 92.97 6.1785216 -16.85816 -5.9178348 1 1820 +ATOM N N . THR B0 2 18 . 18 THR B0 N 98.05 6.0353656 -13.421848 -8.981646 1 1821 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 98.05 5.949852 -12.047734 -9.445728 1 1822 +ATOM C C . THR B0 2 18 . 18 THR B0 C 98.44 4.551012 -11.50016 -9.156678 1 1823 +ATOM O O . THR B0 2 18 . 18 THR B0 O 98.05 3.549304 -12.1179695 -9.5253525 1 1824 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 97.66 6.2483006 -11.939522 -10.9521885 1 1825 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 92.19 7.573742 -12.40929 -11.208889 1 1826 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 91.41 6.127585 -10.495768 -11.429069 1 1827 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 98.44 4.5067997 -10.356968 -8.478572 1 1828 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 98.44 3.2525275 -9.684999 -8.149843 1 1829 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 98.44 3.2581515 -8.344387 -8.874364 1 1830 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 98.44 4.278185 -7.647654 -8.881948 1 1831 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 98.44 3.1238537 -9.473465 -6.6264644 1 1832 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 97.27 3.0934715 -10.829919 -5.91845 1 1833 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 97.66 1.8765922 -8.6562 -6.300684 1 1834 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 93.75 3.2610004 -10.73824 -4.405802 1 1835 +ATOM N N . THR B0 2 20 . 20 THR B0 N 98.44 2.1351495 -7.9961157 -9.496481 1 1836 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 98.44 2.0480185 -6.774663 -10.286556 1 1837 +ATOM C C . THR B0 2 20 . 20 THR B0 C 98.44 1.1546674 -5.7247686 -9.625511 1 1838 +ATOM O O . THR B0 2 20 . 20 THR B0 O 98.44 0.1480825 -6.062292 -8.994789 1 1839 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 98.05 1.5154895 -7.0780497 -11.701403 1 1840 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 90.62 2.3649638 -8.048258 -12.325341 1 1841 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 90.23 1.4522583 -5.8265414 -12.567297 1 1842 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 98.05 1.5371358 -4.462287 -9.763575 1 1843 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 98.44 0.7684834 -3.335187 -9.253753 1 1844 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 98.44 0.6593071 -2.311953 -10.374541 1 1845 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 98.05 1.6771278 -1.8239269 -10.868986 1 1846 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 98.05 1.465598 -2.7318268 -8.045386 1 1847 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 96.88 0.62553066 -1.3391016 -7.296273 1 1848 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 98.05 -0.5665078 -2.002102 -10.806076 1 1849 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 98.05 -0.7940544 -1.0515344 -11.885067 1 1850 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 98.05 -1.4694617 0.20693642 -11.351829 1 1851 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 97.66 -2.5096164 0.12970623 -10.69021 1 1852 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 97.66 -1.6555629 -1.6873786 -12.982256 1 1853 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 90.23 -1.9081128 -0.75397253 -14.155494 1 1854 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 85.94 -2.6420262 -1.4723907 -15.2728195 1 1855 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 78.52 -1.8637328 -2.5824986 -15.81201 1 1856 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 72.66 -2.317535 -3.4617395 -16.696205 1 1857 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 66.02 -3.5510373 -3.3644276 -17.14939 1 1858 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 66.02 -1.5341351 -4.4333763 -17.132206 1 1859 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 97.27 -0.8492464 1.3464401 -11.617897 1 1860 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 97.27 -1.385007 2.6307545 -11.186775 1 1861 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 97.27 -2.2744856 3.2203321 -12.277731 1 1862 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 96.48 -1.9973922 3.0575562 -13.462067 1 1863 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 96.48 -0.2507562 3.597892 -10.85753 1 1864 +ATOM N N . SER B0 2 24 . 24 SER B0 N 96.09 -3.3464956 3.905984 -11.882183 1 1865 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 95.31 -4.2625184 4.5105057 -12.842133 1 1866 +ATOM C C . SER B0 2 24 . 24 SER B0 C 95.31 -3.6689065 5.7410383 -13.518269 1 1867 +ATOM O O . SER B0 2 24 . 24 SER B0 O 93.36 -4.162897 6.1724043 -14.567451 1 1868 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 94.92 -5.5832167 4.8862205 -12.153782 1 1869 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 92.19 -5.370771 5.805883 -11.105843 1 1870 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 93.36 -2.625414 6.3114986 -12.920306 1 1871 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 92.97 -1.917556 7.460467 -13.467337 1 1872 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 94.53 -0.42666197 7.2554717 -13.271221 1 1873 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 93.75 -0.008779723 6.419652 -12.464003 1 1874 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 90.62 -2.3542323 8.759289 -12.781887 1 1875 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 83.59 -3.840406 9.079262 -12.94 1 1876 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 79.69 -4.2347684 10.312387 -12.157885 1 1877 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 73.05 -3.4158287 10.902447 -11.457801 1 1878 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 69.53 -5.4960938 10.714222 -12.261148 1 1879 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 93.36 0.377142 8.034733 -13.996872 1 1880 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 92.58 1.8299637 7.9561853 -13.873973 1 1881 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 92.97 2.233459 8.440854 -12.478808 1 1882 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 91.8 1.9937116 9.595789 -12.130137 1 1883 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 91.41 2.5016854 8.816336 -14.949535 1 1884 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 88.28 3.9993365 8.588652 -15.046813 1 1885 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 84.77 4.6333942 8.254535 -14.027313 1 1886 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 83.98 4.552015 8.757844 -16.16072 1 1887 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 94.14 2.8232458 7.547613 -11.685921 1 1888 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 93.75 3.2389762 7.903306 -10.329313 1 1889 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 93.75 4.757005 7.9188495 -10.188672 1 1890 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 91.41 5.279189 7.9207506 -9.062287 1 1891 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 93.36 2.6291213 6.960439 -9.271562 1 1892 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 91.02 3.0884624 5.516383 -9.495268 1 1893 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 89.45 1.1033397 7.0499907 -9.315161 1 1894 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 87.5 2.708294 4.5675516 -8.359346 1 1895 +ATOM N N . SER B0 2 28 . 28 SER B0 N 91.8 5.468726 7.9505825 -11.311853 1 1896 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 91.02 6.9266396 7.9979506 -11.317339 1 1897 +ATOM C C . SER B0 2 28 . 28 SER B0 C 92.19 7.5017977 6.8555593 -10.482698 1 1898 +ATOM O O . SER B0 2 28 . 28 SER B0 O 90.23 7.24188 5.6939745 -10.781194 1 1899 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 87.89 7.420182 9.351968 -10.8006525 1 1900 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 80.08 8.805738 9.489615 -10.952793 1 1901 +ATOM N N . SER B0 2 29 . 29 SER B0 N 90.62 8.221909 7.1511965 -9.416353 1 1902 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 90.62 8.8020935 6.1256475 -8.558119 1 1903 +ATOM C C . SER B0 2 29 . 29 SER B0 C 92.19 8.185796 6.1121483 -7.155961 1 1904 +ATOM O O . SER B0 2 29 . 29 SER B0 O 90.62 8.777046 5.5660005 -6.2181506 1 1905 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 87.11 10.320471 6.3326483 -8.454188 1 1906 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 80.47 10.627112 7.591564 -7.887602 1 1907 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 94.53 6.986061 6.691482 -7.005869 1 1908 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 95.31 6.3321977 6.791011 -5.7027225 1 1909 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 96.48 5.567069 5.5130553 -5.3609123 1 1910 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 95.7 4.3378773 5.5208387 -5.2204304 1 1911 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 93.36 5.3963013 7.999464 -5.6746073 1 1912 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 98.05 6.283598 4.4008784 -5.2293816 1 1913 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 98.05 5.654381 3.1266785 -4.9279346 1 1914 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 97.66 6.473613 2.3327816 -3.9168992 1 1915 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 97.66 7.69752 2.2804666 -4.0057716 1 1916 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 98.05 5.4648905 2.2912865 -6.195425 1 1917 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 97.27 4.563588 1.0619206 -5.9858856 1 1918 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 96.88 5.290498 -0.21478803 -6.3002415 1 1919 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 96.88 3.254688 1.1813147 -6.6937213 1 1920 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 98.44 5.76962 1.7176405 -2.9609494 1 1921 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 98.44 6.39816 0.88712937 -1.9425048 1 1922 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 98.44 5.6807585 -0.45669273 -1.8830571 1 1923 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 98.44 4.53074 -0.577695 -2.308853 1 1924 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 98.05 6.3435016 1.5701628 -0.5732013 1 1925 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 98.44 6.3723464 -1.4617091 -1.3338727 1 1926 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 98.83 5.8134713 -2.7971416 -1.1651438 1 1927 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 98.83 5.9210615 -3.2130718 0.29578397 1 1928 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 98.44 6.954777 -2.9857152 0.9485636 1 1929 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 98.44 6.5599613 -3.8240721 -2.030276 1 1930 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 98.83 6.3203316 -3.7044883 -3.5002904 1 1931 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 98.83 7.113365 -3.067428 -4.4090376 1 1932 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 98.83 5.222602 -4.2559156 -4.238046 1 1933 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 98.83 6.5800486 -3.1913347 -5.672356 1 1934 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 98.44 5.420741 -3.9076564 -5.593973 1 1935 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 98.83 4.097205 -5.006606 -3.8864198 1 1936 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 98.83 4.5293837 -4.2891498 -6.6024675 1 1937 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 98.44 3.2177258 -5.3834867 -4.8868313 1 1938 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 98.44 3.436693 -5.026203 -6.223101 1 1939 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 98.44 4.8491497 -3.8796287 0.79993045 1 1940 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 98.83 4.792919 -4.340044 2.1814332 1 1941 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 98.83 4.4177694 -5.8102775 2.246107 1 1942 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 98.83 3.721237 -6.3307185 1.3702757 1 1943 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 98.44 3.7518454 -3.548604 2.9871306 1 1944 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 98.44 3.994591 -2.060646 3.0114303 1 1945 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 98.44 3.4935255 -1.2444019 2.004288 1 1946 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 98.83 4.7242327 -1.4681299 4.0315332 1 1947 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 98.05 3.717814 0.117504075 2.0084786 1 1948 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 98.44 4.952034 -0.1042501 4.048811 1 1949 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 98.44 4.4474216 0.68273723 3.0296624 1 1950 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 98.05 4.677422 2.0283446 3.034746 1 1951 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 98.44 4.8543377 -6.4497313 3.31806 1 1952 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 98.83 4.4994574 -7.8340616 3.5989187 1 1953 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 98.83 3.7302747 -7.86149 4.9127645 1 1954 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 98.44 4.128178 -7.1987677 5.877227 1 1955 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 98.44 5.764991 -8.690504 3.7234151 1 1956 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 98.44 5.4950066 -10.151569 4.0909147 1 1957 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 98.44 6.76285 -10.867871 4.542588 1 1958 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 95.7 7.2968845 -10.59178 5.615281 1 1959 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 95.31 7.2609587 -11.775324 3.7025123 1 1960 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 98.05 2.6183202 -8.603416 4.939166 1 1961 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 98.44 1.8662028 -8.725501 6.181924 1 1962 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 98.05 1.5116736 -10.18264 6.453271 1 1963 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 97.66 0.97442627 -10.867951 5.581586 1 1964 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 98.05 0.58394974 -7.881624 6.15018 1 1965 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 97.66 -0.1430969 -7.8912416 7.4946337 1 1966 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 98.44 -1.4285386 -7.1011496 7.484465 1 1967 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 95.31 -2.1800876 -7.122479 6.5118427 1 1968 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 94.92 -1.6967285 -6.3881264 8.584997 1 1969 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 96.09 1.8110542 -10.622044 7.6495113 1 1970 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 95.7 1.470659 -11.971287 8.093037 1 1971 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 95.7 0.30748188 -11.877026 9.073732 1 1972 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 95.31 0.12877385 -10.844943 9.729165 1 1973 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 95.31 2.684822 -12.64233 8.735798 1 1974 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 93.36 3.8097763 -12.869066 7.7456474 1 1975 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 91.41 4.9861956 -13.591839 8.377092 1 1976 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 89.45 6.0644226 -13.831194 7.334405 1 1977 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 85.55 7.230932 -14.533747 7.900278 1 1978 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 93.75 -0.5141846 -12.950513 9.170813 1 1979 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 92.19 -1.6971132 -12.896198 10.041117 1 1980 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 92.97 -1.3666744 -12.456912 11.463126 1 1981 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 91.41 -0.41942722 -12.955212 12.078974 1 1982 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 90.23 -2.213883 -14.337453 10.009801 1 1983 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 88.67 -1.7984896 -14.838481 8.656333 1 1984 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 91.8 -0.4244975 -14.236723 8.446395 1 1985 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 92.97 -2.1485114 -11.4951935 11.967884 1 1986 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 92.19 -1.9745152 -10.989875 13.315443 1 1987 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 92.97 -0.81355524 -10.042934 13.513562 1 1988 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 91.41 -0.546049 -9.632763 14.649497 1 1989 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 96.88 -0.13321112 -9.686868 12.4271965 1 1990 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 97.27 1.0238549 -8.799983 12.516886 1 1991 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 97.66 0.81877923 -7.5210495 11.713765 1 1992 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 96.88 -0.012404749 -7.474741 10.788446 1 1993 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 96.48 2.2842336 -9.509106 12.010432 1 1994 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 91.02 2.6173916 -10.807699 12.72483 1 1995 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 85.55 3.0399666 -10.56079 14.167921 1 1996 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 77.34 3.4652853 -11.862549 14.83748 1 1997 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 68.75 3.8426087 -11.646981 16.252 1 1998 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 98.05 1.5729066 -6.4976687 12.065462 1 1999 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 98.05 1.5421228 -5.249243 11.312811 1 2000 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 98.44 2.302342 -5.4455223 10.004265 1 2001 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 98.44 3.1644764 -6.317655 9.909225 1 2002 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 98.05 2.1867573 -4.1296554 12.121012 1 2003 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 98.44 1.9935665 -4.6404033 8.994869 1 2004 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 98.83 2.746447 -4.7426805 7.738 1 2005 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 98.83 4.2205853 -4.413342 7.964295 1 2006 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 98.44 4.5708055 -3.67565 8.889118 1 2007 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 98.44 2.0728693 -3.6964517 6.8371515 1 2008 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 97.66 0.68462557 -3.579666 7.385139 1 2009 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 98.44 0.86273456 -3.7019804 8.877969 1 2010 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 98.44 5.070036 -4.9721613 7.1076083 1 2011 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 98.44 6.5065403 -4.7502813 7.169691 1 2012 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 98.83 6.973726 -4.2274175 5.8153687 1 2013 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 98.83 6.658249 -4.8179293 4.7812767 1 2014 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 98.44 7.2271204 -6.0641274 7.5076284 1 2015 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 94.92 8.73509 -5.996699 7.3897715 1 2016 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 92.58 9.33721 -7.3978868 7.5170617 1 2017 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 85.16 10.8384075 -7.370125 7.2651095 1 2018 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 78.91 11.426636 -8.736593 7.2934766 1 2019 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 98.44 7.713776 -3.1185646 5.830289 1 2020 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 98.44 8.217783 -2.5389886 4.589475 1 2021 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 98.44 9.276338 -3.441184 3.952856 1 2022 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 98.44 10.1994295 -3.887309 4.62307 1 2023 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 98.44 8.819191 -1.1516126 4.855324 1 2024 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 98.05 9.436617 -0.4407693 3.6464105 1 2025 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 97.27 10.227015 0.7782584 4.112844 1 2026 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 97.27 8.357453 -0.044045605 2.6527724 1 2027 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 98.44 9.118171 -3.703165 2.6606772 1 2028 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 98.83 10.080231 -4.5088315 1.920497 1 2029 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 98.83 10.873674 -3.6382914 0.9524668 1 2030 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 98.44 12.105366 -3.6884494 0.92747045 1 2031 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 98.44 9.370363 -5.593539 1.1056447 1 2032 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 98.44 8.556333 -6.6556883 1.8403742 1 2033 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 98.05 7.8285275 -7.528473 0.81212366 1 2034 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 98.05 9.459906 -7.500841 2.7182212 1 2035 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 98.44 10.160066 -2.8807907 0.14233172 1 2036 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 98.44 10.732127 -2.0710835 -0.93316305 1 2037 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 98.44 10.122613 -0.66942286 -0.8957753 1 2038 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 98.05 8.926401 -0.5192134 -0.64981496 1 2039 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 98.44 10.432472 -2.6953824 -2.3201013 1 2040 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 98.05 11.012433 -4.1113467 -2.4327345 1 2041 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 98.05 10.928388 -1.8012805 -3.447132 1 2042 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 95.7 12.51265 -4.183828 -2.596558 1 2043 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 97.27 10.945704 0.36005032 -1.129653 1 2044 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 96.88 10.434526 1.7204618 -1.2608802 1 2045 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 97.27 11.043337 2.3652167 -2.4994373 1 2046 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 96.88 12.064432 1.9013755 -3.0171714 1 2047 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 96.48 10.7112665 2.5548463 -0.0068984656 1 2048 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 96.09 12.182095 2.721189 0.3510084 1 2049 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 95.7 12.825704 1.8053102 1.1731799 1 2050 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 95.7 12.912064 3.806285 -0.12669465 1 2051 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 94.92 14.160169 1.9599735 1.512748 1 2052 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 94.92 14.246025 3.9737225 0.21010365 1 2053 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 94.92 14.85695 3.0506244 1.0263381 1 2054 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 93.75 16.184504 3.2132893 1.3596878 1 2055 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 95.7 10.39389 3.41701 -2.992885 1 2056 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 95.31 10.835151 4.1093845 -4.201096 1 2057 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 96.09 11.101524 3.1185827 -5.337561 1 2058 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 94.53 12.107691 3.1895883 -6.03018 1 2059 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 93.75 12.079535 4.965859 -3.9175668 1 2060 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 92.19 11.779988 6.1505485 -3.0096226 1 2061 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 89.06 10.589934 6.4091277 -2.7124379 1 2062 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 87.5 12.740977 6.8239994 -2.5936346 1 2063 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 96.88 10.147768 2.1770024 -5.5103188 1 2064 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 96.88 10.115791 1.1713278 -6.5660067 1 2065 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 97.27 11.10598 0.019885002 -6.3673797 1 2066 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 96.48 10.69447 -1.1435523 -6.373605 1 2067 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 96.09 10.309409 1.7721348 -7.976551 1 2068 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 93.75 10.2589245 0.68559 -9.045542 1 2069 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 93.36 9.239204 2.829102 -8.253056 1 2070 +ATOM N N . SER B0 2 50 . 50 SER B0 N 96.09 12.392313 0.33921808 -6.1722164 1 2071 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 95.31 13.396446 -0.7195147 -6.1598454 1 2072 +ATOM C C . SER B0 2 50 . 50 SER B0 C 95.7 14.373833 -0.7020607 -4.982791 1 2073 +ATOM O O . SER B0 2 50 . 50 SER B0 O 94.92 15.268523 -1.5458958 -4.9362397 1 2074 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 93.75 14.194382 -0.6815698 -7.4685354 1 2075 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 91.02 14.879073 0.55514455 -7.6054196 1 2076 +ATOM N N . SER B0 2 51 . 51 SER B0 N 95.31 14.212242 0.23660657 -4.042638 1 2077 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 95.7 15.131651 0.31341794 -2.9159813 1 2078 +ATOM C C . SER B0 2 51 . 51 SER B0 C 96.09 14.757008 -0.72544044 -1.8546749 1 2079 +ATOM O O . SER B0 2 51 . 51 SER B0 O 96.48 13.648135 -0.69838905 -1.3142772 1 2080 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 93.75 15.127394 1.7173146 -2.3059573 1 2081 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 89.06 15.586786 2.683825 -3.2332206 1 2082 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 97.66 15.681232 -1.6271073 -1.5551229 1 2083 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 97.66 15.448108 -2.6922338 -0.5830972 1 2084 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 97.66 15.649292 -2.1578941 0.82738787 1 2085 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 96.88 16.700653 -1.595516 1.1411716 1 2086 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 97.27 16.403393 -3.857374 -0.84678453 1 2087 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 95.31 16.120216 -5.186877 -0.13994718 1 2088 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 93.36 17.276653 -6.144309 -0.33531 1 2089 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 92.19 14.8173275 -5.7874737 -0.6488119 1 2090 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 97.27 14.6237335 -2.3142476 1.6746359 1 2091 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 97.27 14.726534 -1.8568261 3.0542207 1 2092 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 97.66 15.796019 -2.6629827 3.7826297 1 2093 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 97.27 15.973549 -3.854682 3.5242512 1 2094 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 96.88 13.369118 -1.998251 3.7609904 1 2095 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 95.31 13.3933735 -1.7079245 5.2660465 1 2096 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 95.31 13.598656 -0.25837532 5.637706 1 2097 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 92.19 14.165531 0.52397287 4.842577 1 2098 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 91.8 13.20591 0.121887006 6.760236 1 2099 +ATOM N N . SER B0 2 54 . 54 SER B0 N 96.48 16.509602 -2.0175505 4.6867075 1 2100 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 95.7 17.564924 -2.6656377 5.455561 1 2101 +ATOM C C . SER B0 2 54 . 54 SER B0 C 96.48 17.025751 -3.9024715 6.179882 1 2102 +ATOM O O . SER B0 2 54 . 54 SER B0 O 95.7 15.962187 -3.8531833 6.8031654 1 2103 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 94.14 18.147568 -1.6802331 6.471408 1 2104 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 82.42 19.170038 -2.278387 7.243434 1 2105 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 96.88 17.75327 -4.9991207 6.0810995 1 2106 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 96.88 17.365332 -6.2331066 6.732544 1 2107 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 97.66 16.484793 -7.1456547 5.9086165 1 2108 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 96.88 16.257133 -8.297281 6.2989435 1 2109 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 98.05 15.976224 -6.654053 4.7785387 1 2110 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 98.05 15.121178 -7.47208 3.9193048 1 2111 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 98.05 16.005365 -8.322841 3.0072765 1 2112 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 97.66 16.951607 -7.8136835 2.403883 1 2113 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 98.05 14.170823 -6.5902214 3.08421 1 2114 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 97.66 13.360086 -7.4376974 2.112968 1 2115 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 97.66 13.249848 -5.793971 4.0061436 1 2116 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 98.05 15.722599 -9.6455765 2.9019423 1 2117 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 98.44 16.547379 -10.531331 2.0698345 1 2118 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 98.44 16.611765 -10.0787735 0.608865 1 2119 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 98.05 15.630209 -9.561282 0.06406111 1 2120 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 97.66 15.845629 -11.888927 2.2008262 1 2121 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 96.88 15.140982 -11.8209 3.5126052 1 2122 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 97.66 14.66087 -10.392082 3.6110988 1 2123 +ATOM N N . SER B0 2 58 . 58 SER B0 N 98.05 17.75788 -10.308171 -0.018719323 1 2124 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 97.66 17.987564 -9.888364 -1.3931475 1 2125 +ATOM C C . SER B0 2 58 . 58 SER B0 C 98.05 17.145779 -10.639257 -2.4250555 1 2126 +ATOM O O . SER B0 2 58 . 58 SER B0 O 97.66 17.132011 -10.25401 -3.597859 1 2127 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 96.09 19.471409 -10.0198555 -1.7480439 1 2128 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 88.67 19.908182 -11.3569145 -1.6170723 1 2129 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 98.44 16.436588 -11.704248 -2.016008 1 2130 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 98.44 15.57448 -12.400276 -2.9518223 1 2131 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 98.44 14.358922 -11.5536175 -3.3255556 1 2132 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 98.44 13.678988 -11.857836 -4.3070364 1 2133 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 98.05 15.139251 -13.7630005 -2.4028196 1 2134 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 96.88 14.263903 -13.700142 -1.1683106 1 2135 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 96.48 13.939616 -15.12236 -0.695409 1 2136 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 96.09 13.193985 -15.127071 0.5737584 1 2137 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 97.27 13.786289 -15.079386 1.7629995 1 2138 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 95.31 15.116084 -15.01313 1.8628938 1 2139 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 95.31 13.042877 -15.076117 2.852912 1 2140 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 98.83 14.10254 -10.473867 -2.5548687 1 2141 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 98.44 13.02478 -9.5380745 -2.8717883 1 2142 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 98.44 13.5821705 -8.415544 -3.748866 1 2143 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 98.44 14.647559 -7.8648214 -3.453063 1 2144 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 98.44 12.442967 -8.922618 -1.5950238 1 2145 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 98.83 11.655813 -9.883007 -0.7560166 1 2146 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 98.44 12.256119 -10.553562 0.29368585 1 2147 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 98.44 10.308874 -10.1022415 -1.012327 1 2148 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 98.44 11.528275 -11.436562 1.0770001 1 2149 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 98.05 9.577091 -10.978863 -0.23078609 1 2150 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 98.44 10.18507 -11.644817 0.81954145 1 2151 +ATOM N N . SER B0 2 61 . 61 SER B0 N 98.44 12.86644 -8.088822 -4.7988443 1 2152 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 98.44 13.277145 -6.9830647 -5.655015 1 2153 +ATOM C C . SER B0 2 61 . 61 SER B0 C 98.44 12.048506 -6.3150415 -6.25373 1 2154 +ATOM O O . SER B0 2 61 . 61 SER B0 O 98.83 11.003128 -6.9526014 -6.42548 1 2155 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 98.05 14.217253 -7.449959 -6.7703223 1 2156 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 94.53 13.553339 -8.310585 -7.674224 1 2157 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 98.44 12.155559 -5.036124 -6.5212274 1 2158 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 98.05 11.071197 -4.284092 -7.12327 1 2159 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 98.44 11.541727 -3.610043 -8.397194 1 2160 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 98.05 12.717778 -3.2651615 -8.528323 1 2161 +ATOM N N . SER B0 2 63 . 63 SER B0 N 98.05 10.64308 -3.4396193 -9.3373165 1 2162 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 98.05 10.97941 -2.788212 -10.598375 1 2163 +ATOM C C . SER B0 2 63 . 63 SER B0 C 98.05 9.744399 -2.0993872 -11.163355 1 2164 +ATOM O O . SER B0 2 63 . 63 SER B0 O 97.66 8.626387 -2.3237424 -10.682959 1 2165 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 97.27 11.53551 -3.7934837 -11.611351 1 2166 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 91.41 10.558547 -4.746175 -11.968101 1 2167 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 96.88 9.968674 -1.2733021 -12.170236 1 2168 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 96.88 8.869141 -0.5928831 -12.826399 1 2169 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 96.48 9.037823 0.9147473 -12.818981 1 2170 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 95.7 9.904149 1.4551132 -12.136968 1 2171 +ATOM N N . SER B0 2 65 . 65 SER B0 N 95.31 8.199071 1.5701079 -13.576691 1 2172 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 94.53 8.200115 3.0250487 -13.666009 1 2173 +ATOM C C . SER B0 2 65 . 65 SER B0 C 94.92 6.8917885 3.4776998 -14.292248 1 2174 +ATOM O O . SER B0 2 65 . 65 SER B0 O 93.36 6.3258514 2.7655594 -15.128174 1 2175 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 92.58 9.384262 3.523765 -14.491312 1 2176 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 83.59 9.389962 4.9336333 -14.589599 1 2177 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 94.53 6.4170456 4.649476 -13.876793 1 2178 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 94.92 5.2119694 5.1879396 -14.477321 1 2179 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 95.31 3.930742 4.5993633 -13.913824 1 2180 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 94.53 3.4369297 5.0567427 -12.878429 1 2181 +ATOM N N . THR B0 2 67 . 67 THR B0 N 96.88 3.4015534 3.5768738 -14.583416 1 2182 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 96.88 2.1474419 2.9771605 -14.157955 1 2183 +ATOM C C . THR B0 2 67 . 67 THR B0 C 97.66 2.231062 1.4869002 -13.834624 1 2184 +ATOM O O . THR B0 2 67 . 67 THR B0 O 97.27 1.3317403 0.960142 -13.168775 1 2185 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 95.7 1.0453448 3.1681697 -15.226007 1 2186 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 92.97 1.4671471 2.580197 -16.460787 1 2187 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 92.19 0.7464774 4.649726 -15.458652 1 2188 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 97.27 3.26998 0.8034004 -14.289345 1 2189 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 97.27 3.378631 -0.63605154 -14.089798 1 2190 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 98.05 4.57892 -1.0001221 -13.216787 1 2191 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 97.66 5.7084146 -0.6493286 -13.526369 1 2192 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 96.48 3.4782982 -1.361146 -15.442331 1 2193 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 92.19 2.1965585 -1.2555615 -16.255808 1 2194 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 87.5 2.2878928 -1.21685 -17.498549 1 2195 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 87.11 1.100817 -1.2097689 -15.649786 1 2196 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 98.05 4.300751 -1.71793 -12.124207 1 2197 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 98.44 5.3347807 -2.0738857 -11.156779 1 2198 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 98.44 5.2322254 -3.54837 -10.787305 1 2199 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 98.05 4.1510344 -4.135868 -10.840972 1 2200 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 98.05 5.1961393 -1.2058171 -9.896233 1 2201 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 98.05 5.2190313 0.26234874 -10.191864 1 2202 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 97.66 4.045786 0.941648 -10.497254 1 2203 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 97.27 6.415416 0.96248704 -10.19199 1 2204 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 96.88 4.0637064 2.2928762 -10.800652 1 2205 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 96.88 6.4381466 2.3142269 -10.489973 1 2206 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 96.88 5.2586064 2.9805796 -10.795103 1 2207 +ATOM N N . THR B0 2 70 . 70 THR B0 N 98.44 6.366217 -4.1272607 -10.399567 1 2208 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 98.44 6.3716884 -5.526498 -10.00946 1 2209 +ATOM C C . THR B0 2 70 . 70 THR B0 C 98.44 7.235237 -5.754966 -8.766054 1 2210 +ATOM O O . THR B0 2 70 . 70 THR B0 O 98.44 8.244042 -5.084924 -8.567934 1 2211 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 98.44 6.8947864 -6.4441223 -11.13501 1 2212 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 92.97 8.240292 -6.088329 -11.453817 1 2213 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 92.58 6.020253 -6.3626175 -12.372435 1 2214 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 98.83 6.786115 -6.706437 -7.954502 1 2215 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 98.83 7.562393 -7.212293 -6.829145 1 2216 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 98.83 7.9170666 -8.641017 -7.2029276 1 2217 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 98.83 7.0401983 -9.413649 -7.6037917 1 2218 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 98.83 6.7455287 -7.210071 -5.5339956 1 2219 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 98.44 7.4187384 -7.8884473 -4.3285513 1 2220 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 98.05 6.411107 -8.128803 -3.2080193 1 2221 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 98.05 8.59431 -7.060964 -3.8266659 1 2222 +ATOM N N . THR B0 2 72 . 72 THR B0 N 98.44 9.189281 -8.973936 -7.1088314 1 2223 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 98.44 9.626952 -10.318604 -7.4557614 1 2224 +ATOM C C . THR B0 2 72 . 72 THR B0 C 98.83 10.316942 -10.974049 -6.263341 1 2225 +ATOM O O . THR B0 2 72 . 72 THR B0 O 98.44 11.141605 -10.346819 -5.595299 1 2226 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 98.44 10.598693 -10.293382 -8.653882 1 2227 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 95.7 9.927641 -9.758187 -9.799022 1 2228 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 95.7 11.09695 -11.700081 -8.989502 1 2229 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 98.44 9.940912 -12.218188 -5.9850554 1 2230 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 98.44 10.62581 -13.034987 -4.987974 1 2231 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 98.44 11.306271 -14.120636 -5.8133206 1 2232 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 98.44 10.630419 -14.980592 -6.3897176 1 2233 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 98.44 9.651252 -13.659058 -3.9672594 1 2234 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 97.66 8.711235 -12.586346 -3.3941975 1 2235 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 97.66 10.442841 -14.335286 -2.8431628 1 2236 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 96.88 7.619932 -13.135593 -2.4709752 1 2237 +ATOM N N . SER B0 2 74 . 74 SER B0 N 98.05 12.624851 -14.051876 -5.9100237 1 2238 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 98.05 13.373581 -14.938154 -6.8021336 1 2239 +ATOM C C . SER B0 2 74 . 74 SER B0 C 98.05 13.305616 -16.41512 -6.4189453 1 2240 +ATOM O O . SER B0 2 74 . 74 SER B0 O 96.88 13.310624 -17.275517 -7.301462 1 2241 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 96.88 14.841781 -14.505039 -6.8555274 1 2242 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 92.97 15.447575 -14.626126 -5.586822 1 2243 +ATOM N N . SER B0 2 75 . 75 SER B0 N 97.66 13.251219 -16.717216 -5.1399946 1 2244 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 97.66 13.18425 -18.096506 -4.654578 1 2245 +ATOM C C . SER B0 2 75 . 75 SER B0 C 98.05 12.378134 -18.108967 -3.3619585 1 2246 +ATOM O O . SER B0 2 75 . 75 SER B0 O 97.66 12.909119 -17.827263 -2.2876322 1 2247 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 97.27 14.595564 -18.658787 -4.427393 1 2248 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 90.23 14.533156 -20.028873 -4.03077 1 2249 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 96.88 11.0936985 -18.433228 -3.4845753 1 2250 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 96.88 10.171202 -18.38183 -2.3564978 1 2251 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 96.88 10.621894 -19.253551 -1.1905694 1 2252 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 96.88 10.982737 -20.41955 -1.3845346 1 2253 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 96.48 8.772236 -18.801308 -2.82091 1 2254 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 95.31 7.5768175 -18.350073 -1.980923 1 2255 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 93.75 6.3206587 -19.024338 -2.512218 1 2256 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 93.75 7.429899 -16.832747 -2.021407 1 2257 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 95.7 10.600843 -18.67121 0.0016305624 1 2258 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 96.09 10.981235 -19.377728 1.2142098 1 2259 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 95.7 9.749535 -19.578447 2.084173 1 2260 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 94.92 8.738306 -18.88578 1.9115984 1 2261 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 96.09 12.058573 -18.595581 1.9787643 1 2262 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 94.92 13.341488 -18.39133 1.1875336 1 2263 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 92.58 13.969471 -19.707611 0.76698893 1 2264 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 86.72 14.261076 -20.561949 1.5953326 1 2265 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 85.55 14.157186 -19.885124 -0.5339846 1 2266 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 92.97 9.786958 -20.538706 3.0398417 1 2267 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 91.8 8.6157465 -20.790836 3.8831043 1 2268 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 92.58 8.096846 -19.544296 4.5932317 1 2269 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 91.8 6.885481 -19.37601 4.7370353 1 2270 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 90.23 9.131724 -21.83322 4.8848953 1 2271 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 88.28 10.179202 -22.576992 4.129126 1 2272 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 91.02 10.866757 -21.506016 3.321567 1 2273 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 94.92 8.994654 -18.657658 5.016238 1 2274 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 94.53 8.590105 -17.449703 5.7241044 1 2275 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 94.92 8.000254 -16.37942 4.80822 1 2276 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 94.14 7.551177 -15.338709 5.2898893 1 2277 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 92.97 9.781845 -16.86594 6.509977 1 2278 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 87.11 10.975308 -16.467506 5.641003 1 2279 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 84.77 12.022157 -17.557947 5.5384903 1 2280 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 79.69 11.655544 -18.763287 5.5324926 1 2281 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 79.69 13.218948 -17.223366 5.450898 1 2282 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 96.88 7.9952784 -16.61493 3.4968746 1 2283 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 96.88 7.4806747 -15.640903 2.5375872 1 2284 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 96.48 5.992456 -15.797794 2.2482479 1 2285 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 95.7 5.4243555 -14.966726 1.536592 1 2286 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 96.88 8.2603245 -15.7258415 1.2184424 1 2287 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 97.27 9.742846 -15.451405 1.3908807 1 2288 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 96.48 10.122356 -14.804369 2.3934522 1 2289 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 96.48 10.525994 -15.888817 0.5262834 1 2290 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 95.7 5.3575525 -16.840801 2.77001 1 2291 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 94.92 3.9292855 -17.012249 2.5660188 1 2292 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 95.31 3.2018886 -16.00891 3.4570086 1 2293 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 93.75 3.248275 -16.097706 4.674073 1 2294 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 92.97 3.5118034 -18.458141 2.8363624 1 2295 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 84.77 4.064436 -19.407822 1.8100687 1 2296 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 79.69 5.206141 -20.145363 2.0668974 1 2297 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 81.64 3.4545116 -19.521751 0.5713326 1 2298 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 75.78 5.7343807 -20.993338 1.1042612 1 2299 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 78.52 3.9761996 -20.369465 -0.39943996 1 2300 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 75.78 5.1208663 -21.108139 -0.13128817 1 2301 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 96.48 2.5733151 -15.042499 2.797509 1 2302 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 96.48 1.9840147 -13.887872 3.4651911 1 2303 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 96.48 1.1701229 -13.1063595 2.4491878 1 2304 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 96.48 1.0439799 -13.522942 1.2990044 1 2305 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 95.7 3.0879593 -12.999292 4.0563054 1 2306 +ATOM N N . THR B0 2 83 . 83 THR B0 N 97.66 0.62862504 -11.969271 2.8852792 1 2307 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 97.66 -0.08198112 -11.083054 1.9730291 1 2308 +ATOM C C . THR B0 2 83 . 83 THR B0 C 98.05 0.81997114 -9.891684 1.6706874 1 2309 +ATOM O O . THR B0 2 83 . 83 THR B0 O 98.44 1.4627174 -9.339825 2.5691934 1 2310 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 97.66 -1.4123882 -10.602552 2.5876567 1 2311 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 96.09 -2.2485318 -11.749393 2.8415892 1 2312 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 96.48 -2.15478 -9.658979 1.6375504 1 2313 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 98.44 0.8920542 -9.506903 0.4029535 1 2314 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 98.44 1.743817 -8.414114 -0.04423369 1 2315 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 98.44 0.90306425 -7.2606854 -0.58568084 1 2316 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 98.44 -0.074527524 -7.4821153 -1.3050566 1 2317 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 98.83 2.7283728 -8.9063225 -1.1089022 1 2318 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 98.83 3.69903 -9.92505 -0.56918377 1 2319 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 98.44 3.3499038 -11.272023 -0.4752295 1 2320 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 98.44 4.9483404 -9.538235 -0.09690659 1 2321 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 98.44 4.219642 -12.204588 0.070297875 1 2322 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 98.44 5.826685 -10.46411 0.45039463 1 2323 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 98.83 5.457104 -11.79535 0.531831 1 2324 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 98.44 6.316045 -12.716423 1.0768876 1 2325 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 98.44 1.2874353 -6.0366735 -0.21813859 1 2326 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 98.83 0.5713067 -4.8374324 -0.64293957 1 2327 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 98.44 1.5120741 -3.8356998 -1.2981093 1 2328 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 98.83 2.6359785 -3.6395593 -0.8310046 1 2329 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 98.83 -0.07449154 -4.130221 0.55937445 1 2330 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 98.83 -1.1677008 -4.901285 1.2549591 1 2331 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 98.44 -0.8882719 -5.6974826 2.3602238 1 2332 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 98.44 -2.489078 -4.816675 0.8247533 1 2333 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 98.05 -1.8951035 -6.3974614 3.0090406 1 2334 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 98.05 -3.4987679 -5.5096793 1.470732 1 2335 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 98.44 -3.197923 -6.294945 2.5630589 1 2336 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 97.66 -4.18279 -6.9841824 3.2010055 1 2337 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 98.83 1.0482253 -3.2024117 -2.3708491 1 2338 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 98.44 1.7760174 -2.0692296 -2.9323606 1 2339 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 98.83 1.105243 -0.80614656 -2.4056604 1 2340 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 98.44 -0.03920248 -0.8406095 -1.937247 1 2341 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 98.44 1.7705646 -2.0913665 -4.467697 1 2342 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 98.05 0.15827012 -2.0855107 -5.2477126 1 2343 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 98.44 1.8267548 0.2999469 -2.4296272 1 2344 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 98.44 1.3239591 1.5629382 -1.9034953 1 2345 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 98.44 1.9198179 2.727704 -2.687244 1 2346 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 98.05 3.1083312 2.7247252 -2.9893742 1 2347 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 98.05 1.6691393 1.7014823 -0.42308855 1 2348 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 97.27 1.3780792 3.0876672 0.17014238 1 2349 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 97.66 2.6460705 3.8571992 0.5014337 1 2350 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 92.58 3.4375825 3.4280484 1.329809 1 2351 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 92.19 2.8556721 4.986704 -0.1647118 1 2352 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 98.05 1.0624945 3.6919394 -3.0322733 1 2353 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 97.66 1.5284059 4.8971176 -3.7055373 1 2354 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 98.05 1.218898 6.1068907 -2.8434522 1 2355 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 97.27 0.2740152 6.08879 -2.0537379 1 2356 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 96.48 0.865067 5.069977 -5.081357 1 2357 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 92.97 -0.63520825 5.3879967 -5.005939 1 2358 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 93.75 -1.2075987 5.9000444 -6.318507 1 2359 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 87.5 -0.6309787 6.777643 -6.951917 1 2360 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 84.77 -2.3371224 5.3335114 -6.72545 1 2361 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 95.7 2.0181613 7.1686835 -2.9900823 1 2362 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 95.31 1.7916596 8.441471 -2.3143125 1 2363 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 94.53 1.903267 9.54138 -3.3638368 1 2364 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 93.75 2.9077895 9.6061 -4.077201 1 2365 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 94.14 2.8221726 8.665924 -1.2004819 1 2366 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 93.75 2.7393045 10.019289 -0.57418895 1 2367 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 92.19 3.7934117 10.917612 -0.68572503 1 2368 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 92.19 1.6109672 10.404043 0.12728764 1 2369 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 90.23 3.710869 12.177433 -0.102915466 1 2370 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 90.23 1.5284108 11.658715 0.71122676 1 2371 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 90.23 2.5808654 12.551214 0.5951916 1 2372 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 92.97 0.8716657 10.377643 -3.4713593 1 2373 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 92.19 0.8168688 11.389406 -4.516218 1 2374 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 92.58 0.82600147 12.839397 -4.0208445 1 2375 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 90.62 0.32486197 13.732439 -4.704545 1 2376 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 89.45 -0.3998731 11.160107 -5.4091277 1 2377 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 83.98 -0.25288206 9.909128 -6.255289 1 2378 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 78.12 0.8550606 9.520315 -6.6203165 1 2379 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 77.34 -1.3681355 9.272306 -6.5828433 1 2380 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 90.23 1.4095304 13.10873 -2.8818843 1 2381 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 89.45 1.6200616 14.480727 -2.4327226 1 2382 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 89.84 0.39469108 15.236132 -1.9479837 1 2383 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 86.72 -0.61261094 14.637678 -1.5695565 1 2384 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 89.45 0.47672248 16.577763 -1.9794507 1 2385 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 89.06 -0.579342 17.444073 -1.4598914 1 2386 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 89.45 -1.556805 17.851858 -2.5606022 1 2387 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 86.33 -1.1195779 18.323444 -3.6101456 1 2388 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 87.11 0.035995148 18.688423 -0.80712247 1 2389 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 85.16 -0.984463 19.568325 -0.11633106 1 2390 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 80.86 -1.7251983 20.503334 -0.838274 1 2391 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 80.86 -1.2258334 19.459091 1.258882 1 2392 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 78.12 -2.6673474 21.297733 -0.21674657 1 2393 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 77.73 -2.1643524 20.25462 1.8887211 1 2394 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 77.73 -2.8807755 21.173233 1.1496472 1 2395 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 75.39 -3.8211215 21.956648 1.759414 1 2396 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 89.45 -2.8946314 17.785099 -2.3191028 1 2397 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 89.84 -3.4615014 17.14868 -1.1289393 1 2398 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 91.41 -3.1311977 15.671353 -1.1322846 1 2399 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 89.84 -3.1248775 15.028046 -2.1886764 1 2400 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 87.5 -4.96509 17.391747 -1.2831415 1 2401 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 84.77 -5.1621165 17.498806 -2.753749 1 2402 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 86.33 -3.9240031 18.194324 -3.270761 1 2403 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 91.8 -2.81752 15.143593 0.05276818 1 2404 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 91.8 -2.3795605 13.753574 0.1532986 1 2405 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 91.8 -3.355909 12.791493 -0.5107573 1 2406 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 88.67 -4.5609894 12.81327 -0.24050571 1 2407 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 90.23 -2.1828868 13.353516 1.6220024 1 2408 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 90.23 -0.88706344 13.836899 2.203021 1 2409 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 82.81 -0.6101336 15.182997 2.370547 1 2410 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 83.2 0.19453311 13.175661 2.656126 1 2411 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 83.98 0.5977768 15.308947 2.8986673 1 2412 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 84.77 1.1052604 14.111853 3.0795865 1 2413 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 93.75 -2.8250585 11.974113 -1.3857992 1 2414 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 94.53 -3.573155 10.926108 -2.0490522 1 2415 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 96.09 -2.7304502 9.656671 -1.9860337 1 2416 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 94.53 -1.9588397 9.355933 -2.8911996 1 2417 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 91.8 -3.8819366 11.302062 -3.504369 1 2418 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 84.77 -4.8500443 12.487663 -3.6615348 1 2419 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 81.25 -6.2725477 12.093932 -3.2728937 1 2420 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 75.0 -7.2416296 13.165431 -3.5344925 1 2421 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 69.92 -7.554627 14.124194 -2.670313 1 2422 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 63.67 -6.959917 14.169212 -1.4710423 1 2423 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 63.67 -8.43355 15.036724 -2.9853883 1 2424 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 96.48 -2.8829288 8.948009 -0.87272215 1 2425 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 96.88 -2.1273012 7.731443 -0.62481844 1 2426 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 96.88 -3.0888886 6.555997 -0.6850741 1 2427 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 96.48 -4.1523647 6.5857925 -0.04638823 1 2428 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 96.48 -1.4578481 7.8128333 0.7546612 1 2429 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 94.53 -0.49783248 6.709454 1.1979289 1 2430 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 92.19 0.45348048 7.254452 2.2636797 1 2431 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 91.8 -1.2340412 5.487477 1.7356551 1 2432 +ATOM N N . THR B0 2 97 . 97 THR B0 N 97.66 -2.7403672 5.5587716 -1.4462876 1 2433 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 98.05 -3.5962923 4.3835917 -1.5609453 1 2434 +ATOM C C . THR B0 2 97 . 97 THR B0 C 98.44 -2.758686 3.100767 -1.5494914 1 2435 +ATOM O O . THR B0 2 97 . 97 THR B0 O 98.05 -1.5972586 3.0982094 -1.9592166 1 2436 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 97.27 -4.442666 4.3929596 -2.8578491 1 2437 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 91.8 -3.5840316 4.5422964 -3.9989595 1 2438 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 91.41 -5.4650297 5.530553 -2.8395631 1 2439 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 98.44 -3.382411 2.0374088 -1.05423 1 2440 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 98.44 -2.7842178 0.7119483 -1.0778804 1 2441 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 98.44 -3.4779892 -0.11448659 -2.151787 1 2442 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 98.05 -4.646923 0.11339204 -2.4656222 1 2443 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 98.44 -2.9771466 -0.0028311235 0.26782647 1 2444 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 98.44 -2.1869333 0.5756941 1.4041004 1 2445 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 98.44 -2.7694106 1.4996504 2.2627602 1 2446 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 98.05 -0.8791294 0.17754817 1.6317337 1 2447 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 98.44 -2.0483675 2.028459 3.3179245 1 2448 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 98.44 -0.15366317 0.7043994 2.6856685 1 2449 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 98.44 -0.7388983 1.6278226 3.5313983 1 2450 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 98.44 -2.738082 -1.0793089 -2.6912782 1 2451 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 98.44 -3.3584895 -2.0356557 -3.598765 1 2452 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 98.44 -4.2282615 -2.9830918 -2.788896 1 2453 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 98.05 -4.1903343 -2.9875627 -1.5579801 1 2454 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 98.05 -5.0023537 -3.7927418 -3.4705212 1 2455 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 97.66 -5.9077215 -4.7250576 -2.805459 1 2456 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 98.44 -5.2416506 -5.892849 -2.11921 1 2457 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 97.66 -5.8804326 -6.604582 -1.3396802 1 2458 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 98.05 -3.9731498 -6.1014256 -2.3949509 1 2459 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 98.05 -3.2223625 -7.1853285 -1.7721351 1 2460 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 98.44 -3.145545 -8.443268 -2.6165812 1 2461 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 98.05 -4.0167274 -8.70264 -3.4546843 1 2462 +ATOM N N . THR B0 2 102 . 102 THR B0 N 98.05 -2.0767436 -9.195871 -2.3964155 1 2463 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 98.05 -1.8886466 -10.488686 -3.041224 1 2464 +ATOM C C . THR B0 2 102 . 102 THR B0 C 98.05 -1.5031686 -11.479315 -1.9417878 1 2465 +ATOM O O . THR B0 2 102 . 102 THR B0 O 98.05 -0.486174 -11.296016 -1.2667229 1 2466 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 98.44 -0.76310754 -10.450188 -4.0957174 1 2467 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 97.66 -1.1485251 -9.599294 -5.1804156 1 2468 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 97.66 -0.48621023 -11.860054 -4.636939 1 2469 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 97.27 -2.3270774 -12.504175 -1.7503661 1 2470 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 97.27 -2.0391579 -13.51204 -0.7442614 1 2471 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 97.27 -1.2853026 -14.667305 -1.3955035 1 2472 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 96.88 -1.7881894 -15.289002 -2.3345666 1 2473 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 96.09 -3.329887 -14.018897 -0.08925213 1 2474 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 91.02 -3.073668 -14.930515 1.103615 1 2475 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 88.28 -4.3758864 -15.290844 1.8142612 1 2476 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 80.47 -4.0878825 -16.125334 3.0611193 1 2477 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 72.66 -5.326301 -16.477879 3.7777333 1 2478 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 97.27 -0.0802961 -14.915215 -0.90685225 1 2479 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 97.27 0.7427386 -16.000072 -1.4354595 1 2480 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 97.27 0.5745591 -17.192112 -0.50831497 1 2481 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 96.48 0.94620395 -17.129791 0.6697566 1 2482 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 97.27 2.2294397 -15.594472 -1.5286522 1 2483 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 96.48 3.0574255 -16.752712 -2.0626042 1 2484 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 96.48 2.3806858 -14.357156 -2.4234858 1 2485 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 97.27 -0.009996427 -18.260918 -1.0313318 1 2486 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 96.88 -0.28805727 -19.461277 -0.2537561 1 2487 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 96.88 0.51573044 -20.651506 -0.7724315 1 2488 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 96.48 1.05603 -20.622902 -1.880167 1 2489 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 95.7 -1.7847002 -19.784327 -0.29363823 1 2490 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 89.45 -2.6532025 -18.691998 0.3040209 1 2491 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 87.5 -4.132783 -19.021198 0.26559842 1 2492 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 82.81 -4.6811547 -19.461834 1.2895925 1 2493 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 83.59 -4.747464 -18.834099 -0.8110508 1 2494 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 96.48 0.58959496 -21.69415 0.060951862 1 2495 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 96.09 1.3700442 -22.879185 -0.27056363 1 2496 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 96.48 0.561613 -23.819016 -1.1678598 1 2497 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 96.09 -0.5924072 -24.119297 -0.8751851 1 2498 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 94.53 1.7917199 -23.62742 1.006878 1 2499 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 87.5 2.534266 -22.683859 1.9575489 1 2500 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 87.11 2.6551347 -24.848389 0.6493621 1 2501 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 78.52 2.7039504 -23.240929 3.3729978 1 2502 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 96.09 1.1871908 -24.274094 -2.239901 1 2503 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 96.09 0.5424798 -25.221182 -3.1365523 1 2504 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 96.09 0.91287804 -26.641485 -2.731384 1 2505 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 94.92 2.0750484 -26.922592 -2.423974 1 2506 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 94.92 0.949684 -24.971882 -4.5974917 1 2507 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 88.67 0.20393883 -25.858688 -5.590472 1 2508 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 85.55 0.4968427 -25.455128 -7.028494 1 2509 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 78.12 -0.34928587 -26.266956 -7.9989824 1 2510 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 71.09 -0.15606335 -25.817652 -9.394272 1 2511 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 96.09 -0.07126788 -27.518066 -2.7165627 1 2512 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 96.09 0.13792816 -28.9234 -2.4072165 1 2513 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 96.48 -0.82282805 -29.740074 -3.2537882 1 2514 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 95.7 -1.6230998 -29.173317 -4.0090084 1 2515 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 94.92 -0.08104987 -29.211258 -0.9130451 1 2516 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 92.97 -1.4754784 -28.854828 -0.3866557 1 2517 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 92.58 -1.8787215 -29.752846 0.774516 1 2518 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 91.8 -2.2161407 -31.08229 0.2960358 1 2519 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 92.97 -2.1414592 -32.190742 1.0194628 1 2520 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 87.89 -1.7471607 -32.12371 2.2864919 1 2521 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 89.06 -2.4690533 -33.358833 0.48284382 1 2522 +ATOM N N . THR B0 2 109 . 109 THR B0 N 96.88 -0.774668 -31.061058 -3.1372037 1 2523 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 96.48 -1.6702763 -31.920664 -3.9027936 1 2524 +ATOM C C . THR B0 2 109 . 109 THR B0 C 96.88 -3.0913327 -31.807388 -3.3662953 1 2525 +ATOM O O . THR B0 2 109 . 109 THR B0 O 96.48 -3.3078804 -31.481855 -2.1945758 1 2526 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 95.31 -1.2168684 -33.396866 -3.8387668 1 2527 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 91.02 -1.1724124 -33.818504 -2.4704478 1 2528 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 89.45 0.15650767 -33.577534 -4.4757423 1 2529 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 97.66 -4.0509243 -32.065956 -4.2506795 1 2530 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 98.05 -5.45639 -31.991879 -3.863655 1 2531 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 98.05 -5.7470093 -33.018784 -2.7736025 1 2532 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 97.27 -5.291416 -34.15976 -2.8451395 1 2533 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 97.66 -6.3809958 -32.228813 -5.08086 1 2534 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 95.31 -7.8425097 -32.270363 -4.6523614 1 2535 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 94.92 -6.168771 -31.137447 -6.1290936 1 2536 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 98.44 -6.489089 -32.598278 -1.7654364 1 2537 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 98.05 -6.869715 -33.47901 -0.6681701 1 2538 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 98.44 -8.358261 -33.275105 -0.38514572 1 2539 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 98.44 -8.7913685 -32.15445 -0.10520089 1 2540 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 97.66 -6.0451407 -33.17675 0.5822703 1 2541 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 98.05 -9.12439 -34.355087 -0.48780715 1 2542 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 98.05 -10.561508 -34.280457 -0.23880608 1 2543 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 98.05 -10.83989 -34.139805 1.2577689 1 2544 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 97.66 -10.105864 -34.682938 2.0848856 1 2545 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 97.66 -11.2565775 -35.528046 -0.77981114 1 2546 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 98.05 -11.8972645 -33.398163 1.6159703 1 2547 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 98.05 -12.202038 -33.237457 3.0390415 1 2548 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 98.05 -12.866579 -34.47306 3.6305141 1 2549 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 97.66 -13.591501 -35.20065 2.9371576 1 2550 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 97.66 -13.175786 -32.05073 3.059236 1 2551 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 96.88 -13.8989725 -32.167133 1.7547704 1 2552 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 97.66 -12.832876 -32.61763 0.769825 1 2553 +ATOM N N . SER B0 2 114 . 114 SER B0 N 96.88 -12.60033 -34.70028 4.903287 1 2554 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 96.48 -13.3467245 -35.705345 5.6589556 1 2555 +ATOM C C . SER B0 2 114 . 114 SER B0 C 97.27 -14.519814 -34.906807 6.215678 1 2556 +ATOM O O . SER B0 2 114 . 114 SER B0 O 96.88 -14.318989 -33.837784 6.8204536 1 2557 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 95.7 -12.500883 -36.290813 6.787546 1 2558 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 90.62 -11.362297 -36.970085 6.2669535 1 2559 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 96.88 -15.7435875 -35.39235 6.004563 1 2560 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 96.88 -16.937859 -34.651115 6.3902464 1 2561 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 96.48 -17.639652 -35.289444 7.589816 1 2562 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 96.09 -17.849195 -36.502693 7.6292553 1 2563 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 97.27 -17.920471 -34.525246 5.2019053 1 2564 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 96.48 -19.107014 -33.63719 5.565954 1 2565 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 96.48 -17.203941 -33.976204 3.9690228 1 2566 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 97.27 -17.995358 -34.446114 8.561485 1 2567 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 96.88 -18.695911 -34.88952 9.763159 1 2568 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 97.66 -19.849293 -33.937325 10.040756 1 2569 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 97.27 -19.74402 -32.73881 9.775278 1 2570 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 96.48 -17.749905 -34.903694 10.978197 1 2571 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 95.31 -16.495594 -35.70541 10.7715225 1 2572 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 94.14 -15.352607 -35.113007 10.256137 1 2573 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 93.75 -16.455364 -37.048313 11.107819 1 2574 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 92.58 -14.189266 -35.849533 10.067892 1 2575 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 92.58 -15.296929 -37.789307 10.928032 1 2576 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 92.58 -14.162251 -37.1885 10.402906 1 2577 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 96.88 -20.960886 -34.482117 10.575437 1 2578 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 96.88 -22.088852 -33.62889 10.938789 1 2579 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 96.88 -22.430105 -33.864426 12.409475 1 2580 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 96.48 -22.365862 -34.99639 12.904956 1 2581 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 97.27 -23.324379 -33.88231 10.033414 1 2582 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 96.48 -24.421898 -32.84086 10.298816 1 2583 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 96.09 -23.85876 -35.3069 10.214193 1 2584 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 95.7 -25.538744 -32.83014 9.249023 1 2585 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 97.27 -22.74179 -32.786224 13.119751 1 2586 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 97.66 -23.054253 -32.86444 14.54583 1 2587 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 97.66 -24.432692 -32.272034 14.818741 1 2588 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 97.27 -24.669239 -31.102503 14.501718 1 2589 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 97.27 -22.016333 -32.090687 15.373444 1 2590 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 97.27 -20.607319 -32.574207 15.209633 1 2591 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 96.88 -19.753546 -31.982883 14.289936 1 2592 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 96.88 -20.13652 -33.61155 15.987846 1 2593 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 96.88 -18.450565 -32.427845 14.1486635 1 2594 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 96.88 -18.835049 -34.05983 15.850771 1 2595 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 96.88 -17.988642 -33.47102 14.926043 1 2596 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 97.27 -25.363 -33.065735 15.404749 1 2597 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 96.88 -26.678162 -32.51757 15.760889 1 2598 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 97.66 -26.540916 -31.544476 16.931282 1 2599 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 97.27 -25.511747 -31.542475 17.613512 1 2600 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 96.48 -27.48106 -33.75726 16.184109 1 2601 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 94.53 -26.706182 -34.930614 15.667501 1 2602 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 96.09 -25.264948 -34.488354 15.685137 1 2603 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 97.66 -27.564043 -30.71751 17.171322 1 2604 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 97.66 -27.488811 -29.8455 18.348427 1 2605 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 97.27 -27.531967 -30.697004 19.61333 1 2606 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 96.88 -28.149433 -31.77008 19.631268 1 2607 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 97.27 -28.742258 -28.960346 18.225021 1 2608 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 96.48 -29.67976 -29.749996 17.378672 1 2609 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 97.27 -28.804482 -30.49603 16.407127 1 2610 +ATOM N N . SER B0 2 121 . 121 SER B0 N 97.66 -26.86088 -30.224089 20.664341 1 2611 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 96.88 -26.869503 -30.957373 21.923983 1 2612 +ATOM C C . SER B0 2 121 . 121 SER B0 C 97.27 -28.197075 -30.759022 22.640038 1 2613 +ATOM O O . SER B0 2 121 . 121 SER B0 O 96.88 -28.886087 -29.754454 22.434334 1 2614 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 96.88 -25.728033 -30.469818 22.826885 1 2615 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 96.09 -25.949688 -29.123573 23.217123 1 2616 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 96.48 -28.545729 -31.717747 23.470188 1 2617 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 96.09 -29.773136 -31.588606 24.25864 1 2618 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 96.88 -29.670803 -30.37867 25.180517 1 2619 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 96.09 -30.66998 -29.703476 25.43259 1 2620 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 95.31 -30.015266 -32.855034 25.084902 1 2621 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 89.84 -30.446663 -34.0322 24.228514 1 2622 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 86.33 -31.035345 -33.80709 23.155628 1 2623 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 85.16 -30.194637 -35.18564 24.639668 1 2624 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 97.27 -28.461939 -30.106712 25.665268 1 2625 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 97.27 -28.23743 -28.96415 26.541908 1 2626 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 97.27 -28.584024 -27.65803 25.83537 1 2627 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 96.88 -29.222277 -26.77565 26.409016 1 2628 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 96.48 -26.779373 -28.940659 27.020128 1 2629 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 84.77 -26.47514 -27.780083 27.96582 1 2630 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 78.91 -25.030727 -27.747759 28.420197 1 2631 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 72.27 -24.260912 -28.660526 28.05647 1 2632 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 71.88 -24.650301 -26.797533 29.139778 1 2633 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 98.05 -28.160742 -27.52235 24.570942 1 2634 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 97.66 -28.4539 -26.295301 23.837774 1 2635 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 98.05 -29.94429 -26.166395 23.555077 1 2636 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 97.66 -30.497213 -25.070393 23.633602 1 2637 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 97.66 -27.678322 -26.235558 22.51693 1 2638 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 97.27 -27.92685 -24.918028 21.7934 1 2639 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 97.27 -27.361458 -24.852938 20.3979 1 2640 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 94.53 -27.182438 -25.885902 19.748066 1 2641 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 93.36 -27.094913 -23.646233 19.920065 1 2642 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 98.05 -30.59275 -27.271385 23.221186 1 2643 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 97.27 -32.010654 -27.230091 22.899263 1 2644 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 97.27 -32.841217 -26.677738 24.053951 1 2645 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 97.27 -33.878517 -26.046658 23.821505 1 2646 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 97.27 -32.51305 -28.624731 22.505259 1 2647 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 95.31 -32.020683 -29.123127 21.145763 1 2648 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 93.75 -32.430355 -30.579302 20.930233 1 2649 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 93.36 -32.559486 -28.238739 20.026253 1 2650 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 97.27 -32.387672 -26.895304 25.292522 1 2651 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 96.88 -33.087772 -26.363808 26.454746 1 2652 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 97.27 -33.09563 -24.843729 26.463446 1 2653 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 95.31 -33.979507 -24.230759 27.062393 1 2654 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 95.7 -32.450577 -26.878462 27.751621 1 2655 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 85.16 -32.609344 -28.36533 27.969906 1 2656 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 80.47 -31.949305 -28.779457 29.27824 1 2657 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 71.48 -32.08954 -30.26992 29.51058 1 2658 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 64.06 -31.44162 -30.695465 30.776985 1 2659 +ATOM N N . SER B0 2 127 . 127 SER B0 N 96.88 -32.12683 -24.230982 25.76739 1 2660 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 96.09 -32.027737 -22.775852 25.721195 1 2661 +ATOM C C . SER B0 2 127 . 127 SER B0 C 96.48 -32.876717 -22.170988 24.607239 1 2662 +ATOM O O . SER B0 2 127 . 127 SER B0 O 94.53 -32.971603 -20.946062 24.500488 1 2663 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 94.14 -30.57793 -22.346169 25.556065 1 2664 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 83.98 -30.096527 -22.67833 24.27297 1 2665 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 96.88 -33.506893 -23.010963 23.78439 1 2666 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 96.48 -34.396446 -22.53595 22.739452 1 2667 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 96.88 -33.79332 -22.374023 21.363892 1 2668 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 96.09 -34.47895 -21.904953 20.44881 1 2669 +ATOM N N . THR B0 2 129 . 129 THR B0 N 97.66 -32.538765 -22.762058 21.182545 1 2670 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 97.66 -31.881271 -22.65002 19.885183 1 2671 +ATOM C C . THR B0 2 129 . 129 THR B0 C 98.05 -31.201397 -23.961124 19.523554 1 2672 +ATOM O O . THR B0 2 129 . 129 THR B0 O 97.27 -30.797134 -24.709959 20.406971 1 2673 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 96.48 -30.850998 -21.51127 19.88654 1 2674 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 85.55 -31.507214 -20.289742 20.218304 1 2675 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 83.2 -30.192766 -21.35608 18.517544 1 2676 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 98.05 -31.083626 -24.215256 18.217075 1 2677 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 98.05 -30.435183 -25.426617 17.742653 1 2678 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 98.05 -29.348385 -25.055916 16.739107 1 2679 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 98.05 -29.626621 -24.385391 15.738444 1 2680 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 98.05 -31.456444 -26.35661 17.09161 1 2681 +ATOM N N . SER B0 2 131 . 131 SER B0 N 98.05 -28.107824 -25.486252 17.018568 1 2682 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 98.44 -26.992964 -25.273024 16.106972 1 2683 +ATOM C C . SER B0 2 131 . 131 SER B0 C 98.44 -26.550013 -26.628115 15.568478 1 2684 +ATOM O O . SER B0 2 131 . 131 SER B0 O 98.44 -26.231186 -27.525043 16.344635 1 2685 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 98.05 -25.82156 -24.595968 16.816532 1 2686 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 96.88 -26.158129 -23.290379 17.255634 1 2687 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 98.44 -26.580303 -26.749268 14.247566 1 2688 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 98.05 -26.127598 -27.9796 13.608075 1 2689 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 98.44 -24.789852 -27.643055 12.957955 1 2690 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 98.44 -24.681976 -26.641735 12.232355 1 2691 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 98.05 -27.127724 -28.471191 12.535213 1 2692 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 97.66 -26.788673 -29.892677 12.112427 1 2693 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 96.88 -28.567394 -28.405308 13.069017 1 2694 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 98.44 -23.772343 -28.46001 13.228448 1 2695 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 98.44 -22.430729 -28.163837 12.744879 1 2696 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 98.05 -21.955976 -29.20084 11.730476 1 2697 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 98.44 -22.080564 -30.407675 11.959294 1 2698 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 98.44 -21.42807 -28.07568 13.913319 1 2699 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 97.66 -20.006788 -27.852116 13.392672 1 2700 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 97.66 -21.832226 -26.952366 14.865919 1 2701 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 98.44 -21.414467 -28.691513 10.612077 1 2702 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 98.44 -20.825562 -29.551903 9.590449 1 2703 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 98.44 -19.337257 -29.232178 9.546234 1 2704 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 98.44 -18.951826 -28.060966 9.441382 1 2705 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 98.05 -21.464214 -29.291086 8.229301 1 2706 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 96.88 -20.950508 -30.41905 6.938817 1 2707 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 98.05 -18.498024 -30.260849 9.655096 1 2708 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 98.05 -17.046421 -30.095219 9.655827 1 2709 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 98.05 -16.438816 -30.698433 8.393199 1 2710 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 98.05 -16.718529 -31.85743 8.060394 1 2711 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 98.05 -16.440578 -30.77132 10.893105 1 2712 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 97.66 -14.913776 -30.951466 10.89851 1 2713 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 96.48 -14.489808 -31.838842 12.06341 1 2714 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 96.88 -14.201933 -29.600655 10.962368 1 2715 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 98.44 -15.625905 -29.900452 7.6998167 1 2716 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 98.44 -14.862446 -30.364986 6.5448723 1 2717 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 98.44 -13.4133415 -30.319048 6.996271 1 2718 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 98.05 -12.877007 -29.223694 7.2393923 1 2719 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 98.44 -15.06348 -29.430119 5.3489165 1 2720 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 98.44 -16.367222 -29.49503 4.5625186 1 2721 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 97.66 -17.558525 -29.095676 5.4138794 1 2722 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 96.88 -16.279526 -28.616005 3.32318 1 2723 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 98.05 -12.802085 -31.474346 7.146417 1 2724 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 98.05 -11.473512 -31.538158 7.743152 1 2725 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 98.05 -10.338013 -31.8434 6.772623 1 2726 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 97.66 -10.443116 -32.77036 5.9536924 1 2727 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 97.66 -11.468315 -32.586304 8.859858 1 2728 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 94.14 -10.441475 -32.306114 9.931119 1 2729 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 85.94 -10.353849 -31.18159 10.442556 1 2730 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 85.55 -9.687428 -33.303997 10.299206 1 2731 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 98.05 -9.268389 -31.061495 6.871558 1 2732 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 98.05 -8.004959 -31.26779 6.1845694 1 2733 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 98.05 -8.138955 -31.459347 4.674202 1 2734 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 97.66 -7.866153 -32.533936 4.1397915 1 2735 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 97.66 -7.2422657 -32.4394 6.8160686 1 2736 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 96.48 -6.9154615 -32.198288 8.273899 1 2737 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 87.11 -7.4157457 -32.893654 9.164321 1 2738 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 85.16 -6.079718 -31.207436 8.534006 1 2739 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 98.44 -8.513965 -30.385849 3.9922523 1 2740 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 98.44 -8.668597 -30.434288 2.5447192 1 2741 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 98.44 -7.8231535 -29.378754 1.8367927 1 2742 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 98.44 -7.309497 -28.4486 2.459904 1 2743 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 98.44 -10.147568 -30.274597 2.1439679 1 2744 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 98.44 -10.771412 -28.980392 2.5930328 1 2745 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 98.44 -11.386848 -28.88638 3.8338885 1 2746 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 98.44 -10.759302 -27.866241 1.768224 1 2747 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 98.05 -11.977568 -27.691021 4.242807 1 2748 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 98.05 -11.347765 -26.677227 2.1737986 1 2749 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 98.44 -11.959542 -26.586166 3.408338 1 2750 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 98.05 -7.663184 -29.550983 0.5393914 1 2751 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 98.05 -6.9494743 -28.623661 -0.33684796 1 2752 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 98.05 -7.409938 -28.852957 -1.7611408 1 2753 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 97.66 -7.5372124 -30.000465 -2.1746829 1 2754 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 98.05 -5.4275627 -28.826038 -0.23255566 1 2755 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 97.66 -4.6656976 -27.779932 -1.0128454 1 2756 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 96.88 -4.4110355 -27.947649 -2.3777156 1 2757 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 96.88 -4.2503834 -26.596146 -0.40818557 1 2758 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 96.88 -3.774163 -26.971638 -3.1072116 1 2759 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 96.48 -3.6050444 -25.61319 -1.1421819 1 2760 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 96.88 -3.3685968 -25.802807 -2.4871066 1 2761 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 95.31 -2.7497165 -24.83683 -3.2024992 1 2762 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 97.27 -7.6737537 -27.795126 -2.5239825 1 2763 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 97.27 -7.532401 -26.371494 -2.2143085 1 2764 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 97.66 -8.637552 -25.832237 -1.3177768 1 2765 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 97.27 -9.545416 -26.578947 -0.92853177 1 2766 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 96.48 -7.5798864 -25.730637 -3.609065 1 2767 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 95.31 -8.437119 -26.648869 -4.403536 1 2768 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 96.48 -8.074124 -28.031706 -3.9164023 1 2769 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 96.88 -8.54471 -24.562346 -0.9739382 1 2770 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 96.88 -9.440747 -23.930199 -0.013924735 1 2771 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 97.27 -10.892581 -23.866978 -0.4754188 1 2772 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 96.88 -11.810002 -23.927738 0.34697732 1 2773 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 95.31 -8.932468 -22.52071 0.2926864 1 2774 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 89.06 -9.653481 -21.811003 1.4210057 1 2775 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 86.33 -8.9945545 -20.463089 1.6652665 1 2776 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 82.03 -9.446013 -19.80838 2.8836775 1 2777 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 77.73 -10.49347 -18.992641 2.9374897 1 2778 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 72.27 -11.198345 -18.725327 1.8374804 1 2779 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 72.27 -10.845532 -18.438557 4.0863605 1 2780 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 97.27 -11.102832 -23.777763 -1.8016596 1 2781 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 96.88 -12.450076 -23.635925 -2.3499162 1 2782 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 97.66 -13.284639 -24.872963 -2.0680356 1 2783 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 96.88 -12.914936 -25.98808 -2.4528828 1 2784 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 95.7 -12.403801 -23.369892 -3.8574743 1 2785 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 87.11 -11.84827 -22.002811 -4.232703 1 2786 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 82.42 -10.358283 -21.869316 -4.019018 1 2787 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 75.0 -9.903418 -20.73963 -3.7462535 1 2788 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 75.39 -9.63303 -22.87946 -4.111761 1 2789 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 98.05 -14.392542 -24.680523 -1.3857198 1 2790 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 98.44 -15.320898 -25.759146 -1.0612807 1 2791 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 98.05 -16.717571 -25.172098 -0.9387645 1 2792 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 98.05 -16.875927 -24.002369 -0.5986109 1 2793 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 98.05 -14.930754 -26.455582 0.2474361 1 2794 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 98.44 -17.716084 -26.002958 -1.2508082 1 2795 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 98.44 -19.099348 -25.551334 -1.1711514 1 2796 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 98.44 -19.8655 -26.422342 -0.18870062 1 2797 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 98.05 -19.803627 -27.651852 -0.27048525 1 2798 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 97.66 -19.767546 -25.611 -2.55423 1 2799 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 91.8 -21.219048 -25.154732 -2.5672843 1 2800 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 87.5 -21.793678 -25.255138 -3.9788735 1 2801 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 77.73 -23.25625 -24.823368 -4.0127435 1 2802 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 69.14 -23.815437 -24.937725 -5.3721 1 2803 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 98.44 -20.559208 -25.768404 0.74505746 1 2804 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 98.83 -21.365883 -26.475912 1.7332045 1 2805 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 98.83 -22.814753 -26.032269 1.569027 1 2806 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 98.05 -23.110699 -24.835976 1.5882502 1 2807 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 98.44 -20.897472 -26.181828 3.1773071 1 2808 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 95.7 -21.802332 -26.903141 4.179274 1 2809 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 95.31 -19.444794 -26.600676 3.3674989 1 2810 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 98.44 -23.698421 -26.999908 1.3825506 1 2811 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 98.44 -25.118816 -26.700792 1.2673779 1 2812 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 98.44 -25.876602 -27.45263 2.353246 1 2813 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 98.44 -25.637453 -28.648209 2.5587523 1 2814 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 98.05 -25.661959 -27.093458 -0.10567817 1 2815 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 88.67 -25.245285 -26.16705 -1.2229868 1 2816 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 87.11 -26.01699 -26.436512 -2.500934 1 2817 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 77.73 -26.03997 -27.569769 -2.9890983 1 2818 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 75.0 -26.659224 -25.408907 -3.0389242 1 2819 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 98.83 -26.763016 -26.753677 3.0161881 1 2820 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 98.83 -27.57917 -27.358688 4.0504174 1 2821 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 98.44 -28.948788 -27.715212 3.4841924 1 2822 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 98.05 -29.550226 -26.935442 2.7340991 1 2823 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 98.44 -27.746653 -26.403751 5.241428 1 2824 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 98.44 -26.552452 -26.317116 6.1341863 1 2825 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 98.44 -25.610706 -25.341766 6.142511 1 2826 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 98.44 -26.181393 -27.239367 7.159925 1 2827 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 98.05 -24.669352 -25.588173 7.115056 1 2828 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 98.44 -24.99848 -26.745869 7.7525873 1 2829 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 98.44 -26.736637 -28.432503 7.636462 1 2830 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 98.44 -24.35567 -27.411955 8.796544 1 2831 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 98.05 -26.09676 -29.091711 8.672166 1 2832 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 98.05 -24.919998 -28.581997 9.241016 1 2833 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 98.44 -29.422413 -28.892948 3.844615 1 2834 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 98.44 -30.751312 -29.34665 3.4338546 1 2835 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 98.44 -31.517122 -29.80461 4.6691823 1 2836 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 98.05 -30.998934 -30.599922 5.4568577 1 2837 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 98.05 -30.66098 -30.500849 2.4264154 1 2838 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 94.53 -30.043127 -30.115612 1.0947995 1 2839 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 91.8 -29.965979 -31.3461 0.17514727 1 2840 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 83.59 -29.344053 -30.979504 -1.1617937 1 2841 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 76.56 -29.204258 -32.172573 -2.0323267 1 2842 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 98.44 -32.726402 -29.290127 4.8150597 1 2843 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 98.44 -33.592472 -29.688145 5.922514 1 2844 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 98.44 -34.841522 -30.284481 5.288327 1 2845 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 98.05 -35.610832 -29.584072 4.624674 1 2846 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 98.05 -33.95538 -28.481548 6.814871 1 2847 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 96.88 -34.905743 -28.927666 7.9287777 1 2848 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 96.48 -32.6942 -27.857376 7.4048805 1 2849 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 98.05 -35.029236 -31.600983 5.463789 1 2850 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 97.66 -36.094933 -32.34623 4.7961082 1 2851 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 97.66 -36.062862 -32.043854 3.2973082 1 2852 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 96.88 -37.088966 -31.76694 2.6693606 1 2853 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 97.27 -37.470512 -32.005413 5.393054 1 2854 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 96.88 -37.693687 -32.653793 6.7511134 1 2855 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 94.92 -36.974586 -33.621315 7.081792 1 2856 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 94.53 -38.58215 -32.19242 7.495252 1 2857 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 97.27 -34.85553 -32.06688 2.7561631 1 2858 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 96.88 -34.559258 -31.864119 1.3402905 1 2859 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 97.27 -34.776207 -30.437565 0.83680415 1 2860 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 96.09 -34.659058 -30.192036 -0.37211972 1 2861 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 95.7 -35.345863 -32.84205 0.46446085 1 2862 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 86.72 -34.89881 -34.27648 0.65576494 1 2863 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 77.34 -33.697884 -34.550373 0.6995429 1 2864 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 75.39 -35.855873 -35.192482 0.7803108 1 2865 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 98.05 -35.05198 -29.510563 1.7256786 1 2866 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 98.05 -35.21864 -28.109783 1.3432192 1 2867 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 98.44 -33.88881 -27.376492 1.5415766 1 2868 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 97.66 -33.33718 -27.360046 2.6426878 1 2869 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 97.66 -36.31115 -27.45212 2.1625378 1 2870 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 98.05 -33.369175 -26.777378 0.4619428 1 2871 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 98.05 -32.104385 -26.04699 0.5309545 1 2872 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 98.44 -32.246685 -24.827087 1.4390769 1 2873 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 97.66 -33.222637 -24.07896 1.3420906 1 2874 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 97.66 -31.669594 -25.603386 -0.86987007 1 2875 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 93.36 -31.225288 -26.711529 -1.8240683 1 2876 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 89.45 -30.973421 -26.140484 -3.21699 1 2877 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 88.67 -29.973106 -27.392242 -1.2994597 1 2878 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 98.05 -31.259861 -24.64864 2.2906113 1 2879 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 98.05 -31.273647 -23.541462 3.236208 1 2880 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 98.05 -30.480206 -22.35699 2.7066624 1 2881 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 97.27 -29.5331 -22.525654 1.9218581 1 2882 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 97.66 -30.697659 -23.965218 4.584878 1 2883 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 96.88 -31.408804 -25.165249 5.1757174 1 2884 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 96.88 -32.848366 -24.85342 5.5324316 1 2885 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 92.19 -33.12353 -24.01632 6.370493 1 2886 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 91.02 -33.790627 -25.498295 4.8649216 1 2887 +ATOM N N . SER B0 2 156 . 156 SER B0 N 96.88 -30.872822 -21.165478 3.135254 1 2888 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 96.09 -30.138153 -19.962044 2.7759767 1 2889 +ATOM C C . SER B0 2 156 . 156 SER B0 C 96.48 -30.311756 -18.915857 3.8734767 1 2890 +ATOM O O . SER B0 2 156 . 156 SER B0 O 93.75 -31.397625 -18.78447 4.4455047 1 2891 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 94.53 -30.620531 -19.407272 1.4302874 1 2892 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 83.2 -31.966816 -18.970686 1.5052092 1 2893 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 96.09 -29.24055 -18.210312 4.1667223 1 2894 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 96.09 -29.278687 -17.13428 5.140312 1 2895 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 96.48 -29.289846 -17.537842 6.595785 1 2896 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 94.53 -29.381006 -16.666393 7.466839 1 2897 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 97.66 -29.190483 -18.818022 6.87251 1 2898 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 97.27 -29.219719 -19.267887 8.265298 1 2899 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 98.05 -28.005669 -20.099165 8.664818 1 2900 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 97.27 -28.063343 -20.885517 9.60726 1 2901 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 96.88 -30.510614 -20.047028 8.562632 1 2902 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 96.48 -30.747362 -21.202251 7.602092 1 2903 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 92.97 -29.965675 -21.434093 6.6731424 1 2904 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 92.97 -31.835566 -21.935558 7.8095064 1 2905 +ATOM N N . SER B0 2 159 . 159 SER B0 N 98.44 -26.915007 -19.90726 7.942109 1 2906 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 98.05 -25.682978 -20.610443 8.285709 1 2907 +ATOM C C . SER B0 2 159 . 159 SER B0 C 98.05 -24.48275 -19.684177 8.133989 1 2908 +ATOM O O . SER B0 2 159 . 159 SER B0 O 98.05 -24.531618 -18.698223 7.3917074 1 2909 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 98.05 -25.49975 -21.857246 7.412188 1 2910 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 96.48 -25.344166 -21.522284 6.0506268 1 2911 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 98.44 -23.430637 -19.998032 8.866116 1 2912 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 98.05 -22.19682 -19.22607 8.80755 1 2913 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 98.44 -21.007051 -20.171408 8.745597 1 2914 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 98.44 -21.003613 -21.210808 9.410173 1 2915 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 97.66 -22.065119 -18.306126 10.024088 1 2916 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 93.75 -23.039597 -17.14288 10.027641 1 2917 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 94.14 -22.758766 -16.17627 11.163078 1 2918 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 86.33 -23.014221 -16.4837 12.324808 1 2919 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 84.77 -22.202225 -15.016922 10.834562 1 2920 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 98.05 -20.005749 -19.78963 7.940648 1 2921 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 98.05 -18.799854 -20.59784 7.786811 1 2922 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 98.44 -17.588446 -19.927761 8.417658 1 2923 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 98.05 -17.522812 -18.703714 8.513151 1 2924 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 97.66 -18.494904 -20.834023 6.2972846 1 2925 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 94.53 -19.469177 -21.762703 5.6011214 1 2926 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 96.48 -19.067911 -22.044485 4.1580334 1 2927 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 94.14 -19.750843 -22.853275 3.4965754 1 2928 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 94.53 -18.066017 -21.467014 3.6743684 1 2929 +ATOM N N . SER B0 2 162 . 162 SER B0 N 98.05 -16.642467 -20.75895 8.812983 1 2930 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 98.05 -15.369268 -20.27446 9.326614 1 2931 +ATOM C C . SER B0 2 162 . 162 SER B0 C 98.05 -14.298981 -21.235731 8.824836 1 2932 +ATOM O O . SER B0 2 162 . 162 SER B0 O 98.05 -14.507536 -22.453737 8.832582 1 2933 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 97.66 -15.379427 -20.232674 10.85638 1 2934 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 95.31 -14.166304 -19.680779 11.356323 1 2935 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 97.27 -13.183127 -20.686914 8.359503 1 2936 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 97.27 -12.109627 -21.510017 7.80972 1 2937 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 96.88 -10.808353 -21.234888 8.558237 1 2938 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 96.88 -10.495339 -20.080303 8.867287 1 2939 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 96.48 -11.908754 -21.226479 6.3028665 1 2940 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 94.92 -10.912291 -22.201706 5.6947412 1 2941 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 94.92 -13.239762 -21.310305 5.5658917 1 2942 +ATOM N N . THR B0 2 164 . 164 THR B0 N 96.88 -10.057111 -22.288998 8.818222 1 2943 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 97.27 -8.77272 -22.13358 9.490031 1 2944 +ATOM C C . THR B0 2 164 . 164 THR B0 C 96.88 -7.7409935 -21.566555 8.52115 1 2945 +ATOM O O . THR B0 2 164 . 164 THR B0 O 96.48 -7.9247794 -21.592648 7.301791 1 2946 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 97.27 -8.237685 -23.485157 10.0008545 1 2947 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 97.27 -8.105314 -24.389809 8.895773 1 2948 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 96.88 -9.154066 -24.087147 11.050211 1 2949 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 95.7 -6.63745 -21.06163 9.0732355 1 2950 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 95.31 -5.508036 -20.665432 8.259983 1 2951 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 96.09 -4.8790426 -21.946392 7.718384 1 2952 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 95.7 -5.0724754 -23.027294 8.281477 1 2953 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 92.97 -4.4795446 -19.89257 9.0977 1 2954 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 83.2 -4.9282703 -18.487686 9.498829 1 2955 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 77.73 -5.0710096 -17.567768 8.309073 1 2956 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 71.09 -6.081536 -16.846733 8.240438 1 2957 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 69.92 -4.176061 -17.567696 7.4369144 1 2958 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 95.31 -4.154496 -21.816313 6.634988 1 2959 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 95.31 -3.510508 -22.981071 6.039212 1 2960 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 94.92 -2.568903 -23.630562 7.0546184 1 2961 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 94.14 -1.7566093 -22.954838 7.6904163 1 2962 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 95.31 -2.74175 -22.564188 4.7846127 1 2963 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 94.53 -2.3015494 -23.731274 3.9265919 1 2964 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 94.92 -1.7380227 -23.290768 2.5911882 1 2965 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 92.19 -1.1622176 -22.207048 2.4703407 1 2966 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 91.41 -1.908294 -24.123032 1.5710092 1 2967 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 94.53 -2.6964264 -24.945536 7.219267 1 2968 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 93.75 -1.8831804 -25.674091 8.1998 1 2969 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 94.14 -0.39777854 -25.542488 7.8643036 1 2970 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 93.75 -0.0016502194 -25.68463 6.699909 1 2971 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 92.97 -2.2863965 -27.150085 8.217241 1 2972 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 92.97 -1.5769314 -27.938417 9.294918 1 2973 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 91.02 -0.53983283 -28.56847 9.002519 1 2974 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 89.45 -2.061632 -27.91922 10.448261 1 2975 +ATOM N N . SER B0 2 168 . 168 SER B0 N 90.23 0.41440994 -25.24769 8.863885 1 2976 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 88.67 1.8345631 -25.024967 8.671142 1 2977 +ATOM C C . SER B0 2 168 . 168 SER B0 C 89.45 2.608335 -26.29634 8.3178215 1 2978 +ATOM O O . SER B0 2 168 . 168 SER B0 O 87.89 3.7319295 -26.20261 7.818308 1 2979 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 86.72 2.4429958 -24.391361 9.923068 1 2980 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 79.69 2.3348038 -25.256832 11.034544 1 2981 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 91.8 2.034235 -27.468819 8.575444 1 2982 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 90.62 2.7297227 -28.71873 8.3113785 1 2983 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 91.41 2.2337775 -29.440472 7.0636897 1 2984 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 88.67 3.039646 -29.821596 6.2134037 1 2985 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 88.28 2.6430357 -29.643694 9.530472 1 2986 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 80.08 3.371635 -29.090397 10.750672 1 2987 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 73.44 3.2934825 -30.044981 11.933054 1 2988 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 66.41 4.0308995 -29.462769 13.137749 1 2989 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 58.2 3.95998 -30.366486 14.303188 1 2990 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 95.31 0.900239 -29.629032 6.93081 1 2991 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 94.92 0.39435515 -30.34708 5.7662 1 2992 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 95.7 -0.28065652 -29.438316 4.7366652 1 2993 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 94.53 -0.7547677 -29.9304 3.7073684 1 2994 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 93.75 -0.53517836 -31.494524 6.179578 1 2995 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 93.75 -1.8559959 -31.046638 6.786687 1 2996 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 91.41 -2.1749644 -29.840994 6.730034 1 2997 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 89.84 -2.5796318 -31.921253 7.3150654 1 2998 +ATOM N N . SER B0 2 171 . 171 SER B0 N 95.31 -0.30210197 -28.141317 4.989911 1 2999 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 95.7 -0.81700337 -27.128815 4.066106 1 3000 +ATOM C C . SER B0 2 171 . 171 SER B0 C 96.09 -2.2929776 -27.291119 3.7015076 1 3001 +ATOM O O . SER B0 2 171 . 171 SER B0 O 96.09 -2.727553 -26.82022 2.6489267 1 3002 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 94.92 0.03360925 -27.08008 2.7890613 1 3003 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 92.97 1.402681 -26.869421 3.0949564 1 3004 +ATOM N N . THR B0 2 172 . 172 THR B0 N 97.66 -3.0724187 -27.947205 4.557897 1 3005 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 98.05 -4.498346 -28.121218 4.3060303 1 3006 +ATOM C C . THR B0 2 172 . 172 THR B0 C 97.66 -5.320074 -27.084595 5.0702777 1 3007 +ATOM O O . THR B0 2 172 . 172 THR B0 O 97.66 -4.799733 -26.350473 5.9154644 1 3008 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 97.66 -4.993125 -29.531841 4.7138453 1 3009 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 97.27 -4.812108 -29.70396 6.1219797 1 3010 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 97.27 -4.260103 -30.620552 3.9494698 1 3011 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 98.05 -6.6115303 -27.050846 4.742976 1 3012 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 98.05 -7.573514 -26.184317 5.412759 1 3013 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 98.05 -8.642172 -27.038258 6.0724316 1 3014 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 98.05 -8.856264 -28.192787 5.690009 1 3015 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 98.05 -8.265059 -25.243042 4.409883 1 3016 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 98.05 -7.337018 -24.29739 3.6933198 1 3017 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 97.66 -6.757892 -24.64357 2.4783442 1 3018 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 97.27 -7.043407 -23.051863 4.228841 1 3019 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 96.88 -5.908057 -23.778309 1.8182876 1 3020 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 97.27 -6.1947317 -22.175137 3.572371 1 3021 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 96.88 -5.632883 -22.548233 2.3674078 1 3022 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 96.09 -4.796962 -21.693504 1.7180483 1 3023 +ATOM N N . SER B0 2 174 . 174 SER B0 N 98.83 -9.31192 -26.469095 7.0394797 1 3024 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 98.44 -10.490425 -27.090427 7.6413383 1 3025 +ATOM C C . SER B0 2 174 . 174 SER B0 C 98.44 -11.564905 -26.014582 7.7086306 1 3026 +ATOM O O . SER B0 2 174 . 174 SER B0 O 98.44 -11.260387 -24.824657 7.839321 1 3027 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 98.44 -10.185381 -27.648525 9.029964 1 3028 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 97.66 -9.321138 -28.777489 8.93518 1 3029 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 98.83 -12.821111 -26.447166 7.5983143 1 3030 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 98.83 -13.929739 -25.50042 7.5553536 1 3031 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 98.83 -15.078571 -25.990585 8.415434 1 3032 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 98.44 -15.3611965 -27.197552 8.454899 1 3033 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 98.83 -14.394562 -25.326387 6.1053567 1 3034 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 98.05 -15.575486 -24.419918 5.7795553 1 3035 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 97.27 -15.444557 -23.878738 4.3535147 1 3036 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 96.88 -16.921417 -25.14036 5.938905 1 3037 +ATOM N N . SER B0 2 176 . 176 SER B0 N 98.83 -15.724802 -25.052427 9.098905 1 3038 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 98.83 -16.92608 -25.375166 9.850603 1 3039 +ATOM C C . SER B0 2 176 . 176 SER B0 C 98.83 -18.075588 -24.562359 9.282883 1 3040 +ATOM O O . SER B0 2 176 . 176 SER B0 O 98.44 -17.908688 -23.408524 8.878833 1 3041 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 98.05 -16.765682 -25.059494 11.343887 1 3042 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 93.36 -16.808102 -23.670013 11.575577 1 3043 +ATOM N N . SER B0 2 177 . 177 SER B0 N 98.83 -19.236197 -25.188292 9.202875 1 3044 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 98.83 -20.45393 -24.494797 8.793005 1 3045 +ATOM C C . SER B0 2 177 . 177 SER B0 C 98.44 -21.484297 -24.775064 9.874592 1 3046 +ATOM O O . SER B0 2 177 . 177 SER B0 O 98.83 -21.72236 -25.935507 10.223563 1 3047 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 98.44 -20.954393 -24.993359 7.437434 1 3048 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 97.66 -22.144417 -24.303516 7.0549603 1 3049 +ATOM N N . THR B0 2 178 . 178 THR B0 N 98.83 -22.066948 -23.71737 10.407186 1 3050 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 98.83 -23.045471 -23.869766 11.475149 1 3051 +ATOM C C . THR B0 2 178 . 178 THR B0 C 98.44 -24.414566 -23.384691 11.005829 1 3052 +ATOM O O . THR B0 2 178 . 178 THR B0 O 98.44 -24.578989 -22.222916 10.631615 1 3053 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 98.44 -22.62669 -23.08636 12.734813 1 3054 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 96.88 -21.347149 -23.55407 13.166119 1 3055 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 97.27 -23.637875 -23.287888 13.865365 1 3056 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 98.83 -25.38149 -24.299366 11.036161 1 3057 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 98.44 -26.76533 -23.986557 10.690384 1 3058 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 98.83 -27.484907 -23.6691 11.992481 1 3059 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 98.44 -27.43592 -24.46745 12.935629 1 3060 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 98.44 -27.431046 -25.184692 10.007376 1 3061 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 98.05 -28.925743 -25.049263 9.670641 1 3062 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 96.88 -29.520464 -26.41945 9.332212 1 3063 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 96.48 -29.11707 -24.081636 8.507427 1 3064 +ATOM N N . THR B0 2 180 . 180 THR B0 N 98.44 -28.118164 -22.506918 12.058476 1 3065 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 98.05 -28.805302 -22.111092 13.283756 1 3066 +ATOM C C . THR B0 2 180 . 180 THR B0 C 98.05 -30.30899 -21.987427 13.053666 1 3067 +ATOM O O . THR B0 2 180 . 180 THR B0 O 97.66 -30.755083 -21.306969 12.130331 1 3068 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 97.66 -28.253763 -20.778797 13.824294 1 3069 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 90.23 -26.8522 -20.919613 14.070493 1 3070 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 89.84 -28.956024 -20.38018 15.120723 1 3071 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 98.05 -31.084627 -22.662954 13.906229 1 3072 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 98.05 -32.543476 -22.633001 13.8634 1 3073 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 98.05 -33.077515 -22.454357 15.275512 1 3074 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 97.66 -32.385307 -22.766626 16.248829 1 3075 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 97.66 -33.10694 -23.937029 13.297232 1 3076 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 94.92 -32.670696 -24.396334 11.911596 1 3077 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 92.19 -33.196693 -25.804787 11.65045 1 3078 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 91.41 -33.156677 -23.428955 10.851882 1 3079 +ATOM N N . SER B0 2 182 . 182 SER B0 N 98.05 -34.310555 -21.973164 15.369247 1 3080 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 97.66 -34.94343 -21.929783 16.680464 1 3081 +ATOM C C . SER B0 2 182 . 182 SER B0 C 97.66 -35.279003 -23.36642 17.057247 1 3082 +ATOM O O . SER B0 2 182 . 182 SER B0 O 97.66 -35.39061 -24.238052 16.184425 1 3083 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 96.48 -36.224106 -21.084545 16.642467 1 3084 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 93.36 -37.20898 -21.712101 15.838009 1 3085 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 97.66 -35.444336 -23.6264 18.338455 1 3086 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 97.66 -35.797295 -24.976334 18.76767 1 3087 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 97.66 -37.10004 -25.412704 18.110764 1 3088 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 97.27 -37.22778 -26.554213 17.65451 1 3089 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 97.27 -35.941643 -25.031439 20.292332 1 3090 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 94.53 -36.416874 -26.377705 20.81904 1 3091 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 92.19 -36.6473 -26.323565 22.327065 1 3092 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 87.11 -37.188377 -27.653038 22.848732 1 3093 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 79.69 -37.42437 -27.61424 24.315067 1 3094 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 97.27 -38.063892 -24.484499 18.047308 1 3095 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 97.27 -39.364407 -24.784393 17.449524 1 3096 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 97.66 -39.230446 -25.194427 15.984801 1 3097 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 97.27 -39.832104 -26.182909 15.557064 1 3098 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 97.27 -40.288803 -23.583908 17.573595 1 3099 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 97.66 -38.423134 -24.442719 15.227257 1 3100 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 97.66 -38.22897 -24.78077 13.816647 1 3101 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 98.05 -37.456955 -26.084057 13.673704 1 3102 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 97.27 -37.748615 -26.872246 12.769323 1 3103 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 96.88 -37.485725 -23.649187 13.086886 1 3104 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 92.58 -38.389446 -22.468807 12.776594 1 3105 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 88.67 -39.63237 -22.639341 12.815609 1 3106 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 86.72 -37.85974 -21.376568 12.488754 1 3107 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 98.05 -36.470284 -26.293125 14.531324 1 3108 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 98.05 -35.679066 -27.52217 14.4840975 1 3109 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 98.05 -36.560753 -28.749348 14.689402 1 3110 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 97.66 -36.39752 -29.772093 14.011208 1 3111 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 97.66 -34.579372 -27.479595 15.549307 1 3112 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 98.05 -33.78028 -28.764013 15.641184 1 3113 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 96.88 -33.889412 -29.594135 16.758457 1 3114 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 97.27 -32.90591 -29.138878 14.625334 1 3115 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 96.88 -33.153107 -30.759054 16.85101 1 3116 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 97.27 -32.168846 -30.311668 14.710081 1 3117 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 97.66 -32.295845 -31.117699 15.826313 1 3118 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 96.88 -31.568352 -32.272865 15.915997 1 3119 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 97.66 -37.516167 -28.640152 15.612367 1 3120 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 97.66 -38.386154 -29.768404 15.933538 1 3121 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 97.66 -39.510887 -29.986546 14.916443 1 3122 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 96.48 -40.263897 -30.951069 15.035239 1 3123 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 96.88 -38.965443 -29.599554 17.34457 1 3124 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 92.97 -37.875027 -29.690834 18.403816 1 3125 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 90.23 -38.386345 -29.614548 19.824009 1 3126 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 84.38 -37.64377 -30.019096 20.74099 1 3127 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 83.98 -39.526497 -29.13836 20.02999 1 3128 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 96.88 -39.62216 -29.108614 13.932751 1 3129 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 96.88 -40.61634 -29.272358 12.876756 1 3130 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 96.88 -40.134308 -30.199177 11.775196 1 3131 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 95.7 -40.93065 -30.63588 10.942022 1 3132 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 96.09 -40.968483 -27.917805 12.24651 1 3133 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 91.02 -41.730667 -26.971067 13.149706 1 3134 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 86.33 -41.96779 -25.650272 12.432224 1 3135 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 78.52 -42.675903 -24.66391 13.337634 1 3136 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 70.31 -42.812523 -23.339973 12.694271 1 3137 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 97.66 -38.836967 -30.470928 11.749687 1 3138 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 97.27 -38.255344 -31.253965 10.65807 1 3139 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 97.66 -37.50644 -32.468292 11.169835 1 3140 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 96.88 -37.140617 -32.54908 12.340037 1 3141 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 97.27 -37.32872 -30.367466 9.811753 1 3142 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 96.48 -38.00037 -29.120817 9.344206 1 3143 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 85.16 -38.898235 -29.12328 8.290573 1 3144 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 84.77 -37.935253 -27.84893 9.783659 1 3145 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 88.28 -39.35338 -27.897675 8.1161 1 3146 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 90.23 -38.78382 -27.096752 9.004622 1 3147 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 97.27 -37.231583 -33.40135 10.266651 1 3148 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 96.88 -36.603363 -34.659775 10.6296 1 3149 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 97.66 -35.17469 -34.82083 10.099443 1 3150 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 96.88 -34.256203 -35.07109 10.872268 1 3151 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 96.48 -37.44999 -35.834938 10.142198 1 3152 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 91.02 -36.83483 -37.20269 10.425833 1 3153 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 86.72 -37.711178 -38.323227 9.86511 1 3154 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 78.91 -37.04823 -39.68376 10.082588 1 3155 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 71.48 -37.840614 -40.779854 9.491608 1 3156 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 97.66 -34.992912 -34.667847 8.78529 1 3157 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 98.05 -33.698948 -34.93426 8.161935 1 3158 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 98.05 -32.855766 -33.6647 8.0142 1 3159 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 97.66 -33.28424 -32.692944 7.3800793 1 3160 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 97.27 -33.87445 -35.609634 6.785653 1 3161 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 94.92 -32.519646 -35.98276 6.197134 1 3162 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 94.92 -34.760254 -36.84793 6.904698 1 3163 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 98.05 -31.668472 -33.70226 8.589094 1 3164 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 98.05 -30.72268 -32.593258 8.496586 1 3165 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 98.05 -29.490646 -33.09931 7.7612243 1 3166 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 97.66 -28.867302 -34.068428 8.185321 1 3167 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 98.05 -30.366707 -32.06875 9.895589 1 3168 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 98.05 -31.53023 -31.33279 10.517239 1 3169 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 97.66 -32.52925 -32.030006 11.1780815 1 3170 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 97.66 -31.65684 -29.956991 10.383618 1 3171 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 97.66 -33.62831 -31.366234 11.702464 1 3172 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 97.27 -32.74843 -29.291164 10.908756 1 3173 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 98.05 -33.7333 -30.00167 11.564285 1 3174 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 97.27 -34.81951 -29.34601 12.068456 1 3175 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 98.05 -29.177868 -32.428192 6.6581407 1 3176 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 98.05 -28.075693 -32.884 5.8248434 1 3177 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 98.05 -27.139523 -31.747566 5.4196043 1 3178 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 98.05 -27.568514 -30.614475 5.1946306 1 3179 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 98.05 -28.615456 -33.577843 4.5781083 1 3180 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 98.05 -25.846294 -32.079845 5.3562875 1 3181 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 98.05 -24.803202 -31.163603 4.9124517 1 3182 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 98.44 -24.199024 -31.786602 3.6568415 1 3183 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 97.66 -23.668438 -32.899517 3.7098775 1 3184 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 97.27 -23.75003 -31.018347 6.0026746 1 3185 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 92.97 -22.297493 -30.087496 5.5376368 1 3186 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 98.44 -24.306053 -31.087135 2.5037713 1 3187 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 98.44 -23.76373 -31.591928 1.2455866 1 3188 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 98.44 -22.507393 -30.808973 0.88860583 1 3189 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 98.05 -22.527887 -29.572853 0.82409793 1 3190 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 98.05 -24.79758 -31.471016 0.12127441 1 3191 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 93.75 -24.337166 -32.091278 -1.1838336 1 3192 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 92.97 -25.339577 -31.907314 -2.307085 1 3193 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 87.5 -26.022017 -32.888252 -2.6735816 1 3194 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 86.33 -25.456575 -30.76485 -2.797708 1 3195 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 98.44 -21.432102 -31.523912 0.65319276 1 3196 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 98.44 -20.13886 -30.909624 0.39847398 1 3197 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 98.44 -19.654083 -31.181866 -1.022393 1 3198 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 98.44 -19.64558 -32.32805 -1.4721544 1 3199 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 98.44 -19.08863 -31.41005 1.4071981 1 3200 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 97.27 -17.704594 -30.85334 1.0729961 1 3201 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 96.88 -19.492119 -31.019133 2.827558 1 3202 +ATOM N N . THR B0 2 197 . 197 THR B0 N 98.44 -19.243029 -30.093452 -1.6960729 1 3203 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 98.44 -18.675041 -30.193771 -3.0311978 1 3204 +ATOM C C . THR B0 2 197 . 197 THR B0 C 98.44 -17.238182 -29.682724 -2.943502 1 3205 +ATOM O O . THR B0 2 197 . 197 THR B0 O 98.44 -16.985847 -28.613205 -2.3878374 1 3206 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 98.05 -19.468702 -29.350382 -4.044029 1 3207 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 95.31 -20.829899 -29.80658 -4.064782 1 3208 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 94.53 -18.883085 -29.469986 -5.4410524 1 3209 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 98.05 -16.310125 -30.452133 -3.478816 1 3210 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 98.05 -14.891924 -30.094507 -3.4431047 1 3211 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 98.44 -14.160444 -30.787262 -4.583784 1 3212 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 98.05 -14.566255 -31.875448 -5.0090203 1 3213 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 98.44 -14.266304 -30.478664 -2.0968912 1 3214 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 98.05 -12.849688 -30.04011 -1.9421774 1 3215 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 92.19 -11.777525 -30.873074 -2.208754 1 3216 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 93.36 -12.321546 -28.853132 -1.5596414 1 3217 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 94.92 -10.659521 -30.19997 -1.9993689 1 3218 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 95.7 -10.956408 -28.977104 -1.6008723 1 3219 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 98.05 -13.111811 -30.152302 -5.062023 1 3220 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 98.05 -12.334861 -30.673935 -6.182273 1 3221 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 97.66 -11.83196 -32.10433 -5.9356747 1 3222 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 97.27 -11.724774 -32.89976 -6.8689804 1 3223 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 97.27 -11.148602 -29.742216 -6.4595323 1 3224 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 91.41 -10.276659 -30.17863 -7.6253233 1 3225 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 87.89 -9.091082 -29.256783 -7.835335 1 3226 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 79.69 -9.10803 -28.104446 -7.403631 1 3227 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 76.95 -8.055037 -29.754936 -8.496916 1 3228 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 98.05 -11.5217705 -32.401966 -4.6850367 1 3229 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 98.05 -11.008413 -33.71957 -4.334876 1 3230 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 97.66 -12.05849 -34.80506 -4.2360244 1 3231 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 97.27 -11.723555 -35.96953 -4.0159435 1 3232 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 98.05 -13.327858 -34.44355 -4.407566 1 3233 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 98.05 -14.427813 -35.40496 -4.3520894 1 3234 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 98.05 -14.96719 -35.641876 -5.755509 1 3235 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 97.27 -15.260593 -34.693703 -6.4830003 1 3236 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 98.05 -15.5537815 -34.883526 -3.4524915 1 3237 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 98.05 -15.199176 -34.616726 -1.9860703 1 3238 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 96.88 -16.335484 -33.860374 -1.3000355 1 3239 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 96.48 -14.9021015 -35.918213 -1.2635751 1 3240 +ATOM N N . SER B0 2 202 . 202 SER B0 N 97.27 -15.086239 -36.902374 -6.1348276 1 3241 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 96.88 -15.585384 -37.238693 -7.4671865 1 3242 +ATOM C C . SER B0 2 202 . 202 SER B0 C 97.27 -17.04893 -36.84236 -7.629316 1 3243 +ATOM O O . SER B0 2 202 . 202 SER B0 O 95.7 -17.50372 -36.59158 -8.747408 1 3244 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 95.7 -15.410652 -38.735016 -7.732831 1 3245 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 86.33 -16.083527 -39.516113 -6.776572 1 3246 +ATOM N N . SER B0 2 203 . 203 SER B0 N 97.66 -17.772186 -36.80356 -6.52759 1 3247 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 97.66 -19.16052 -36.362682 -6.5053906 1 3248 +ATOM C C . SER B0 2 203 . 203 SER B0 C 98.05 -19.452105 -35.787086 -5.129388 1 3249 +ATOM O O . SER B0 2 203 . 203 SER B0 O 97.27 -18.730024 -36.06955 -4.167015 1 3250 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 96.88 -20.113949 -37.5286 -6.808039 1 3251 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 87.11 -19.990963 -38.5607 -5.8450522 1 3252 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 97.66 -20.469707 -34.928402 -5.01474 1 3253 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 97.66 -20.765848 -34.339973 -3.705719 1 3254 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 98.05 -20.99857 -35.399033 -2.6395435 1 3255 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 97.27 -21.58707 -36.44745 -2.9135644 1 3256 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 97.27 -22.0347 -33.518238 -3.9725962 1 3257 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 95.7 -21.953712 -33.170513 -5.427474 1 3258 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 97.27 -21.362743 -34.402504 -6.061062 1 3259 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 97.27 -20.498558 -35.11771 -1.4368722 1 3260 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 97.66 -20.67022 -36.02072 -0.30567932 1 3261 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 98.05 -21.700161 -35.414024 0.63349867 1 3262 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 97.66 -21.635101 -34.223137 0.9516573 1 3263 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 96.48 -19.339893 -36.244793 0.44347736 1 3264 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 93.75 -19.574871 -36.956024 1.7781286 1 3265 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 93.75 -18.379684 -37.043743 -0.4220498 1 3266 +ATOM N N . THR B0 2 206 . 206 THR B0 N 96.88 -22.647598 -36.237083 1.0697179 1 3267 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 96.88 -23.676994 -35.77356 1.989608 1 3268 +ATOM C C . THR B0 2 206 . 206 THR B0 C 97.27 -23.608292 -36.545288 3.3039575 1 3269 +ATOM O O . THR B0 2 206 . 206 THR B0 O 96.09 -23.5452 -37.771072 3.3066478 1 3270 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 97.27 -25.086262 -35.936478 1.3837447 1 3271 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 93.36 -25.19477 -35.13672 0.20249298 1 3272 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 92.97 -26.170937 -35.50217 2.3766127 1 3273 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 97.27 -23.58088 -35.80571 4.396222 1 3274 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 96.88 -23.641418 -36.393547 5.733665 1 3275 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 97.27 -24.943697 -35.909695 6.3407707 1 3276 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 96.48 -25.289686 -34.725166 6.232685 1 3277 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 96.09 -22.451675 -35.94661 6.5923276 1 3278 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 92.58 -21.101326 -36.456764 6.0895376 1 3279 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 89.06 -21.002003 -37.97164 6.1861277 1 3280 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 85.55 -19.627153 -38.446693 5.704053 1 3281 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 80.47 -19.50552 -39.912292 5.7646074 1 3282 +ATOM N N . SER B0 2 208 . 208 SER B0 N 96.48 -25.697844 -36.822662 6.96311 1 3283 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 96.09 -26.996223 -36.447952 7.5076647 1 3284 +ATOM C C . SER B0 2 208 . 208 SER B0 C 96.48 -27.348042 -37.226566 8.765568 1 3285 +ATOM O O . SER B0 2 208 . 208 SER B0 O 95.31 -26.70116 -38.21818 9.099952 1 3286 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 95.31 -28.093071 -36.649643 6.4535184 1 3287 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 87.89 -28.239311 -38.02985 6.138225 1 3288 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 96.09 -28.372229 -36.772377 9.445274 1 3289 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 96.09 -28.914219 -37.460144 10.6131 1 3290 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 96.09 -30.404922 -37.184162 10.694605 1 3291 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 95.7 -30.904575 -36.225674 10.092634 1 3292 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 96.09 -28.20987 -37.018494 11.918108 1 3293 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 96.48 -28.478666 -35.59452 12.326477 1 3294 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 96.09 -27.612415 -34.58431 11.937619 1 3295 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 96.09 -29.571655 -35.26113 13.102824 1 3296 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 95.7 -27.845476 -33.26462 12.323996 1 3297 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 95.7 -29.807354 -33.95032 13.48975 1 3298 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 96.09 -28.945461 -32.94997 13.098602 1 3299 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 96.09 -31.082352 -38.04277 11.41056 1 3300 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 95.7 -32.51937 -37.868866 11.643057 1 3301 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 95.31 -32.69988 -37.384285 13.0723915 1 3302 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 94.14 -32.175716 -37.996864 14.0142765 1 3303 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 94.92 -33.27362 -39.19303 11.452316 1 3304 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 92.97 -33.252785 -39.67907 10.017088 1 3305 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 86.33 -33.152306 -38.886055 9.088644 1 3306 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 85.16 -33.36114 -40.98514 9.82028 1 3307 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 94.92 -33.4171 -36.288933 13.251558 1 3308 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 94.14 -33.635693 -35.719517 14.574493 1 3309 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 92.97 -34.272926 -36.756214 15.503002 1 3310 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 89.06 -35.243156 -37.42266 15.13557 1 3311 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 93.36 -34.5527 -34.476326 14.48804 1 3312 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 91.41 -34.81196 -33.831497 15.837143 1 3313 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 91.8 -35.779556 -32.651955 15.729634 1 3314 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 91.41 -37.018925 -33.00894 15.042285 1 3315 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 92.19 -38.017273 -33.676804 15.611176 1 3316 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 87.89 -39.109524 -33.977116 14.912837 1 3317 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 87.89 -37.930527 -34.031685 16.876135 1 3318 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 87.11 -33.69651 -36.90188 16.668276 1 3319 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 83.59 -34.2053 -37.837044 17.6483 1 3320 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 82.03 -33.696045 -39.25511 17.520336 1 3321 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 73.83 -34.029053 -40.115288 18.356869 1 3322 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 78.52 -32.913025 -39.517826 16.505745 1 3323 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 75.39 -32.380272 -40.86239 16.300129 1 3324 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 73.05 -30.873665 -40.887215 16.589737 1 3325 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 66.02 -30.249285 -39.841007 16.765045 1 3326 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 69.92 -32.61329 -41.33381 14.859137 1 3327 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 63.67 -34.08947 -41.456223 14.522001 1 3328 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 60.94 -34.307713 -41.920288 13.101725 1 3329 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 57.03 -35.469933 -42.131355 12.717079 1 3330 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 57.42 -33.322716 -42.0766 12.339934 1 3331 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 56.25 -30.252129 -41.947052 16.6114 1 3332 +ATOM N N . SER C0 3 1 . 1 SER C0 N 61.33 42.20735 2.135734 -4.07571 1 3333 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 62.11 41.93731 3.506658 -4.5032988 1 3334 +ATOM C C . SER C0 3 1 . 1 SER C0 C 66.02 42.17447 3.6844587 -5.9987793 1 3335 +ATOM O O . SER C0 3 1 . 1 SER C0 O 62.11 43.097168 3.0900524 -6.563889 1 3336 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 58.2 42.811714 4.4848814 -3.7325373 1 3337 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 52.34 42.527172 4.4523335 -2.340537 1 3338 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 74.22 41.344955 4.4701433 -6.602164 1 3339 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 74.22 41.476116 4.7385817 -8.022549 1 3340 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 75.39 42.11635 6.1002703 -8.252956 1 3341 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 70.7 41.936333 7.027027 -7.4612675 1 3342 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 70.31 40.105 4.7139597 -8.711445 1 3343 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 66.8 39.352753 3.3785315 -8.739267 1 3344 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 64.45 38.028275 3.5603988 -9.479137 1 3345 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 62.89 40.181355 2.2964027 -9.391618 1 3346 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 76.56 42.85414 6.2106476 -9.33078 1 3347 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 77.73 43.44597 7.47654 -9.747488 1 3348 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 80.08 43.453114 7.5207243 -11.271948 1 3349 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 75.78 42.982788 6.5802937 -11.927082 1 3350 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 71.88 44.86149 7.649941 -9.172923 1 3351 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 65.23 45.80872 6.520776 -9.526718 1 3352 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 59.77 45.54753 5.7623653 -10.481635 1 3353 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 58.98 46.84327 6.396226 -8.839304 1 3354 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 76.56 43.97899 8.590982 -11.847574 1 3355 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 77.34 43.976517 8.74148 -13.2984085 1 3356 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 79.3 44.799965 7.6519575 -13.991865 1 3357 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 75.39 44.514465 7.302022 -15.147036 1 3358 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 72.27 44.52278 10.133229 -13.687244 1 3359 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 65.23 43.640812 11.286575 -13.18294 1 3360 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 60.94 42.325333 11.4132595 -13.920179 1 3361 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 56.25 41.45691 12.178537 -13.462006 1 3362 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 54.69 42.144436 10.737554 -14.956946 1 3363 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 82.42 45.79039 7.111955 -13.290636 1 3364 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 83.98 46.666794 6.094179 -13.870705 1 3365 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 87.11 46.000557 4.724416 -13.975235 1 3366 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 83.98 46.1341 4.0425396 -14.993425 1 3367 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 79.3 47.957558 5.978008 -13.044083 1 3368 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 69.92 48.91916 4.9019337 -13.5366 1 3369 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 66.41 50.144943 4.829441 -12.625433 1 3370 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 58.98 51.085167 3.7194529 -13.080431 1 3371 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 53.52 52.26406 3.6124206 -12.180156 1 3372 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 86.33 45.264824 4.328456 -12.941735 1 3373 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 87.5 44.669357 2.997433 -12.88994 1 3374 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 89.84 43.1694 2.979279 -13.2149315 1 3375 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 87.11 42.481827 2.0003612 -12.9256 1 3376 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 83.2 44.90602 2.381464 -11.502779 1 3377 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 76.95 46.37822 2.2861326 -11.160714 1 3378 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 69.53 47.179077 1.7891641 -11.955742 1 3379 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 69.53 46.76087 2.7673137 -9.978654 1 3380 +ATOM N N . SER C0 3 7 . 7 SER C0 N 91.02 42.701736 4.03318 -13.84952 1 3381 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 92.58 41.27986 4.1120253 -14.167936 1 3382 +ATOM C C . SER C0 3 7 . 7 SER C0 C 93.75 41.043495 4.828177 -15.4930935 1 3383 +ATOM O O . SER C0 3 7 . 7 SER C0 O 92.19 41.95047 5.4446344 -16.052162 1 3384 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 90.23 40.528076 4.840663 -13.048744 1 3385 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 84.38 40.95967 6.180434 -12.946901 1 3386 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 93.36 39.82753 4.7296076 -15.962904 1 3387 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 94.14 39.400856 5.436466 -17.157558 1 3388 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 95.31 38.497395 6.5822225 -16.690567 1 3389 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 94.53 37.56785 6.366541 -15.895214 1 3390 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 92.19 38.622715 4.5094194 -18.11372 1 3391 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 83.2 38.069397 5.3028584 -19.293087 1 3392 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 82.81 39.522266 3.3811643 -18.606642 1 3393 +ATOM N N . SER C0 3 9 . 9 SER C0 N 94.14 38.770496 7.7876987 -17.146645 1 3394 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 94.53 37.992264 8.950789 -16.76931 1 3395 +ATOM C C . SER C0 3 9 . 9 SER C0 C 94.92 36.841 9.151284 -17.755352 1 3396 +ATOM O O . SER C0 3 9 . 9 SER C0 O 94.53 37.063618 9.201273 -18.966412 1 3397 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 92.97 38.873096 10.197318 -16.7242 1 3398 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 83.2 38.137856 11.3272 -16.31441 1 3399 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 94.92 35.627064 9.239994 -17.234589 1 3400 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 95.31 34.44455 9.426043 -18.06916 1 3401 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 95.7 33.782032 10.753962 -17.700626 1 3402 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 95.31 33.432285 10.978716 -16.534443 1 3403 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 94.53 33.437622 8.268051 -17.87926 1 3404 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 89.84 32.188858 8.497057 -18.722595 1 3405 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 89.84 34.084435 6.932392 -18.230661 1 3406 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 95.31 33.61505 11.626112 -18.692905 1 3407 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 94.53 32.97414 12.916675 -18.461575 1 3408 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 95.31 31.467966 12.732502 -18.29696 1 3409 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 94.53 30.843538 11.944534 -19.020414 1 3410 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 92.97 33.25161 13.878087 -19.624638 1 3411 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 84.77 34.69732 14.336622 -19.667416 1 3412 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 78.91 35.31565 14.440626 -18.590569 1 3413 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 77.73 35.198727 14.606838 -20.773745 1 3414 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 95.31 30.896969 13.452984 -17.351639 1 3415 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 95.7 29.4785 13.349786 -17.044456 1 3416 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 94.92 28.79023 14.707754 -17.152428 1 3417 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 93.75 29.454157 15.747063 -17.083294 1 3418 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 95.31 29.285894 12.814117 -15.624903 1 3419 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 94.53 29.890217 11.450457 -15.298197 1 3420 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 92.97 29.822765 11.208731 -13.797434 1 3421 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 92.19 29.172352 10.358188 -16.066746 1 3422 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 95.31 27.46404 14.707439 -17.303528 1 3423 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 94.14 26.729885 15.974518 -17.295238 1 3424 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 93.36 26.947578 16.686897 -15.95905 1 3425 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 90.62 27.172188 16.035639 -14.929545 1 3426 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 92.97 25.270824 15.539679 -17.459106 1 3427 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 91.8 25.344677 14.207846 -18.149122 1 3428 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 94.14 26.56755 13.557941 -17.568687 1 3429 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 89.06 26.907845 18.013704 -15.983282 1 3430 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 87.5 27.087738 18.765486 -14.754503 1 3431 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 88.28 28.534904 19.061728 -14.426435 1 3432 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 83.59 28.868328 19.329433 -13.272482 1 3433 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 88.67 29.391663 19.011768 -15.449072 1 3434 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 88.67 30.826113 19.259039 -15.286097 1 3435 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 90.62 31.44453 18.38223 -14.2000265 1 3436 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 87.89 32.204727 18.842585 -13.352537 1 3437 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 84.77 31.06849 20.74878 -14.981159 1 3438 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 73.83 30.58501 21.663162 -16.091835 1 3439 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 67.97 30.85606 23.129827 -15.814252 1 3440 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 61.33 30.558817 23.967031 -16.689373 1 3441 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 58.98 31.359556 23.462238 -14.718534 1 3442 +ATOM N N . MET C0 3 16 . 16 MET C0 N 93.75 31.063139 17.11724 -14.23638 1 3443 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 93.75 31.610092 16.120222 -13.322151 1 3444 +ATOM C C . MET C0 3 16 . 16 MET C0 C 94.14 32.278294 15.033926 -14.150979 1 3445 +ATOM O O . MET C0 3 16 . 16 MET C0 O 92.97 32.09621 14.946184 -15.367505 1 3446 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 91.41 30.498482 15.503281 -12.463847 1 3447 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 84.38 29.872847 16.456604 -11.4587555 1 3448 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 82.42 28.681854 15.626569 -10.373053 1 3449 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 72.66 27.36224 15.30612 -11.537224 1 3450 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 94.53 33.048122 14.209944 -13.479338 1 3451 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 94.53 33.642223 13.058716 -14.144134 1 3452 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 95.31 33.722103 11.910549 -13.146149 1 3453 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 94.53 33.780262 12.130155 -11.931061 1 3454 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 92.97 35.036743 13.38114 -14.70616 1 3455 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 84.38 36.10484 13.65042 -13.6600485 1 3456 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 82.03 37.44722 13.8938875 -14.338408 1 3457 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 73.44 38.537483 14.150641 -13.311676 1 3458 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 66.8 39.837128 14.397186 -13.965918 1 3459 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 95.7 33.688564 10.70049 -13.666042 1 3460 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 96.09 33.78043 9.520742 -12.812311 1 3461 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 96.09 34.989174 8.706334 -13.260819 1 3462 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 95.7 35.27156 8.593948 -14.459316 1 3463 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 95.31 32.48329 8.663977 -12.873184 1 3464 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 89.84 32.57097 7.485668 -11.890116 1 3465 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 89.06 32.219135 8.155445 -14.281338 1 3466 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 95.31 35.730835 8.17943 -12.299488 1 3467 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 95.7 36.853752 7.305376 -12.590688 1 3468 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 96.09 36.358696 5.8683767 -12.487608 1 3469 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 95.31 35.7558 5.487912 -11.475317 1 3470 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 94.92 37.996117 7.5384026 -11.595688 1 3471 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 91.41 38.603294 8.944298 -11.566441 1 3472 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 88.67 39.735634 8.991759 -10.543327 1 3473 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 87.11 39.111427 9.349585 -12.943545 1 3474 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 95.7 36.60137 5.0865164 -13.538321 1 3475 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 95.7 36.174313 3.6894782 -13.585688 1 3476 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 95.7 37.41652 2.8013225 -13.591911 1 3477 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 94.92 38.323997 3.0067341 -14.397045 1 3478 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 95.7 35.32402 3.402996 -14.844492 1 3479 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 92.97 34.7689 1.9815769 -14.801786 1 3480 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 92.97 34.199287 4.4254503 -14.98426 1 3481 +ATOM N N . SER C0 3 21 . 21 SER C0 N 95.7 37.44834 1.8158121 -12.697433 1 3482 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 94.92 38.596867 0.9192716 -12.631372 1 3483 +ATOM C C . SER C0 3 21 . 21 SER C0 C 94.53 38.73983 0.15497947 -13.948911 1 3484 +ATOM O O . SER C0 3 21 . 21 SER C0 O 93.36 37.74858 -0.21101168 -14.57855 1 3485 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 93.75 38.45116 -0.060815565 -11.464376 1 3486 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 87.89 37.3434 -0.93133265 -11.651679 1 3487 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 93.36 39.982346 -0.058783688 -14.364628 1 3488 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 92.97 40.24247 -0.77261215 -15.609128 1 3489 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 93.36 39.938705 -2.269596 -15.511402 1 3490 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 91.8 39.685886 -2.9176922 -16.524536 1 3491 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 91.41 41.696476 -0.55732054 -16.033825 1 3492 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 83.59 41.982056 0.89303935 -16.439495 1 3493 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 78.52 43.435028 1.0621281 -16.859213 1 3494 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 70.7 43.70289 2.5057259 -17.276066 1 3495 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 63.28 45.115173 2.7137702 -17.641445 1 3496 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 92.58 39.96081 -2.8057199 -14.285045 1 3497 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 92.19 39.671173 -4.223015 -14.064353 1 3498 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 92.97 38.579086 -4.395693 -13.012851 1 3499 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 91.02 38.385246 -3.5295944 -12.156876 1 3500 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 89.84 40.927086 -4.9690075 -13.604288 1 3501 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 80.86 42.040962 -4.982983 -14.63015 1 3502 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 76.56 43.213757 -5.824304 -14.178545 1 3503 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 70.31 43.934685 -6.357086 -15.04589 1 3504 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 68.36 43.414116 -5.9856205 -12.960625 1 3505 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 94.14 37.88015 -5.533327 -13.089167 1 3506 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 93.75 36.847473 -5.857472 -12.101851 1 3507 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 93.36 37.517487 -6.1991005 -10.772011 1 3508 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 91.8 38.636963 -6.717847 -10.741228 1 3509 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 92.58 35.991646 -7.0362515 -12.566008 1 3510 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 88.67 35.025414 -6.7059727 -13.692988 1 3511 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 85.94 34.15547 -7.91742 -14.015839 1 3512 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 80.08 33.12532 -7.576585 -15.087355 1 3513 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 73.05 32.264633 -8.74053 -15.395209 1 3514 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 93.36 36.80339 -5.922826 -9.668781 1 3515 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 92.58 37.330254 -6.259149 -8.35809 1 3516 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 92.97 37.009163 -7.716092 -8.037071 1 3517 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 91.02 36.501144 -8.451611 -8.894215 1 3518 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 91.02 36.7791 -5.320216 -7.2812476 1 3519 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 89.45 35.264687 -5.348436 -7.161518 1 3520 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 82.81 34.620358 -6.356142 -7.460925 1 3521 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 83.59 34.677975 -4.2433167 -6.7058005 1 3522 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 92.97 37.325333 -8.164876 -6.835088 1 3523 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 92.97 37.104294 -9.54915 -6.44226 1 3524 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 93.75 35.6361 -9.959035 -6.4862585 1 3525 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 91.41 35.323223 -11.155091 -6.536708 1 3526 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 91.02 37.65748 -9.789743 -5.0341344 1 3527 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 82.42 36.951057 -8.981367 -3.9489372 1 3528 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 76.95 37.54389 -9.279041 -2.5716562 1 3529 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 69.14 36.84034 -8.481377 -1.4936962 1 3530 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 61.72 37.38875 -8.766279 -0.15474539 1 3531 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 93.36 34.721676 -8.977557 -6.46382 1 3532 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 93.36 33.290916 -9.250526 -6.528965 1 3533 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 94.53 32.754066 -9.230197 -7.962794 1 3534 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 93.36 31.549963 -9.336523 -8.175202 1 3535 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 91.8 32.518032 -8.231228 -5.6847057 1 3536 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 87.89 32.91139 -8.260897 -4.2194567 1 3537 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 83.59 33.07583 -9.373926 -3.6705642 1 3538 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 82.81 33.07084 -7.177294 -3.6220157 1 3539 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 94.53 33.65867 -9.115981 -8.931638 1 3540 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 94.53 33.258904 -9.100457 -10.3276615 1 3541 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 95.7 32.5967 -7.8114624 -10.772247 1 3542 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 94.53 31.796255 -7.81153 -11.71557 1 3543 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 95.7 32.932705 -6.7064915 -10.114418 1 3544 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 95.7 32.350407 -5.410593 -10.447738 1 3545 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 96.09 33.44658 -4.3704696 -10.659576 1 3546 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 95.7 34.571938 -4.5312824 -10.180323 1 3547 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 95.31 31.397709 -4.94617 -9.337966 1 3548 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 90.23 30.194092 -5.8650675 -9.144638 1 3549 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 87.11 29.26679 -5.330883 -8.065775 1 3550 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 79.69 28.048841 -6.2351265 -7.89824 1 3551 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 71.88 27.130638 -5.7204337 -6.8651786 1 3552 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 95.7 33.076317 -3.3002515 -11.360945 1 3553 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 96.48 34.004265 -2.2062612 -11.5929985 1 3554 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 96.48 33.860596 -1.1740714 -10.481865 1 3555 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 96.09 32.7411 -0.867406 -10.05047 1 3556 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 95.7 33.738564 -1.5441421 -12.949947 1 3557 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 95.7 34.005753 -2.4651163 -14.122918 1 3558 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 93.75 32.986206 -3.225451 -14.682566 1 3559 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 93.75 35.28332 -2.5662518 -14.663369 1 3560 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 92.58 33.234653 -4.0773315 -15.750523 1 3561 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 92.58 35.537727 -3.4156425 -15.732813 1 3562 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 93.36 34.509422 -4.168704 -16.267689 1 3563 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 91.8 34.757576 -5.0120792 -17.32312 1 3564 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 95.7 34.98696 -0.6565619 -10.021112 1 3565 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 95.7 34.973415 0.3620705 -8.978009 1 3566 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 96.48 34.782524 1.7344806 -9.603024 1 3567 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 96.09 35.35941 2.0353365 -10.655561 1 3568 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 94.92 36.279312 0.33369628 -8.1781225 1 3569 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 91.02 36.42837 -0.9405601 -7.3742857 1 3570 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 86.72 35.443573 -1.3696848 -6.7449226 1 3571 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 85.16 37.537697 -1.5095887 -7.370363 1 3572 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 96.09 33.97044 2.566237 -8.977024 1 3573 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 96.48 33.69147 3.9138563 -9.445526 1 3574 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 96.48 34.05607 4.915726 -8.357206 1 3575 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 95.7 33.77823 4.684907 -7.1779284 1 3576 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 96.09 32.205338 4.080434 -9.7883 1 3577 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 94.92 31.552433 3.0604086 -10.732742 1 3578 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 92.97 30.056095 3.352739 -10.836353 1 3579 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 92.19 32.207504 3.0834389 -12.097835 1 3580 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 95.7 34.671566 6.02495 -8.753293 1 3581 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 95.7 34.99829 7.095044 -7.825067 1 3582 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 96.09 34.714027 8.428099 -8.510746 1 3583 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 95.7 35.072205 8.622534 -9.674118 1 3584 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 94.53 36.470646 7.054902 -7.366316 1 3585 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 90.62 36.739227 5.7836695 -6.547665 1 3586 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 90.62 36.804817 8.300082 -6.5247936 1 3587 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 82.03 38.180054 5.666127 -6.059214 1 3588 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 95.7 34.055786 9.318159 -7.802726 1 3589 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 95.7 33.77452 10.652499 -8.320528 1 3590 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 95.7 33.903183 11.651947 -7.179912 1 3591 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 95.31 33.570374 11.340824 -6.0332804 1 3592 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 95.31 32.374676 10.725046 -8.928717 1 3593 +ATOM N N . THR C0 3 35 . 35 THR C0 N 94.14 34.40726 12.837072 -7.4903507 1 3594 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 93.75 34.51847 13.888469 -6.491229 1 3595 +ATOM C C . THR C0 3 35 . 35 THR C0 C 94.14 33.506042 14.973464 -6.834942 1 3596 +ATOM O O . THR C0 3 35 . 35 THR C0 O 93.36 33.55845 15.561392 -7.9138937 1 3597 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 92.58 35.93164 14.4842 -6.4466524 1 3598 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 86.33 36.86532 13.446522 -6.1197844 1 3599 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 85.55 36.02541 15.58917 -5.4035115 1 3600 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 94.53 32.567787 15.20733 -5.936481 1 3601 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 93.75 31.515694 16.191967 -6.143141 1 3602 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 93.36 31.519722 17.153423 -4.958719 1 3603 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 91.8 31.341297 16.732162 -3.808486 1 3604 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 92.58 30.129059 15.519148 -6.2683477 1 3605 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 87.89 29.041897 16.566654 -6.451686 1 3606 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 87.89 30.119656 14.529142 -7.4291525 1 3607 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 90.23 31.75236 18.42781 -5.2516947 1 3608 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 89.06 31.7751 19.47652 -4.229836 1 3609 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 90.23 32.641727 19.085842 -3.0318966 1 3610 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 86.72 32.197445 19.090847 -1.883055 1 3611 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 86.33 30.35162 19.812859 -3.767419 1 3612 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 80.47 29.51519 20.425795 -4.8765473 1 3613 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 74.22 30.089354 21.13377 -5.7326164 1 3614 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 73.44 28.286528 20.204372 -4.8954706 1 3615 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 91.41 33.882523 18.725298 -3.3255448 1 3616 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 91.02 34.906136 18.394743 -2.3343658 1 3617 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 92.19 34.721832 17.04921 -1.6391459 1 3618 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 90.23 35.514694 16.699747 -0.7691827 1 3619 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 87.89 34.998127 19.50733 -1.2716709 1 3620 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 77.34 35.17343 20.907282 -1.832833 1 3621 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 72.27 35.09372 21.946678 -0.7180921 1 3622 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 63.67 35.15434 23.360369 -1.2845109 1 3623 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 55.86 34.999985 24.372501 -0.20864406 1 3624 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 94.53 33.693115 16.30935 -2.0094337 1 3625 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 94.92 33.434944 15.018831 -1.3807404 1 3626 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 95.31 33.689804 13.883772 -2.3699255 1 3627 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 94.14 33.187805 13.910996 -3.4974084 1 3628 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 93.75 31.989838 14.945778 -0.87741864 1 3629 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 90.62 31.579302 13.631868 -0.19576132 1 3630 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 87.89 30.073763 13.600875 0.01689357 1 3631 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 86.33 32.313057 13.475407 1.1353517 1 3632 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 94.92 34.470257 12.894035 -1.9334683 1 3633 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 94.92 34.723312 11.730871 -2.7796066 1 3634 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 95.7 33.613678 10.703306 -2.5794644 1 3635 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 95.31 33.337894 10.279686 -1.4553053 1 3636 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 93.36 36.07753 11.10002 -2.4517112 1 3637 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 86.72 36.43804 9.942459 -3.3639803 1 3638 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 85.16 37.829334 9.39117 -3.0951438 1 3639 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 80.08 38.803913 9.882179 -3.694183 1 3640 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 78.91 37.94272 8.471086 -2.2578096 1 3641 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 96.09 32.97792 10.328318 -3.6752124 1 3642 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 96.48 31.91526 9.333155 -3.649486 1 3643 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 96.48 32.446617 8.03596 -4.2482142 1 3644 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 95.7 33.236088 8.05825 -5.1907816 1 3645 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 96.48 30.700203 9.806568 -4.454234 1 3646 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 95.31 30.152954 11.197678 -4.1135025 1 3647 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 94.14 28.988054 11.539745 -5.0346985 1 3648 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 93.36 29.72985 11.268235 -2.6573453 1 3649 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 96.48 32.019073 6.9216857 -3.6947503 1 3650 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 96.09 32.471024 5.616704 -4.1688595 1 3651 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 96.48 31.297604 4.685625 -4.4523697 1 3652 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 96.09 30.249722 4.7836933 -3.8141062 1 3653 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 94.92 33.40245 4.967358 -3.13379 1 3654 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 88.28 34.689648 5.7413073 -2.8913522 1 3655 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 85.55 35.588844 5.003521 -1.9076138 1 3656 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 76.95 36.8973 5.759165 -1.7071788 1 3657 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 70.31 37.791237 5.047083 -0.78006154 1 3658 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 96.09 31.512295 3.7910228 -5.3977013 1 3659 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 96.09 30.48967 2.8137832 -5.7336164 1 3660 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 96.48 31.06116 1.7349625 -6.6314635 1 3661 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 95.7 32.243347 1.753031 -6.970232 1 3662 +ATOM N N . THR C0 3 44 . 44 THR C0 N 96.09 30.213594 0.76496077 -6.992407 1 3663 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 96.09 30.613192 -0.29690892 -7.9077826 1 3664 +ATOM C C . THR C0 3 44 . 44 THR C0 C 96.48 29.518038 -0.48759657 -8.947568 1 3665 +ATOM O O . THR C0 3 44 . 44 THR C0 O 95.7 28.37075 -0.08361517 -8.744152 1 3666 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 94.92 30.85265 -1.6346283 -7.1733756 1 3667 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 87.5 29.664228 -2.0171037 -6.4710307 1 3668 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 86.33 32.01375 -1.5378007 -6.202326 1 3669 +ATOM N N . SER C0 3 45 . 45 SER C0 N 96.48 29.896164 -1.0857735 -10.066729 1 3670 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 96.48 28.93935 -1.2857051 -11.150229 1 3671 +ATOM C C . SER C0 3 45 . 45 SER C0 C 96.48 29.297092 -2.519105 -11.964669 1 3672 +ATOM O O . SER C0 3 45 . 45 SER C0 O 95.7 30.471996 -2.8852534 -12.069243 1 3673 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 95.7 28.907711 -0.0537678 -12.0598755 1 3674 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 92.19 28.074932 -0.26075366 -13.188412 1 3675 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 95.31 28.280048 -3.1528835 -12.552485 1 3676 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 94.92 28.514332 -4.289433 -13.444099 1 3677 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 95.31 28.952927 -3.8013668 -14.823397 1 3678 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 94.14 29.414701 -4.5949516 -15.639941 1 3679 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 93.36 27.24107 -5.1343737 -13.592201 1 3680 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 86.72 26.929878 -5.945238 -12.34947 1 3681 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 80.08 27.875822 -6.502639 -11.747784 1 3682 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 79.3 25.740665 -6.0325084 -11.979151 1 3683 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 94.92 28.800125 -2.5150373 -15.070896 1 3684 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 94.92 29.182928 -1.9240315 -16.346676 1 3685 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 95.7 30.475035 -1.1309078 -16.194107 1 3686 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 94.53 30.763233 -0.6028233 -15.114226 1 3687 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 93.36 28.06484 -1.0024073 -16.86324 1 3688 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 89.06 26.756187 -1.7204654 -17.157948 1 3689 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 85.55 25.723988 -0.76513326 -17.73087 1 3690 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 79.3 24.445055 -1.4656563 -18.141308 1 3691 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 72.27 23.715996 -2.0236573 -16.982197 1 3692 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 94.53 31.236736 -1.0345366 -17.278465 1 3693 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 93.75 32.49704 -0.3038184 -17.236803 1 3694 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 94.53 32.436424 1.0149889 -17.996832 1 3695 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 93.36 33.46567 1.5958436 -18.321733 1 3696 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 91.8 33.639187 -1.1723359 -17.778992 1 3697 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 89.45 33.508392 -1.4780928 -19.273445 1 3698 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 82.42 32.505646 -1.1653612 -19.91127 1 3699 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 81.64 34.53211 -2.1103945 -19.834429 1 3700 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 95.31 31.207985 1.4950683 -18.260307 1 3701 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 95.31 31.043547 2.7293763 -19.016663 1 3702 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 95.7 30.895626 3.9675188 -18.127739 1 3703 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 94.14 30.727335 5.0769587 -18.640385 1 3704 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 94.53 29.848701 2.622073 -19.965706 1 3705 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 94.14 28.517593 2.5511982 -19.248001 1 3706 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 88.67 28.45631 2.3607504 -18.032722 1 3707 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 88.67 27.433455 2.703531 -19.986057 1 3708 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 94.92 30.95453 3.8067656 -16.823761 1 3709 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 95.7 30.823463 4.9184637 -15.904695 1 3710 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 96.48 29.456959 5.0533776 -15.266523 1 3711 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 96.09 29.268343 5.8876643 -14.376444 1 3712 +ATOM N N . SER C0 3 51 . 51 SER C0 N 96.88 28.480919 4.2650156 -15.701702 1 3713 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 96.88 27.140364 4.3286376 -15.131611 1 3714 +ATOM C C . SER C0 3 51 . 51 SER C0 C 96.88 27.109455 3.589665 -13.798534 1 3715 +ATOM O O . SER C0 3 51 . 51 SER C0 O 96.48 27.88642 2.662837 -13.566986 1 3716 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 96.09 26.110056 3.7350712 -16.096594 1 3717 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 90.23 26.335274 2.350834 -16.29198 1 3718 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 96.09 26.208939 4.0252647 -12.927324 1 3719 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 96.48 26.09803 3.3708405 -11.635095 1 3720 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 97.27 25.718372 4.340559 -10.534744 1 3721 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 96.88 25.298752 5.4691896 -10.793682 1 3722 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 95.31 25.847038 3.866455 -9.30578 1 3723 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 95.31 25.493376 4.6672244 -8.141899 1 3724 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 95.7 26.720875 4.803582 -7.236559 1 3725 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 95.31 27.407383 3.814115 -6.9623547 1 3726 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 94.53 24.330433 4.023674 -7.3535504 1 3727 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 91.41 24.030933 4.825228 -6.0954256 1 3728 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 91.02 23.088104 3.9259136 -8.232868 1 3729 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 97.27 26.993519 6.0281963 -6.8025913 1 3730 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 97.27 28.103916 6.3031826 -5.9044466 1 3731 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 97.66 27.56582 7.0132885 -4.6720705 1 3732 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 97.27 26.621677 7.8064737 -4.7694874 1 3733 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 96.88 29.162598 7.1855116 -6.578142 1 3734 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 95.7 29.839338 6.6431417 -7.838978 1 3735 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 94.14 31.21603 7.2632227 -8.009331 1 3736 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 93.36 28.968803 6.904129 -9.064856 1 3737 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 96.88 28.16189 6.734253 -3.5285025 1 3738 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 96.09 27.691307 7.31925 -2.2840884 1 3739 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 96.88 28.847588 7.830858 -1.4230933 1 3740 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 96.09 29.977297 7.3595495 -1.5392377 1 3741 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 94.92 26.86897 6.305424 -1.4808487 1 3742 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 88.28 25.594646 5.869665 -2.19193 1 3743 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 86.33 24.787619 4.8625097 -1.3942667 1 3744 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 81.25 23.603369 4.6527414 -1.7251115 1 3745 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 81.25 25.326256 4.2879696 -0.4304884 1 3746 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 96.48 28.528412 8.781109 -0.5562323 1 3747 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 96.48 29.509766 9.335152 0.36111316 1 3748 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 96.88 28.807686 10.004742 1.5278089 1 3749 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 96.48 27.591167 10.19877 1.5027514 1 3750 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 96.48 29.580204 10.348955 2.5572577 1 3751 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 96.48 29.031773 10.979445 3.7536151 1 3752 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 96.48 29.790726 12.278921 4.0316534 1 3753 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 95.7 31.027025 12.2862 4.0506563 1 3754 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 95.7 29.131153 10.045348 4.980522 1 3755 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 92.97 28.539959 10.714275 6.2165327 1 3756 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 93.36 28.426907 8.725386 4.7003603 1 3757 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 95.31 29.031036 13.368658 4.2327094 1 3758 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 95.31 29.640978 14.657018 4.528558 1 3759 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 95.7 30.037945 14.750402 6.0001364 1 3760 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 94.92 29.661459 13.901596 6.8164425 1 3761 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 94.14 28.678991 15.799194 4.1789217 1 3762 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 88.67 28.427036 15.971611 2.6964264 1 3763 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 85.16 27.594498 17.21971 2.4408865 1 3764 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 80.08 27.454746 17.490334 0.9609317 1 3765 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 73.83 26.69396 18.734344 0.7129845 1 3766 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 94.53 30.777138 15.809118 6.3410816 1 3767 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 93.36 31.225962 16.013962 7.718693 1 3768 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 93.75 30.05835 16.160706 8.691383 1 3769 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 92.19 30.155785 15.753664 9.84947 1 3770 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 92.19 32.133095 17.241684 7.792607 1 3771 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 92.58 28.944654 16.748617 8.220819 1 3772 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 92.58 27.779331 16.92374 9.080481 1 3773 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 93.36 26.899628 15.671074 9.133875 1 3774 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 92.19 25.779121 15.718185 9.634916 1 3775 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 91.02 26.94744 18.139603 8.63891 1 3776 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 91.8 26.318954 17.971325 7.2678757 1 3777 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 89.45 26.528893 16.921959 6.622964 1 3778 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 87.89 25.598278 18.896358 6.834216 1 3779 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 93.75 27.427555 14.564004 8.58622 1 3780 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 93.75 26.773733 13.254701 8.552052 1 3781 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 94.53 25.63047 13.148888 7.5450563 1 3782 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 93.36 24.940636 12.130734 7.50346 1 3783 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 91.41 26.301708 12.839471 9.955185 1 3784 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 82.42 27.447899 12.669516 10.939678 1 3785 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 76.95 26.950634 12.111817 12.271547 1 3786 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 68.36 28.120228 11.925455 13.232487 1 3787 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 59.77 27.660927 11.388778 14.53297 1 3788 +ATOM N N . SER C0 3 62 . 62 SER C0 N 94.14 25.41943 14.199734 6.7564106 1 3789 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 94.14 24.434408 14.095734 5.6877007 1 3790 +ATOM C C . SER C0 3 62 . 62 SER C0 C 95.31 25.01589 13.146702 4.6432457 1 3791 +ATOM O O . SER C0 3 62 . 62 SER C0 O 94.92 26.239079 13.025108 4.5098147 1 3792 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 92.58 24.131138 15.466694 5.070235 1 3793 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 86.72 25.284176 16.05752 4.5097857 1 3794 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 95.31 24.154045 12.470127 3.9260101 1 3795 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 95.31 24.60376 11.476578 2.953115 1 3796 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 96.09 24.355028 11.953184 1.5242815 1 3797 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 96.09 23.332542 12.593073 1.2454233 1 3798 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 93.75 23.912704 10.133633 3.2199025 1 3799 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 89.45 24.256447 9.594129 4.6029344 1 3800 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 86.33 23.610321 8.247887 4.887135 1 3801 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 78.91 24.000198 7.756707 6.278413 1 3802 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 71.09 23.369387 6.4726143 6.604325 1 3803 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 97.27 25.300858 11.660938 0.6498819 1 3804 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 96.88 25.238396 12.094822 -0.73865044 1 3805 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 97.66 25.201977 10.875972 -1.6567785 1 3806 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 96.88 25.950092 9.918558 -1.4618547 1 3807 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 96.48 26.442408 12.990462 -1.1006485 1 3808 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 93.75 26.344263 13.465018 -2.5457168 1 3809 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 93.75 26.529179 14.1692505 -0.1480312 1 3810 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 96.48 24.331646 10.930374 -2.6490676 1 3811 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 96.48 24.189125 9.833843 -3.5979748 1 3812 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 96.48 24.196201 10.392584 -5.022546 1 3813 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 96.48 23.41586 11.290689 -5.339263 1 3814 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 95.31 22.881474 9.07035 -3.3408735 1 3815 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 91.02 22.638203 7.903707 -4.279194 1 3816 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 89.45 21.318203 7.2180915 -3.9267907 1 3817 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 83.2 21.025146 6.0570755 -4.8636136 1 3818 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 77.73 19.760738 5.381526 -4.497914 1 3819 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 97.66 25.10923 9.882347 -5.8338566 1 3820 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 97.66 25.207752 10.285295 -7.229348 1 3821 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 97.66 24.80756 9.109781 -8.108091 1 3822 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 97.66 25.411419 8.035807 -8.029093 1 3823 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 97.27 26.639618 10.722348 -7.572715 1 3824 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 96.48 26.919184 11.031128 -9.04988 1 3825 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 94.92 28.411 11.252325 -9.271326 1 3826 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 94.92 26.118187 12.240847 -9.5191345 1 3827 +ATOM N N . THR C0 3 67 . 67 THR C0 N 96.48 23.77755 9.301203 -8.908895 1 3828 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 96.09 23.318058 8.256283 -9.815745 1 3829 +ATOM C C . THR C0 3 67 . 67 THR C0 C 96.48 23.646555 8.676323 -11.25062 1 3830 +ATOM O O . THR C0 3 67 . 67 THR C0 O 96.48 23.275126 9.766406 -11.680278 1 3831 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 95.31 21.805115 8.024155 -9.673132 1 3832 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 92.19 21.505054 7.672052 -8.316059 1 3833 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 92.19 21.333931 6.9044313 -10.599021 1 3834 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 97.66 24.368258 7.813157 -11.94496 1 3835 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 97.27 24.754616 8.070083 -13.328341 1 3836 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 97.66 23.951836 7.118526 -14.213468 1 3837 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 96.88 24.022587 5.8987036 -14.0424 1 3838 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 97.27 26.264965 7.8341312 -13.531939 1 3839 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 96.09 27.069307 8.668795 -12.530659 1 3840 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 95.7 26.665302 8.164767 -14.973503 1 3841 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 93.75 28.52566 8.248564 -12.393646 1 3842 +ATOM N N . SER C0 3 69 . 69 SER C0 N 97.27 23.162937 7.671554 -15.137778 1 3843 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 96.88 22.30217 6.8571367 -15.990548 1 3844 +ATOM C C . SER C0 3 69 . 69 SER C0 C 96.88 23.116966 5.9303217 -16.89257 1 3845 +ATOM O O . SER C0 3 69 . 69 SER C0 O 96.88 24.274921 6.2058516 -17.205727 1 3846 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 96.09 21.39492 7.743537 -16.850025 1 3847 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 90.62 22.15844 8.557481 -17.72907 1 3848 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 96.48 22.499165 4.8213363 -17.30235 1 3849 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 95.7 23.168663 3.8199947 -18.128645 1 3850 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 96.09 23.712208 4.4008684 -19.434113 1 3851 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 94.92 24.778955 3.9953408 -19.888937 1 3852 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 94.53 22.220541 2.659545 -18.440868 1 3853 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 88.28 22.035624 1.7168922 -17.261667 1 3854 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 81.64 22.782196 1.8393348 -16.266363 1 3855 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 80.47 21.138031 0.8503394 -17.33388 1 3856 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 96.09 22.97358 5.3571568 -20.036787 1 3857 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 95.7 23.429188 5.954374 -21.285917 1 3858 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 96.09 24.344982 7.1567326 -21.063824 1 3859 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 94.53 24.729351 7.8224554 -22.026726 1 3860 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 94.53 22.231602 6.346351 -22.169004 1 3861 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 92.58 21.360233 7.4368696 -21.566826 1 3862 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 88.67 21.680763 7.946415 -20.465721 1 3863 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 87.89 20.349756 7.794547 -22.204937 1 3864 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 95.7 24.684477 7.431703 -19.814388 1 3865 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 96.09 25.551867 8.530334 -19.401382 1 3866 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 96.09 24.983608 9.90784 -19.747116 1 3867 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 94.92 25.707558 10.904022 -19.70306 1 3868 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 95.7 26.95716 8.395521 -20.015106 1 3869 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 94.92 27.667082 7.0640507 -19.808456 1 3870 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 92.97 29.04862 7.110574 -20.44884 1 3871 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 92.19 27.783016 6.748356 -18.320635 1 3872 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 96.48 23.693783 9.959133 -20.071404 1 3873 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 96.09 23.072659 11.205132 -20.473743 1 3874 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 96.48 22.478481 12.028831 -19.35181 1 3875 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 95.31 21.976284 13.131306 -19.5807 1 3876 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 96.88 22.529041 11.506977 -18.135544 1 3877 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 96.88 21.93538 12.214249 -17.006008 1 3878 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 97.27 22.59401 11.818042 -15.688726 1 3879 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 96.88 22.999107 10.6646805 -15.515511 1 3880 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 95.7 20.436558 11.90523 -16.947666 1 3881 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 91.02 19.676071 12.632792 -15.85718 1 3882 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 89.45 18.200436 12.283026 -15.854164 1 3883 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 81.64 17.433178 12.7885895 -16.673649 1 3884 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 80.08 17.81054 11.385855 -14.955402 1 3885 +ATOM N N . THR C0 3 75 . 75 THR C0 N 97.27 22.701653 12.783878 -14.789167 1 3886 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 97.27 23.179123 12.510053 -13.444263 1 3887 +ATOM C C . THR C0 3 75 . 75 THR C0 C 97.27 22.156635 13.059133 -12.457741 1 3888 +ATOM O O . THR C0 3 75 . 75 THR C0 O 97.27 21.491316 14.064861 -12.728697 1 3889 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 96.48 24.548012 13.151394 -13.142369 1 3890 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 92.58 24.459362 14.568695 -13.265094 1 3891 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 92.19 25.626675 12.61984 -14.064484 1 3892 +ATOM N N . THR C0 3 76 . 76 THR C0 N 96.88 22.02325 12.367083 -11.3307495 1 3893 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 96.88 21.128494 12.804913 -10.267588 1 3894 +ATOM C C . THR C0 3 76 . 76 THR C0 C 96.88 21.962955 12.841698 -8.9897375 1 3895 +ATOM O O . THR C0 3 76 . 76 THR C0 O 97.27 22.507284 11.817871 -8.571855 1 3896 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 96.48 19.939465 11.84911 -10.088253 1 3897 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 94.14 19.183167 11.796541 -11.304083 1 3898 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 94.14 19.031775 12.31971 -8.952425 1 3899 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 96.88 22.0776 14.038941 -8.404938 1 3900 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 97.27 22.837486 14.20783 -7.174472 1 3901 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 97.27 21.85543 14.512585 -6.046067 1 3902 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 96.88 21.152424 15.529779 -6.0854893 1 3903 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 96.48 23.85749 15.350542 -7.3132133 1 3904 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 95.7 24.77511 15.571899 -6.1131277 1 3905 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 93.75 25.564663 16.86208 -6.2906775 1 3906 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 93.75 25.712845 14.391613 -5.926132 1 3907 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 96.88 21.80568 13.634467 -5.065463 1 3908 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 96.48 20.87315 13.781992 -3.9580722 1 3909 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 97.27 21.621805 13.879784 -2.6331005 1 3910 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 96.88 22.608604 13.1757555 -2.410212 1 3911 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 96.09 19.902111 12.594368 -3.9028313 1 3912 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 94.14 18.991543 12.493124 -5.1182246 1 3913 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 93.36 18.24244 11.17257 -5.186726 1 3914 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 90.23 16.997904 11.1946535 -5.2641554 1 3915 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 90.62 18.903843 10.121419 -5.1534777 1 3916 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 96.48 21.136753 14.767124 -1.7684481 1 3917 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 96.48 21.699795 14.913048 -0.43032846 1 3918 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 96.88 20.588627 14.56855 0.5489435 1 3919 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 96.48 19.471077 15.083803 0.43801647 1 3920 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 96.09 22.22195 16.344715 -0.16559923 1 3921 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 94.14 22.807219 16.438133 1.236069 1 3922 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 94.14 23.271446 16.725067 -1.2144976 1 3923 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 95.31 20.887852 13.686335 1.4876094 1 3924 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 95.31 19.91185 13.214504 2.4710772 1 3925 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 95.31 20.323566 13.584967 3.888657 1 3926 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 94.53 21.492737 13.857386 4.1558876 1 3927 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 94.53 19.776073 11.6932745 2.4035792 1 3928 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 94.14 19.368694 11.151644 1.0682578 1 3929 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 92.97 20.329227 10.825141 0.11969186 1 3930 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 92.58 18.032745 10.971678 0.7548698 1 3931 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 91.8 19.956486 10.322034 -1.1144738 1 3932 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 91.8 17.657358 10.470703 -0.48116085 1 3933 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 92.19 18.62026 10.142532 -1.4171281 1 3934 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 92.19 19.339108 13.534502 4.7937746 1 3935 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 92.19 19.638805 13.686196 6.207587 1 3936 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 91.8 20.45164 12.472902 6.633712 1 3937 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 90.23 20.666536 11.534938 5.860787 1 3938 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 90.23 18.353449 13.771654 7.0395937 1 3939 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 85.94 17.596674 15.081314 6.9198194 1 3940 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 83.59 16.420214 15.084829 7.8889465 1 3941 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 78.12 15.646827 16.392345 7.8234715 1 3942 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 72.66 14.502768 16.380959 8.763271 1 3943 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 91.8 20.858028 12.455788 7.8913374 1 3944 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 89.84 21.662159 11.365294 8.433233 1 3945 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 89.45 20.997688 9.991529 8.276334 1 3946 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 86.33 21.688515 8.978914 8.150782 1 3947 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 87.11 21.966206 11.642773 9.913742 1 3948 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 79.69 22.880325 10.615994 10.572903 1 3949 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 75.39 23.219948 10.964483 12.006392 1 3950 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 69.53 22.74517 12.021236 12.494732 1 3951 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 69.53 23.96125 10.206608 12.657297 1 3952 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 89.84 19.651688 9.954353 8.2441 1 3953 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 89.45 18.946789 8.678021 8.134216 1 3954 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 89.06 19.068146 8.053861 6.7385798 1 3955 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 87.89 18.689318 6.9019494 6.541998 1 3956 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 88.28 17.472826 8.818597 8.538313 1 3957 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 88.67 16.676323 9.777441 7.65825 1 3958 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 87.11 17.134521 10.118431 6.539856 1 3959 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 85.94 15.572889 10.184949 8.087547 1 3960 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 91.02 19.611076 8.814308 5.7924523 1 3961 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 90.62 19.817656 8.30888 4.4479856 1 3962 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 91.8 18.564545 8.170236 3.6004906 1 3963 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 89.84 18.63255 7.639885 2.4833772 1 3964 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 93.75 17.439774 8.669014 4.0896063 1 3965 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 93.36 16.175772 8.561323 3.3692355 1 3966 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 93.36 15.502203 9.906637 3.1426651 1 3967 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 91.8 14.9155445 10.134249 2.0805633 1 3968 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 92.19 15.21215 7.6229324 4.1214867 1 3969 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 91.02 15.692795 6.182803 4.2021065 1 3970 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 88.28 14.7109165 5.3447905 5.009517 1 3971 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 85.55 15.18014 3.8996232 5.1057997 1 3972 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 79.69 14.246425 3.098793 5.9176574 1 3973 +ATOM N N . THR C0 3 86 . 86 THR C0 N 92.58 15.571316 10.794123 4.131092 1 3974 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 92.97 14.923481 12.096799 4.040252 1 3975 +ATOM C C . THR C0 3 86 . 86 THR C0 C 93.75 15.738719 13.016472 3.1265364 1 3976 +ATOM O O . THR C0 3 86 . 86 THR C0 O 92.97 16.878292 13.3521385 3.428197 1 3977 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 91.41 14.780882 12.73378 5.4280405 1 3978 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 87.11 14.099113 11.831203 6.2961016 1 3979 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 87.11 14.017337 14.049118 5.3535233 1 3980 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 94.53 15.111465 13.435347 2.0231495 1 3981 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 94.92 15.797063 14.23788 1.0201489 1 3982 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 95.31 15.936382 15.699278 1.4507278 1 3983 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 94.92 14.972145 16.312195 1.9304798 1 3984 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 93.75 15.037109 14.150267 -0.30723768 1 3985 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 92.58 15.738851 14.638345 -1.5741009 1 3986 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 90.62 14.800682 14.449641 -2.7619457 1 3987 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 90.23 17.045975 13.889189 -1.7948167 1 3988 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 94.53 17.131828 16.23846 1.2721086 1 3989 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 94.53 17.424213 17.630669 1.591835 1 3990 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 95.31 17.507053 18.445536 0.30108052 1 3991 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 94.53 16.951828 19.542572 0.21613865 1 3992 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 93.36 18.7412 17.75599 2.384366 1 3993 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 89.45 19.122026 19.219185 2.5642126 1 3994 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 89.45 18.613953 17.051525 3.7332053 1 3995 +ATOM N N . SER C0 3 89 . 89 SER C0 N 96.48 18.189598 17.913921 -0.6972822 1 3996 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 96.48 18.302963 18.573235 -1.9887545 1 3997 +ATOM C C . SER C0 3 89 . 89 SER C0 C 96.48 18.51363 17.542542 -3.0869527 1 3998 +ATOM O O . SER C0 3 89 . 89 SER C0 O 96.48 18.950125 16.421192 -2.8262153 1 3999 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 95.31 19.4454 19.591242 -2.000666 1 4000 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 90.62 20.69919 18.958004 -1.8733642 1 4001 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 96.48 18.184704 17.951881 -4.307182 1 4002 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 96.48 18.306355 17.059875 -5.45545 1 4003 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 96.48 18.597359 17.88518 -6.7051034 1 4004 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 96.09 17.948673 18.91056 -6.927636 1 4005 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 95.31 16.99828 16.272211 -5.649658 1 4006 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 91.8 16.928196 15.456112 -6.9288964 1 4007 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 89.45 15.520584 14.893961 -7.120862 1 4008 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 84.77 15.379969 14.151362 -8.442488 1 4009 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 79.69 13.98688 13.722062 -8.6651745 1 4010 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 96.88 19.576302 17.441677 -7.4824805 1 4011 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 96.48 19.894772 18.113373 -8.733395 1 4012 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 96.88 20.03654 17.081184 -9.844572 1 4013 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 96.48 20.82928 16.152483 -9.733236 1 4014 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 95.7 21.18193 18.939117 -8.622728 1 4015 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 92.19 21.483618 19.730892 -9.892802 1 4016 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 88.67 22.690187 20.641762 -9.721691 1 4017 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 83.59 22.91877 21.476088 -10.981658 1 4018 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 77.34 24.06482 22.384712 -10.824843 1 4019 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 96.88 19.237709 17.263115 -10.883619 1 4020 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 96.88 19.28415 16.38145 -12.047886 1 4021 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 96.88 19.861488 17.197586 -13.201464 1 4022 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 96.48 19.35821 18.280409 -13.509217 1 4023 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 96.09 17.881796 15.857498 -12.427595 1 4024 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 94.14 17.97219 14.9545765 -13.657068 1 4025 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 93.75 17.266285 15.112314 -11.251591 1 4026 +ATOM N N . THR C0 3 93 . 93 THR C0 N 96.88 20.917067 16.697176 -13.807394 1 4027 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 96.88 21.57017 17.397001 -14.904791 1 4028 +ATOM C C . THR C0 3 93 . 93 THR C0 C 96.88 21.609015 16.50321 -16.14486 1 4029 +ATOM O O . THR C0 3 93 . 93 THR C0 O 96.48 21.979244 15.331734 -16.053144 1 4030 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 96.09 23.000652 17.818256 -14.531124 1 4031 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 91.8 22.975143 18.571247 -13.319763 1 4032 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 91.8 23.638687 18.663525 -15.630928 1 4033 +ATOM N N . SER C0 3 94 . 94 SER C0 N 96.88 21.1976 17.06778 -17.274174 1 4034 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 96.09 21.176714 16.320679 -18.529907 1 4035 +ATOM C C . SER C0 3 94 . 94 SER C0 C 96.09 22.372631 16.701283 -19.405968 1 4036 +ATOM O O . SER C0 3 94 . 94 SER C0 O 95.31 23.011215 17.732239 -19.191483 1 4037 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 94.92 19.875866 16.576183 -19.287987 1 4038 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 84.77 18.756376 16.150349 -18.53223 1 4039 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 94.92 22.662601 15.871145 -20.385181 1 4040 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 94.14 23.800856 16.075706 -21.263935 1 4041 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 94.14 23.723198 17.38378 -22.051079 1 4042 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 92.19 24.74613 17.955244 -22.423252 1 4043 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 92.58 23.952843 14.890115 -22.221712 1 4044 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 82.81 25.288382 14.840531 -22.936722 1 4045 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 77.34 25.446014 13.530053 -23.699703 1 4046 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 69.14 26.823097 13.44706 -24.333946 1 4047 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 61.72 27.019316 12.164022 -25.032639 1 4048 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 94.14 22.492033 17.874516 -22.313473 1 4049 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 93.75 22.330793 19.11977 -23.053402 1 4050 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 94.53 22.521345 20.351841 -22.163742 1 4051 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 93.36 22.22253 21.470371 -22.582382 1 4052 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 92.97 20.956448 19.169704 -23.743458 1 4053 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 92.19 19.784573 19.25716 -22.777771 1 4054 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 89.45 20.00431 19.194443 -21.545113 1 4055 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 88.28 18.640371 19.396809 -23.249191 1 4056 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 93.75 23.003834 20.136711 -20.945576 1 4057 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 93.75 23.295662 21.163263 -19.947632 1 4058 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 94.92 22.06773 21.715845 -19.225395 1 4059 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 94.53 22.18848 22.625927 -18.401417 1 4060 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 91.8 24.108864 22.313644 -20.558655 1 4061 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 84.38 25.468575 21.862587 -21.066565 1 4062 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 78.52 26.200684 22.972654 -21.806322 1 4063 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 69.92 26.638535 24.082565 -20.862017 1 4064 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 61.72 27.432404 25.10736 -21.565382 1 4065 +ATOM N N . SER C0 3 98 . 98 SER C0 N 96.09 20.886745 21.180063 -19.51186 1 4066 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 96.09 19.695208 21.584654 -18.772184 1 4067 +ATOM C C . SER C0 3 98 . 98 SER C0 C 96.88 19.743364 20.89537 -17.409718 1 4068 +ATOM O O . SER C0 3 98 . 98 SER C0 O 96.48 20.351437 19.831932 -17.255901 1 4069 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 95.31 18.41519 21.198475 -19.522158 1 4070 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 91.41 18.294426 19.795525 -19.65303 1 4071 +ATOM N N . SER C0 3 99 . 99 SER C0 N 96.88 19.115335 21.537445 -16.416203 1 4072 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 96.88 19.114435 20.941803 -15.087564 1 4073 +ATOM C C . SER C0 3 99 . 99 SER C0 C 96.88 17.901424 21.383568 -14.277822 1 4074 +ATOM O O . SER C0 3 99 . 99 SER C0 O 96.88 17.259298 22.388807 -14.594469 1 4075 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 96.48 20.39376 21.294966 -14.321447 1 4076 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 94.14 20.426838 22.66513 -13.986916 1 4077 +ATOM N N . THR C0 3 100 . 100 THR C0 N 96.88 17.597446 20.58633 -13.253458 1 4078 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 96.48 16.53352 20.91159 -12.309826 1 4079 +ATOM C C . THR C0 3 100 . 100 THR C0 C 96.88 17.126528 20.710396 -10.918061 1 4080 +ATOM O O . THR C0 3 100 . 100 THR C0 O 96.48 17.629988 19.630913 -10.605949 1 4081 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 95.7 15.30377 20.007616 -12.486456 1 4082 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 91.8 14.7796755 20.172596 -13.808392 1 4083 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 91.41 14.219473 20.37359 -11.474075 1 4084 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 96.88 17.089014 21.775194 -10.11694 1 4085 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 96.88 17.629826 21.71758 -8.767157 1 4086 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 97.27 16.522324 22.048433 -7.7748966 1 4087 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 96.88 15.805609 23.041428 -7.9484825 1 4088 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 95.7 18.800621 22.699451 -8.618936 1 4089 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 90.23 19.519966 22.58559 -7.294481 1 4090 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 87.89 20.852638 23.303345 -7.2775416 1 4091 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 82.81 21.186394 23.999268 -8.260654 1 4092 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 82.42 21.588732 23.164764 -6.275199 1 4093 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 97.27 16.387657 21.21494 -6.756689 1 4094 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 96.88 15.3287525 21.386078 -5.7734413 1 4095 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 97.27 15.871471 21.3185 -4.35069 1 4096 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 96.88 16.810427 20.582207 -4.066517 1 4097 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 96.09 14.254522 20.301558 -5.934166 1 4098 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 93.75 13.515746 20.34151 -7.2587323 1 4099 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 94.14 12.75193 19.060436 -7.539877 1 4100 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 91.02 11.506072 19.109509 -7.604027 1 4101 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 91.8 13.40344 18.012177 -7.6852617 1 4102 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 96.48 15.250196 22.091396 -3.4676666 1 4103 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 96.09 15.542637 22.039457 -2.0416262 1 4104 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 96.48 14.239825 21.697971 -1.344218 1 4105 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 96.48 13.164917 22.128422 -1.7768549 1 4106 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 95.7 16.099243 23.378017 -1.5330329 1 4107 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 91.02 17.485477 23.70239 -2.0668583 1 4108 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 87.5 18.03095 24.981812 -1.4421115 1 4109 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 80.08 19.420582 25.290749 -1.9794726 1 4110 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 71.88 19.956747 26.547802 -1.415619 1 4111 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 95.7 14.336098 20.923866 -0.2662274 1 4112 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 96.09 13.147113 20.430096 0.43036607 1 4113 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 96.09 13.106619 20.872334 1.8875631 1 4114 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 95.31 14.153156 21.027401 2.5223856 1 4115 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 95.7 13.098907 18.900623 0.35444573 1 4116 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 95.31 13.111501 18.372763 -1.0507998 1 4117 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 94.14 14.30266 18.257278 -1.7550516 1 4118 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 94.14 11.933773 18.02502 -1.6870551 1 4119 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 93.36 14.313744 17.798492 -3.0637455 1 4120 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 93.36 11.9404 17.56376 -2.9944177 1 4121 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 93.75 13.135435 17.448551 -3.6799283 1 4122 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 95.31 11.888759 21.063772 2.4014385 1 4123 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 94.92 11.740405 21.444328 3.7975698 1 4124 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 95.31 11.626699 20.192373 4.671117 1 4125 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 94.53 11.745844 19.067186 4.1797867 1 4126 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 93.36 10.5422735 22.380339 4.00318 1 4127 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 92.97 9.199646 21.745037 3.6790028 1 4128 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 90.62 9.0653 20.520538 3.6586561 1 4129 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 89.06 8.198961 22.589817 3.4430804 1 4130 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 93.36 11.418184 20.368443 5.9755263 1 4131 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 92.58 11.39938 19.248652 6.907901 1 4132 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 92.58 10.246574 18.275682 6.6670938 1 4133 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 91.02 10.3045 17.13839 7.138747 1 4134 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 90.62 11.371926 19.753296 8.360151 1 4135 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 83.59 10.118744 20.55749 8.71298 1 4136 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 81.64 10.106287 21.022049 10.164854 1 4137 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 77.73 10.999594 20.62684 10.932348 1 4138 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 77.34 9.184824 21.78929 10.5388 1 4139 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 94.14 9.196615 18.712456 5.9368143 1 4140 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 93.75 8.071831 17.8334 5.6269345 1 4141 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 93.75 8.291687 17.035145 4.3423653 1 4142 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 92.58 7.4440165 16.239037 3.956451 1 4143 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 92.97 6.7799335 18.64936 5.488656 1 4144 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 91.02 6.3343124 19.345982 6.7603884 1 4145 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 89.06 5.040731 20.112202 6.5157986 1 4146 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 85.94 4.6067324 20.843994 7.770006 1 4147 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 81.25 3.3623905 21.597885 7.5447006 1 4148 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 92.97 9.439236 17.277905 3.6965923 1 4149 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 92.58 9.70886 16.603365 2.4433062 1 4150 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 93.36 9.036425 17.270205 1.2561138 1 4151 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 92.19 8.905956 16.665066 0.19353905 1 4152 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 94.53 8.609028 18.54346 1.4277332 1 4153 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 94.53 7.9596415 19.301567 0.37386304 1 4154 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 94.92 8.978238 20.234852 -0.27534366 1 4155 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 94.53 9.804251 20.829412 0.41426575 1 4156 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 92.97 6.7946615 20.132893 0.94360614 1 4157 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 88.67 5.721412 19.276798 1.6080687 1 4158 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 87.89 4.7792883 20.071375 2.4975765 1 4159 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 83.98 3.6696453 19.57208 2.7616315 1 4160 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 83.98 5.1433563 21.177082 2.9399781 1 4161 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 95.31 8.895749 20.359535 -1.5794064 1 4162 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 95.7 9.844565 21.231846 -2.2713976 1 4163 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 95.7 9.600585 22.688766 -1.8483758 1 4164 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 95.31 8.457016 23.15227 -1.8045425 1 4165 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 94.92 9.751451 21.066624 -3.809581 1 4166 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 92.58 10.874861 21.830536 -4.4951377 1 4167 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 92.19 8.389257 21.492035 -4.3299193 1 4168 +ATOM N N . SER C0 3 111 . 111 SER C0 N 96.48 10.679876 23.38121 -1.4843384 1 4169 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 96.48 10.582981 24.770897 -1.0424938 1 4170 +ATOM C C . SER C0 3 111 . 111 SER C0 C 96.88 11.215347 25.721127 -2.0549881 1 4171 +ATOM O O . SER C0 3 111 . 111 SER C0 O 96.48 10.847347 26.895695 -2.1029425 1 4172 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 95.31 11.260187 24.950016 0.3232224 1 4173 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 90.62 12.621275 24.565311 0.26867875 1 4174 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 97.27 12.150515 25.23059 -2.8578773 1 4175 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 97.27 12.79579 25.999414 -3.9101334 1 4176 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 97.27 13.028864 25.093437 -5.109952 1 4177 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 96.88 13.276648 23.897211 -4.948571 1 4178 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 95.7 14.148504 26.562931 -3.4487228 1 4179 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 89.84 14.059435 27.53815 -2.2835848 1 4180 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 89.45 15.416826 28.07117 -1.8584349 1 4181 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 84.77 15.556307 28.496227 -0.6991985 1 4182 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 84.77 16.350845 28.072193 -2.6893737 1 4183 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 97.27 12.940905 25.689743 -6.286013 1 4184 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 97.27 13.183092 24.912176 -7.4980145 1 4185 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 97.66 13.754084 25.823841 -8.58061 1 4186 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 97.66 13.229096 26.917143 -8.80956 1 4187 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 96.48 11.886006 24.25887 -7.9984 1 4188 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 92.97 12.069723 23.337816 -9.197925 1 4189 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 90.23 10.758092 22.643448 -9.547302 1 4190 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 85.55 10.939434 21.659851 -10.691792 1 4191 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 80.86 9.681681 20.949512 -10.989559 1 4192 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 97.27 14.835303 25.385937 -9.195463 1 4193 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 98.05 15.4654255 26.143568 -10.269241 1 4194 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 97.66 15.586178 25.229465 -11.480593 1 4195 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 97.66 16.208988 24.166828 -11.401547 1 4196 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 97.27 16.866415 26.663391 -9.87229 1 4197 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 96.09 16.768183 27.576797 -8.647501 1 4198 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 96.09 17.505253 27.416601 -11.057487 1 4199 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 91.41 18.126413 28.014357 -8.10639 1 4200 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 96.88 14.963243 25.654037 -12.581632 1 4201 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 97.27 15.041599 24.900656 -13.828615 1 4202 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 97.27 15.932097 25.690168 -14.783962 1 4203 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 97.27 15.6048565 26.822784 -15.140828 1 4204 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 96.48 13.646818 24.69445 -14.457296 1 4205 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 94.53 12.743375 23.919662 -13.492611 1 4206 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 94.53 13.777143 23.96578 -15.805378 1 4207 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 90.62 11.283243 23.867283 -13.925436 1 4208 +ATOM N N . THR C0 3 116 . 116 THR C0 N 96.88 17.053999 25.104841 -15.136386 1 4209 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 96.88 17.970444 25.741543 -16.073797 1 4210 +ATOM C C . THR C0 3 116 . 116 THR C0 C 97.27 17.777346 25.096622 -17.442986 1 4211 +ATOM O O . THR C0 3 116 . 116 THR C0 O 96.88 17.91525 23.880451 -17.583195 1 4212 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 96.48 19.431385 25.595085 -15.6216755 1 4213 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 94.14 19.591389 26.179224 -14.32836 1 4214 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 94.14 20.381588 26.28584 -16.603924 1 4215 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 96.09 17.4118 25.920763 -18.430649 1 4216 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 96.09 17.214214 25.411861 -19.773537 1 4217 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 96.09 18.554495 25.277105 -20.489101 1 4218 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 95.7 19.55702 25.851913 -20.054169 1 4219 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 96.09 16.286963 26.356071 -20.553474 1 4220 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 95.31 14.892507 26.448654 -19.952337 1 4221 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 94.14 14.209208 27.70943 -20.444809 1 4222 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 92.97 12.811024 27.784197 -20.03119 1 4223 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 92.97 12.161204 28.922455 -19.833017 1 4224 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 89.45 12.794493 30.084389 -19.971176 1 4225 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 89.84 10.888619 28.902325 -19.477852 1 4226 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 95.31 18.550217 24.51541 -21.578568 1 4227 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 94.92 19.787674 24.28801 -22.321774 1 4228 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 95.31 20.425264 25.593513 -22.80481 1 4229 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 94.14 21.646309 25.67523 -22.929226 1 4230 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 94.53 19.522278 23.364325 -23.506767 1 4231 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 94.92 19.58223 26.617924 -23.05973 1 4232 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 94.53 20.106178 27.8936 -23.541023 1 4233 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 94.92 20.574505 28.821106 -22.412958 1 4234 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 94.14 20.975803 29.960213 -22.678833 1 4235 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 94.14 19.070992 28.610718 -24.418823 1 4236 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 94.14 17.796625 28.988024 -23.68338 1 4237 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 92.19 17.738922 28.832973 -22.437923 1 4238 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 91.02 16.848734 29.4454 -24.343037 1 4239 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 95.31 20.534615 28.351696 -21.177553 1 4240 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 94.92 21.000088 29.12719 -20.043203 1 4241 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 95.7 19.946991 29.957748 -19.338894 1 4242 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 94.92 20.20948 30.508173 -18.265686 1 4243 +ATOM N N . THR C0 3 121 . 121 THR C0 N 96.48 18.749018 30.083096 -19.928862 1 4244 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 96.88 17.689053 30.817736 -19.248913 1 4245 +ATOM C C . THR C0 3 121 . 121 THR C0 C 97.27 17.13956 29.939043 -18.128233 1 4246 +ATOM O O . THR C0 3 121 . 121 THR C0 O 97.27 17.292376 28.712322 -18.146923 1 4247 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 96.09 16.554232 31.226158 -20.21751 1 4248 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 94.53 15.967197 30.059036 -20.78864 1 4249 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 94.14 17.092625 32.11991 -21.32957 1 4250 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 97.66 16.495749 30.591213 -17.153858 1 4251 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 97.27 16.059055 29.845726 -15.982202 1 4252 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 97.66 14.66128 30.217354 -15.516865 1 4253 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 97.27 14.209953 31.360874 -15.701215 1 4254 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 96.88 17.021484 30.089825 -14.805269 1 4255 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 91.41 18.454967 29.66658 -15.048534 1 4256 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 90.23 19.272709 29.75381 -13.770679 1 4257 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 85.16 19.316906 31.102512 -13.199251 1 4258 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 83.2 20.100548 32.07823 -13.642174 1 4259 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 76.56 20.909105 31.881681 -14.674004 1 4260 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 76.17 20.06329 33.26761 -13.047623 1 4261 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 97.66 14.018101 29.255777 -14.908159 1 4262 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 97.66 12.768457 29.46831 -14.183584 1 4263 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 98.05 13.128599 29.209839 -12.729078 1 4264 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 98.05 13.649294 28.140602 -12.394924 1 4265 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 97.27 11.669586 28.498243 -14.633958 1 4266 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 95.7 10.9694805 28.822067 -15.9542885 1 4267 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 93.75 10.1121025 27.628265 -16.379372 1 4268 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 92.97 10.119152 30.07116 -15.802443 1 4269 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 98.05 12.889909 30.199448 -11.874112 1 4270 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 98.05 13.235741 30.06568 -10.468557 1 4271 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 98.05 11.99448 30.213753 -9.594996 1 4272 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 98.05 11.213159 31.14695 -9.768152 1 4273 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 97.66 14.277075 31.125648 -10.063805 1 4274 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 94.92 15.572725 31.00642 -10.85569 1 4275 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 94.53 16.626278 32.0224 -10.447792 1 4276 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 91.02 17.70919 32.03762 -11.064472 1 4277 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 90.62 16.378578 32.81051 -9.508213 1 4278 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 98.05 11.83227 29.274813 -8.685722 1 4279 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 97.66 10.693981 29.274775 -7.7714643 1 4280 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 98.05 11.196896 29.293287 -6.3372364 1 4281 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 97.27 12.094571 28.519053 -5.9835 1 4282 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 97.66 9.816326 28.043247 -7.996332 1 4283 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 97.66 9.36153 27.887703 -9.435333 1 4284 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 96.48 9.964613 26.965336 -10.288561 1 4285 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 96.88 8.332136 28.675451 -9.945783 1 4286 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 96.09 9.549412 26.821749 -11.605678 1 4287 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 96.09 7.9122114 28.539516 -11.267939 1 4288 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 96.48 8.526804 27.608395 -12.082653 1 4289 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 95.31 8.116171 27.472244 -13.383391 1 4290 +ATOM N N . THR C0 3 126 . 126 THR C0 N 97.66 10.626846 30.158623 -5.5269794 1 4291 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 97.27 10.99638 30.24943 -4.1232862 1 4292 +ATOM C C . THR C0 3 126 . 126 THR C0 C 97.66 9.738627 30.346128 -3.2656052 1 4293 +ATOM O O . THR C0 3 126 . 126 THR C0 O 96.88 8.655479 30.675354 -3.7626162 1 4294 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 96.88 11.898388 31.474586 -3.8423247 1 4295 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 93.75 11.22307 32.660713 -4.2602177 1 4296 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 93.36 13.226488 31.360603 -4.570985 1 4297 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 96.88 9.888098 30.032635 -1.9899548 1 4298 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 96.48 8.76238 30.09417 -1.0733633 1 4299 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 97.27 7.6105604 29.201546 -1.4832916 1 4300 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 96.09 6.451063 29.574905 -1.3036684 1 4301 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 96.09 7.9305654 28.034958 -2.037952 1 4302 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 96.09 6.8841753 27.11826 -2.4826179 1 4303 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 95.7 6.1778975 26.516201 -1.2641616 1 4304 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 94.92 6.8238583 25.998127 -0.35277563 1 4305 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 96.09 7.468628 26.007729 -3.3747258 1 4306 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 95.7 8.156984 26.624535 -4.5996904 1 4307 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 95.31 6.35031 25.044083 -3.816133 1 4308 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 93.75 8.927242 25.623636 -5.441286 1 4309 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 94.53 4.8566008 26.614183 -1.2794969 1 4310 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 94.14 4.0478573 26.084627 -0.19039103 1 4311 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 94.14 3.5959907 24.665241 -0.50363356 1 4312 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 93.36 3.792805 24.149332 -1.6143248 1 4313 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 92.97 2.8228736 26.974583 0.04405138 1 4314 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 85.16 3.1492128 28.462894 0.17729332 1 4315 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 79.69 4.0789084 28.739454 1.3534205 1 4316 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 71.88 4.3942566 30.224174 1.4649544 1 4317 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 64.06 5.3315754 30.499817 2.55281 1 4318 +ATOM N N . SER C0 3 130 . 130 SER C0 N 92.19 2.9877648 24.002857 0.48774728 1 4319 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 91.02 2.5613723 22.618774 0.32280785 1 4320 +ATOM C C . SER C0 3 130 . 130 SER C0 C 91.41 1.5196388 22.443626 -0.7838968 1 4321 +ATOM O O . SER C0 3 130 . 130 SER C0 O 89.45 1.4076903 21.354172 -1.3495545 1 4322 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 89.45 2.0202487 22.072334 1.6528491 1 4323 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 82.81 0.9151756 22.82793 2.0961463 1 4324 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 92.58 0.7628943 23.51849 -1.0991791 1 4325 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 91.8 -0.24001218 23.422714 -2.1495256 1 4326 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 92.19 0.33905953 23.725555 -3.532085 1 4327 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 91.41 -0.3950754 23.785282 -4.512477 1 4328 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 91.02 -1.4391385 24.34859 -1.8611428 1 4329 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 91.41 -1.0793402 25.82859 -1.8542261 1 4330 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 90.23 0.10275273 26.17839 -2.0909526 1 4331 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 87.89 -1.9867709 26.646387 -1.6144264 1 4332 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 94.53 1.647663 23.912403 -3.594472 1 4333 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 94.14 2.309306 24.156986 -4.8591394 1 4334 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 95.31 2.4273853 25.614168 -5.2528644 1 4335 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 94.53 2.9659529 25.914978 -6.3256874 1 4336 +ATOM N N . SER C0 3 133 . 133 SER C0 N 96.88 1.9331677 26.538952 -4.4436455 1 4337 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 96.48 2.0160494 27.959225 -4.754151 1 4338 +ATOM C C . SER C0 3 133 . 133 SER C0 C 97.27 3.3269515 28.549988 -4.254954 1 4339 +ATOM O O . SER C0 3 133 . 133 SER C0 O 96.48 3.9588993 28.009182 -3.3396406 1 4340 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 95.7 0.83058465 28.718014 -4.143318 1 4341 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 89.84 0.89006346 28.713367 -2.7323089 1 4342 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 97.66 3.7215836 29.645496 -4.8817616 1 4343 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 97.66 4.9542456 30.298632 -4.478962 1 4344 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 98.05 5.2920094 31.435991 -5.4202547 1 4345 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 97.66 4.4841886 31.833736 -6.259755 1 4346 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 97.66 6.491471 31.992819 -5.254333 1 4347 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 97.66 6.9756155 33.057808 -6.11943 1 4348 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 98.05 7.686349 32.45008 -7.3202286 1 4349 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 97.66 8.237694 31.350948 -7.2296867 1 4350 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 96.88 7.9321775 33.983406 -5.363785 1 4351 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 89.06 7.283958 34.75593 -4.2288938 1 4352 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 85.55 8.303334 35.679485 -3.5655336 1 4353 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 76.56 7.666032 36.487366 -2.441571 1 4354 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 69.14 8.659674 37.379387 -1.8016713 1 4355 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 98.05 7.648082 33.178085 -8.432617 1 4356 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 98.44 8.293173 32.67887 -9.638749 1 4357 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 98.44 8.990773 33.81311 -10.382231 1 4358 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 98.05 8.535986 34.95997 -10.336613 1 4359 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 98.05 7.2695966 32.01795 -10.555794 1 4360 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 97.66 10.06837 33.49135 -11.036957 1 4361 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 98.05 10.716747 34.446888 -11.913237 1 4362 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 98.05 11.397602 33.695404 -13.046925 1 4363 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 98.05 11.88876 32.58058 -12.863247 1 4364 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 97.66 11.708267 35.35688 -11.171387 1 4365 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 89.45 12.931866 34.69522 -10.583293 1 4366 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 87.5 13.786827 35.758057 -9.887539 1 4367 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 78.91 15.025787 35.143784 -9.257175 1 4368 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 72.27 15.834598 36.192497 -8.571377 1 4369 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 98.05 11.364327 34.32938 -14.209526 1 4370 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 98.05 12.013697 33.74858 -15.376219 1 4371 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 98.05 13.207397 34.62938 -15.7183275 1 4372 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 97.66 13.041571 35.81534 -16.021616 1 4373 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 97.27 11.037762 33.666668 -16.560051 1 4374 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 96.48 11.639648 32.9728 -17.777649 1 4375 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 95.7 10.660199 32.772133 -18.912811 1 4376 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 93.36 9.847909 33.680565 -19.176517 1 4377 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 92.97 10.684271 31.700735 -19.552765 1 4378 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 97.66 14.378 34.057987 -15.615791 1 4379 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 97.66 15.605384 34.789955 -15.88872 1 4380 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 97.27 15.954603 34.599926 -17.36382 1 4381 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 96.48 16.355862 33.514664 -17.783607 1 4382 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 96.88 16.75949 34.308388 -14.990236 1 4383 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 94.92 18.012714 35.145706 -15.242632 1 4384 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 95.31 16.350828 34.382202 -13.5220375 1 4385 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 96.48 15.738784 35.644722 -18.127335 1 4386 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 96.09 16.00246 35.610645 -19.558176 1 4387 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 95.7 17.319767 36.331192 -19.855888 1 4388 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 94.53 18.064043 36.672943 -18.9318 1 4389 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 96.09 14.83315 36.26123 -20.31138 1 4390 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 94.53 13.489159 35.55076 -20.127626 1 4391 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 92.58 12.323599 36.446808 -20.5154 1 4392 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 92.19 13.467931 34.25967 -20.934717 1 4393 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 93.75 17.607355 36.563816 -21.114477 1 4394 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 92.58 18.853043 37.244003 -21.471222 1 4395 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 92.58 18.780067 38.738407 -21.151443 1 4396 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 89.06 18.130259 39.498863 -21.869255 1 4397 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 89.84 19.184723 37.06024 -22.951202 1 4398 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 80.08 19.894976 35.76844 -23.304913 1 4399 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 73.05 18.931465 34.600647 -23.377205 1 4400 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 66.02 19.612663 33.385044 -23.984615 1 4401 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 57.42 18.661148 32.271614 -24.18003 1 4402 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 94.14 19.382896 39.11822 -20.047384 1 4403 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 93.36 19.449245 40.515137 -19.684517 1 4404 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 94.53 18.30916 41.07673 -18.862701 1 4405 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 92.58 18.383871 42.233646 -18.424026 1 4406 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 96.48 17.25822 40.317616 -18.652542 1 4407 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 96.88 16.144962 40.81172 -17.836063 1 4408 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 96.88 15.376965 39.664463 -17.210484 1 4409 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 96.48 15.560988 38.492535 -17.582539 1 4410 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 96.09 15.205398 41.716557 -18.654594 1 4411 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 96.09 14.509899 41.039856 -19.826565 1 4412 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 94.14 15.186408 40.809914 -21.023203 1 4413 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 94.14 13.17699 40.66751 -19.73827 1 4414 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 93.36 14.553232 40.213608 -22.095375 1 4415 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 92.58 12.533024 40.07617 -20.810884 1 4416 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 93.75 13.222572 39.845512 -21.98323 1 4417 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 92.58 12.592209 39.255596 -23.043186 1 4418 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 97.27 14.518231 40.00999 -16.27059 1 4419 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 97.66 13.769681 39.022484 -15.50668 1 4420 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 97.66 12.275793 39.351654 -15.512772 1 4421 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 97.27 11.890499 40.523247 -15.40554 1 4422 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 97.27 14.284416 38.968506 -14.046467 1 4423 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 93.75 13.436432 38.030273 -13.203854 1 4424 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 93.36 15.74604 38.55104 -14.008281 1 4425 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 97.66 11.461509 38.325592 -15.668263 1 4426 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 97.66 10.0142765 38.46248 -15.542601 1 4427 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 97.66 9.64086 37.829945 -14.2078905 1 4428 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 97.66 10.090363 36.719833 -13.899518 1 4429 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 97.66 9.278223 37.738914 -16.677418 1 4430 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 95.31 9.587847 38.189255 -18.107414 1 4431 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 92.58 8.719391 37.41502 -19.088615 1 4432 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 92.19 9.385858 39.685005 -18.276636 1 4433 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 98.05 8.840672 38.524445 -13.418438 1 4434 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 98.05 8.46022 38.03208 -12.107616 1 4435 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 98.05 6.966463 37.757614 -12.029234 1 4436 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 97.27 6.1686974 38.37539 -12.731909 1 4437 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 96.88 8.868868 39.03181 -11.022114 1 4438 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 89.06 10.365345 39.232063 -10.926796 1 4439 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 87.11 10.765523 40.12061 -9.76828 1 4440 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 81.25 11.312422 39.60514 -8.776959 1 4441 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 80.86 10.530696 41.33838 -9.8541 1 4442 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 97.66 6.6243167 36.80452 -11.17043 1 4443 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 97.66 5.218654 36.459496 -11.024366 1 4444 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 98.05 4.9808626 35.445663 -9.928804 1 4445 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 97.66 5.656474 35.467384 -8.903093 1 4446 +ATOM N N . THR C0 3 148 . 148 THR C0 N 98.05 4.010198 34.58609 -10.163136 1 4447 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 98.05 3.631069 33.610973 -9.152712 1 4448 +ATOM C C . THR C0 3 148 . 148 THR C0 C 98.44 3.5005338 32.202232 -9.73047 1 4449 +ATOM O O . THR C0 3 148 . 148 THR C0 O 98.05 3.3093226 32.026016 -10.937016 1 4450 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 97.27 2.2898831 33.98192 -8.48591 1 4451 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 92.58 1.2762895 34.053688 -9.488985 1 4452 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 92.19 2.387075 35.33276 -7.7750626 1 4453 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 97.66 3.63274 31.243748 -8.840521 1 4454 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 97.66 3.4411414 29.836294 -9.173442 1 4455 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 97.66 2.1847692 29.357584 -8.459347 1 4456 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 97.27 1.9827869 29.665154 -7.280568 1 4457 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 97.27 4.644612 29.015278 -8.7089405 1 4458 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 96.09 4.513892 27.49319 -8.766987 1 4459 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 94.14 5.6526403 26.84295 -7.9929514 1 4460 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 94.14 4.488029 27.01812 -10.217344 1 4461 +ATOM N N . THR C0 3 150 . 150 THR C0 N 96.09 1.3223377 28.663355 -9.169042 1 4462 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 95.7 0.17739004 27.999458 -8.565314 1 4463 +ATOM C C . THR C0 3 150 . 150 THR C0 C 95.7 0.35283744 26.515915 -8.859116 1 4464 +ATOM O O . THR C0 3 150 . 150 THR C0 O 94.14 1.3015497 26.111181 -9.5374975 1 4465 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 94.92 -1.1713792 28.488297 -9.144627 1 4466 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 89.45 -1.2630534 28.107967 -10.508459 1 4467 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 88.67 -1.3034008 30.003796 -9.015299 1 4468 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 91.8 -0.5509621 25.696724 -8.340759 1 4469 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 90.62 -0.4522577 24.262644 -8.549737 1 4470 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 91.8 -0.5516274 23.88087 -10.02718 1 4471 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 89.45 -0.07195546 22.8182 -10.4212675 1 4472 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 88.28 -1.5346935 23.537117 -7.749585 1 4473 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 92.58 -1.1657804 24.76667 -10.833271 1 4474 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 92.58 -1.3745492 24.437197 -12.234636 1 4475 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 94.14 -0.5418359 25.218277 -13.240108 1 4476 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 92.58 -0.3735324 24.768833 -14.375267 1 4477 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 89.84 -2.8556046 24.580448 -12.596237 1 4478 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 79.3 -3.462833 25.931604 -12.273445 1 4479 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 74.61 -4.9621468 25.966526 -12.497431 1 4480 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 68.36 -5.7340536 25.934505 -11.518454 1 4481 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 66.8 -5.3682823 26.00924 -13.666477 1 4482 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 96.48 -0.018994395 26.379885 -12.848051 1 4483 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 96.88 0.76285 27.146044 -13.812693 1 4484 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 97.27 1.6305048 28.221336 -13.17658 1 4485 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 96.88 1.4376259 28.594955 -12.016633 1 4486 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 95.31 -0.16930948 27.814693 -14.834255 1 4487 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 92.19 -1.0650555 28.898716 -14.224226 1 4488 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 89.06 -1.943914 29.534233 -15.284588 1 4489 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 83.2 -2.8682036 30.560055 -14.649802 1 4490 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 76.17 -3.7578397 31.177286 -15.6411295 1 4491 +ATOM N N . THR C0 3 154 . 154 THR C0 N 97.66 2.5694332 28.68985 -13.986504 1 4492 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 98.05 3.4199843 29.812275 -13.613385 1 4493 +ATOM C C . THR C0 3 154 . 154 THR C0 C 97.66 2.8552957 31.015007 -14.360625 1 4494 +ATOM O O . THR C0 3 154 . 154 THR C0 O 97.66 2.5825424 30.929867 -15.559341 1 4495 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 97.66 4.8833885 29.586506 -14.052263 1 4496 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 96.09 5.4059925 28.440393 -13.387205 1 4497 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 96.48 5.7459183 30.80165 -13.749241 1 4498 +ATOM N N . THR C0 3 155 . 155 THR C0 N 98.05 2.6386247 32.12741 -13.661448 1 4499 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 98.44 2.1354988 33.338455 -14.293674 1 4500 +ATOM C C . THR C0 3 155 . 155 THR C0 C 98.05 3.1425595 34.46138 -14.060722 1 4501 +ATOM O O . THR C0 3 155 . 155 THR C0 O 98.05 3.4038813 34.83888 -12.919783 1 4502 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 97.66 0.75951725 33.742683 -13.7261715 1 4503 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 94.14 -0.17468214 32.6856 -13.969903 1 4504 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 93.75 0.25053805 35.016403 -14.408718 1 4505 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 98.44 3.7181811 34.96816 -15.157385 1 4506 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 98.05 4.714246 36.029175 -15.094669 1 4507 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 98.44 4.0566688 37.304413 -15.607709 1 4508 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 98.05 3.4906936 37.31881 -16.7037 1 4509 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 98.05 5.9350705 35.654663 -15.934904 1 4510 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 97.27 6.583082 34.3394 -15.492479 1 4511 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 95.7 7.390524 33.71401 -16.616955 1 4512 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 95.31 7.4291444 34.54964 -14.247154 1 4513 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 97.66 4.13352 38.368942 -14.81815 1 4514 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 98.05 3.3841558 39.58354 -15.106992 1 4515 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 97.66 4.269785 40.80801 -15.363829 1 4516 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 97.27 5.254436 41.025875 -14.662436 1 4517 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 97.27 2.3999848 39.891247 -13.950153 1 4518 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 93.36 1.6463273 41.19229 -14.198289 1 4519 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 93.75 1.4231398 38.742214 -13.766674 1 4520 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 97.66 3.8864546 41.591988 -16.369736 1 4521 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 97.66 4.5489607 42.8572 -16.6638 1 4522 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 98.05 3.447903 43.916138 -16.676353 1 4523 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 97.66 2.4527712 43.771072 -17.401226 1 4524 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 97.27 5.267912 42.84382 -18.027401 1 4525 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 94.14 5.921902 44.19539 -18.289028 1 4526 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 93.75 6.2957983 41.72511 -18.079163 1 4527 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 96.88 3.5996342 44.94809 -15.878617 1 4528 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 96.48 2.6001863 46.00396 -15.792088 1 4529 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 96.88 3.1483483 47.32282 -16.328915 1 4530 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 95.7 4.291432 47.691376 -16.042793 1 4531 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 95.7 2.1295485 46.20446 -14.342731 1 4532 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 87.5 1.4015739 45.01171 -13.767029 1 4533 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 83.2 0.94575113 45.282986 -12.336414 1 4534 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 74.61 0.22088793 44.081886 -11.762777 1 4535 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 66.02 -0.1997588 44.314133 -10.361765 1 4536 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 96.48 2.3235373 48.022797 -17.106358 1 4537 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 96.48 2.6785865 49.33484 -17.635277 1 4538 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 96.88 1.3867111 50.151215 -17.705742 1 4539 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 96.09 0.5415791 49.887325 -18.556656 1 4540 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 94.92 3.3220391 49.225792 -19.007221 1 4541 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 89.45 3.673902 50.570984 -19.633884 1 4542 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 87.89 4.6087055 51.425064 -18.800901 1 4543 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 82.42 5.49197 50.884506 -18.096024 1 4544 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 81.64 4.4592447 52.666412 -18.834728 1 4545 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 95.7 1.2680956 51.126728 -16.806728 1 4546 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 95.31 0.061473425 51.928772 -16.754108 1 4547 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 96.09 -1.1553495 51.076054 -16.438068 1 4548 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 94.53 -1.1691108 50.352562 -15.442127 1 4549 +ATOM N N . THR C0 3 162 . 162 THR C0 N 96.48 -2.1544995 51.12905 -17.31551 1 4550 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 96.48 -3.3698332 50.34869 -17.127384 1 4551 +ATOM C C . THR C0 3 162 . 162 THR C0 C 97.27 -3.280897 48.950195 -17.73766 1 4552 +ATOM O O . THR C0 3 162 . 162 THR C0 O 96.48 -4.22521 48.15748 -17.624197 1 4553 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 96.09 -4.5845156 51.070995 -17.760925 1 4554 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 92.58 -4.3341312 51.265625 -19.153566 1 4555 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 91.8 -4.830566 52.43298 -17.11024 1 4556 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 97.27 -2.1437652 48.67325 -18.37779 1 4557 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 97.27 -1.9673929 47.410374 -19.091171 1 4558 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 97.66 -1.2176919 46.36863 -18.255537 1 4559 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 97.27 -0.20160379 46.675922 -17.639626 1 4560 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 96.48 -1.2315714 47.627613 -20.429165 1 4561 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 94.14 -1.073093 46.31276 -21.181149 1 4562 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 93.75 -1.9642808 48.648457 -21.289694 1 4563 +ATOM N N . THR C0 3 164 . 164 THR C0 N 97.66 -1.7427788 45.14155 -18.257767 1 4564 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 97.27 -1.0904255 44.022224 -17.586618 1 4565 +ATOM C C . THR C0 3 164 . 164 THR C0 C 97.66 -0.9351925 42.892433 -18.593987 1 4566 +ATOM O O . THR C0 3 164 . 164 THR C0 O 96.88 -1.9259927 42.42774 -19.161636 1 4567 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 96.88 -1.9066095 43.534187 -16.37538 1 4568 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 90.23 -2.011055 44.58721 -15.413191 1 4569 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 90.23 -1.2400386 42.33268 -15.7235565 1 4570 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 98.05 0.31263274 42.481728 -18.827328 1 4571 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 98.05 0.5899606 41.345264 -19.695967 1 4572 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 98.05 0.92561615 40.163246 -18.806866 1 4573 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 97.66 1.7528903 40.281197 -17.899385 1 4574 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 97.27 1.756507 41.658165 -20.63779 1 4575 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 94.92 2.1583211 40.56779 -21.619768 1 4576 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 91.8 2.5331717 41.161304 -22.976994 1 4577 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 91.8 3.3065953 39.719883 -21.062529 1 4578 +ATOM N N . SER C0 3 166 . 166 SER C0 N 97.66 0.26933384 39.02951 -19.042732 1 4579 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 97.66 0.4988042 37.824306 -18.254284 1 4580 +ATOM C C . SER C0 3 166 . 166 SER C0 C 98.05 0.99757963 36.69889 -19.14931 1 4581 +ATOM O O . SER C0 3 166 . 166 SER C0 O 97.66 0.3021248 36.291702 -20.076876 1 4582 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 97.27 -0.7845893 37.397472 -17.541906 1 4583 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 86.72 -1.2266939 38.40502 -16.644966 1 4584 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 98.05 2.1934717 36.228336 -18.85749 1 4585 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 98.05 2.756915 35.095245 -19.58244 1 4586 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 97.66 2.5538378 33.861023 -18.71581 1 4587 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 97.66 3.0374663 33.807014 -17.57576 1 4588 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 97.66 4.2549877 35.306293 -19.853846 1 4589 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 96.48 4.925916 34.118774 -20.520407 1 4590 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 94.92 6.412259 34.37485 -20.71653 1 4591 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 92.97 7.0984077 33.15554 -21.313475 1 4592 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 90.23 8.5276 33.384773 -21.497364 1 4593 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 97.66 1.8205626 32.897545 -19.232227 1 4594 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 98.05 1.5204856 31.67637 -18.493397 1 4595 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 97.66 2.3238664 30.497189 -19.023605 1 4596 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 97.27 2.4115229 30.288464 -20.230902 1 4597 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 97.66 0.02732281 31.352915 -18.585491 1 4598 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 94.92 -0.83535886 32.459476 -18.024517 1 4599 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 89.06 -0.5939814 32.94133 -16.915178 1 4600 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 87.89 -1.8455763 32.879227 -18.766396 1 4601 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 97.27 2.9286582 29.751678 -18.107029 1 4602 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 96.88 3.6514254 28.534897 -18.45634 1 4603 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 97.27 2.9529607 27.40087 -17.718185 1 4604 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 96.88 3.011066 27.322548 -16.485432 1 4605 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 96.88 5.141242 28.609869 -18.046705 1 4606 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 95.31 5.802022 29.838428 -18.680939 1 4607 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 95.31 5.869195 27.334766 -18.481613 1 4608 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 92.19 7.2250214 30.090076 -18.21492 1 4609 +ATOM N N . SER C0 3 170 . 170 SER C0 N 96.09 2.2646852 26.54108 -18.454248 1 4610 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 95.7 1.5193619 25.44381 -17.85401 1 4611 +ATOM C C . SER C0 3 170 . 170 SER C0 C 95.7 2.4641051 24.35546 -17.344196 1 4612 +ATOM O O . SER C0 3 170 . 170 SER C0 O 94.92 3.6634045 24.387142 -17.606794 1 4613 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 94.53 0.54106635 24.849983 -18.870121 1 4614 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 87.89 1.2445577 24.147121 -19.878895 1 4615 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 92.58 1.9173329 23.386765 -16.609913 1 4616 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 91.41 2.7231574 22.282772 -16.105328 1 4617 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 92.19 3.3462925 21.486725 -17.247198 1 4618 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 90.23 4.4014287 20.880474 -17.080616 1 4619 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 89.84 1.8772376 21.362915 -15.217491 1 4620 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 81.25 1.6826744 21.888855 -13.805683 1 4621 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 76.95 1.1037607 20.805813 -12.899755 1 4622 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 68.75 1.0866575 21.251146 -11.445473 1 4623 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 60.16 0.632036 20.176035 -10.536418 1 4624 +ATOM N N . SER C0 3 172 . 172 SER C0 N 92.19 2.683088 21.497429 -18.407776 1 4625 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 91.02 3.1981802 20.787163 -19.572151 1 4626 +ATOM C C . SER C0 3 172 . 172 SER C0 C 91.41 4.2986937 21.576881 -20.275763 1 4627 +ATOM O O . SER C0 3 172 . 172 SER C0 O 89.45 4.938974 21.066566 -21.197817 1 4628 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 89.06 2.071579 20.487263 -20.564947 1 4629 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 83.98 1.5681777 21.678635 -21.130894 1 4630 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 91.41 4.509282 22.818247 -19.845812 1 4631 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 90.62 5.5153656 23.670128 -20.452711 1 4632 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 91.8 4.988476 24.552135 -21.56042 1 4633 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 89.84 5.7413926 25.33581 -22.144371 1 4634 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 95.31 3.69042 24.451069 -21.860386 1 4635 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 94.92 3.094546 25.24887 -22.92575 1 4636 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 96.09 2.9377394 26.696938 -22.472443 1 4637 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 95.31 2.462973 26.965862 -21.367386 1 4638 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 93.36 1.7372994 24.677097 -23.343174 1 4639 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 83.59 1.1310592 25.38659 -24.540327 1 4640 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 78.12 -0.15839508 24.75222 -25.017204 1 4641 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 71.88 -0.33786294 23.535042 -24.803661 1 4642 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 69.92 -0.991485 25.457794 -25.616377 1 4643 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 96.09 3.3279104 27.613459 -23.35696 1 4644 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 96.48 3.2683644 29.037905 -23.056458 1 4645 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 96.48 2.0376203 29.674522 -23.700096 1 4646 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 96.09 1.6853509 29.358944 -24.8402 1 4647 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 95.31 4.540826 29.767551 -23.543676 1 4648 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 91.8 4.4065995 31.27971 -23.366379 1 4649 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 91.41 5.7649765 29.249353 -22.80576 1 4650 +ATOM N N . SER C0 3 176 . 176 SER C0 N 97.66 1.3806844 30.552013 -22.968687 1 4651 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 97.27 0.2812042 31.34982 -23.498032 1 4652 +ATOM C C . SER C0 3 176 . 176 SER C0 C 97.27 0.41531646 32.73601 -22.88921 1 4653 +ATOM O O . SER C0 3 176 . 176 SER C0 O 97.27 0.94313836 32.89161 -21.782537 1 4654 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 96.09 -1.087904 30.743282 -23.162903 1 4655 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 86.33 -1.3309584 30.76427 -21.779705 1 4656 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 97.66 -0.006476923 33.73987 -23.631298 1 4657 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 98.05 0.11492009 35.10974 -23.148176 1 4658 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 97.66 -1.2231989 35.825363 -23.295097 1 4659 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 97.27 -1.9033666 35.686073 -24.3177 1 4660 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 97.27 1.2099128 35.89177 -23.909996 1 4661 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 94.92 1.4026213 37.282417 -23.31709 1 4662 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 94.53 2.5288801 35.124443 -23.887535 1 4663 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 97.66 -1.6044741 36.57296 -22.290668 1 4664 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 97.66 -2.8396297 37.337246 -22.325623 1 4665 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 97.66 -2.5558727 38.76218 -21.873926 1 4666 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 97.27 -1.5605761 39.02955 -21.19588 1 4667 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 96.48 -3.9318333 36.696 -21.456055 1 4668 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 84.38 -3.5513208 36.502724 -20.004425 1 4669 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 80.86 -4.5680046 35.675774 -19.243706 1 4670 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 76.17 -5.061495 34.67678 -19.799261 1 4671 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 75.39 -4.8644247 36.01306 -18.086132 1 4672 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 97.27 -3.4475052 39.667206 -22.278065 1 4673 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 97.27 -3.2861128 41.07413 -21.947222 1 4674 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 97.27 -4.6042347 41.64721 -21.439907 1 4675 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 96.09 -5.658627 41.36521 -22.0057 1 4676 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 96.09 -2.8104613 41.85434 -23.181765 1 4677 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 93.75 -2.4789495 43.34201 -23.019524 1 4678 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 90.62 -1.3218286 43.728302 -23.914043 1 4679 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 90.23 -3.6978996 44.223 -23.297508 1 4680 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 97.27 -4.528905 42.42787 -20.39096 1 4681 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 96.88 -5.692277 43.094555 -19.836311 1 4682 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 96.88 -5.3856115 44.58616 -19.694271 1 4683 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 96.09 -4.31022 44.955833 -19.237068 1 4684 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 95.31 -6.086835 42.50711 -18.48019 1 4685 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 86.33 -7.2267933 43.27108 -17.831099 1 4686 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 77.73 -7.003826 44.028034 -16.88205 1 4687 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 76.56 -8.429687 43.103638 -18.315304 1 4688 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 97.27 -6.3156886 45.410736 -20.137642 1 4689 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 97.27 -6.1552672 46.85632 -20.046768 1 4690 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 97.27 -7.408683 47.430378 -19.383041 1 4691 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 96.48 -8.514858 47.24421 -19.887283 1 4692 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 96.48 -5.9654694 47.46122 -21.447098 1 4693 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 96.48 -5.5627437 48.931114 -21.4194 1 4694 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 94.14 -5.53846 49.53752 -20.321896 1 4695 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 93.36 -5.2745104 49.49405 -22.496868 1 4696 +ATOM N N . THR C0 3 182 . 182 THR C0 N 96.88 -7.2294426 48.109154 -18.262321 1 4697 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 96.09 -8.357385 48.677845 -17.532192 1 4698 +ATOM C C . THR C0 3 182 . 182 THR C0 C 96.48 -8.80641 50.030148 -18.090408 1 4699 +ATOM O O . THR C0 3 182 . 182 THR C0 O 94.53 -9.7844715 50.614876 -17.60918 1 4700 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 95.7 -8.023749 48.836716 -16.031038 1 4701 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 92.58 -6.8521643 49.640656 -15.895187 1 4702 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 91.41 -7.783949 47.481136 -15.3909 1 4703 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 95.31 -8.086092 50.54635 -19.107986 1 4704 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 94.92 -8.452524 51.814034 -19.745098 1 4705 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 95.31 -9.849249 51.661392 -20.349438 1 4706 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 94.14 -10.092388 50.70751 -21.100761 1 4707 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 93.36 -7.434311 52.16644 -20.82923 1 4708 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 89.45 -7.546909 53.604424 -21.312977 1 4709 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 85.55 -8.674295 54.138123 -21.4001 1 4710 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 84.38 -6.4968157 54.208286 -21.627876 1 4711 +ATOM N N . SER C0 3 184 . 184 SER C0 N 92.58 -10.767138 52.586987 -20.021395 1 4712 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 91.8 -12.14286 52.479565 -20.501072 1 4713 +ATOM C C . SER C0 3 184 . 184 SER C0 C 92.58 -12.369101 53.16474 -21.848782 1 4714 +ATOM O O . SER C0 3 184 . 184 SER C0 O 89.06 -13.455193 53.053806 -22.42524 1 4715 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 89.45 -13.110729 53.068314 -19.462738 1 4716 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 80.86 -12.808456 54.430397 -19.212982 1 4717 +ATOM N N . SER C0 3 185 . 185 SER C0 N 92.97 -11.365715 53.879017 -22.373524 1 4718 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 92.97 -11.489185 54.57368 -23.648293 1 4719 +ATOM C C . SER C0 3 185 . 185 SER C0 C 93.75 -11.176558 53.643303 -24.815191 1 4720 +ATOM O O . SER C0 3 185 . 185 SER C0 O 91.8 -10.0974 53.048367 -24.863514 1 4721 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 91.41 -10.563311 55.787693 -23.68127 1 4722 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 84.77 -10.540016 56.378548 -24.975735 1 4723 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 91.02 -12.102751 53.549255 -25.772186 1 4724 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 90.62 -11.905935 52.688198 -26.933537 1 4725 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 91.8 -10.727655 53.15059 -27.785286 1 4726 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 89.45 -10.123706 52.348186 -28.502428 1 4727 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 88.28 -13.1837225 52.652893 -27.77769 1 4728 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 92.58 -10.410517 54.437626 -27.727665 1 4729 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 92.58 -9.329832 54.99169 -28.529884 1 4730 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 93.36 -7.9476376 54.6108 -28.006285 1 4731 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 91.02 -6.9806166 54.612144 -28.76703 1 4732 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 91.02 -9.462423 56.517433 -28.600292 1 4733 +ATOM N N . THR C0 3 188 . 188 THR C0 N 93.36 -7.8471003 54.26017 -26.731346 1 4734 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 93.75 -6.5568333 53.94777 -26.130163 1 4735 +ATOM C C . THR C0 3 188 . 188 THR C0 C 94.92 -6.471963 52.5598 -25.49856 1 4736 +ATOM O O . THR C0 3 188 . 188 THR C0 O 94.14 -5.3678675 52.080585 -25.215313 1 4737 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 91.8 -6.1914163 54.99489 -25.063038 1 4738 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 85.16 -7.223376 55.02883 -24.087326 1 4739 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 83.2 -6.032855 56.384266 -25.689869 1 4740 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 95.31 -7.610049 51.90911 -25.316772 1 4741 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 95.31 -7.6153865 50.596367 -24.664055 1 4742 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 96.09 -6.9561357 49.530647 -25.54366 1 4743 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 95.31 -7.3159323 49.364365 -26.718147 1 4744 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 94.92 -9.0536785 50.17417 -24.319656 1 4745 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 91.02 -9.129536 48.8506 -23.57426 1 4746 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 87.89 -10.5587435 48.56818 -23.126848 1 4747 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 82.81 -10.601524 47.295918 -22.293278 1 4748 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 75.78 -11.952469 47.05679 -21.752419 1 4749 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 96.48 -6.0006332 48.837303 -24.980732 1 4750 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 96.48 -5.2937336 47.75354 -25.685226 1 4751 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 96.48 -6.006885 46.43294 -25.496716 1 4752 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 96.09 -6.434208 46.110176 -24.388262 1 4753 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 95.7 -3.844623 47.621986 -25.200054 1 4754 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 92.97 -2.8965106 48.69992 -25.717358 1 4755 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 89.45 -3.0653763 50.002228 -24.950703 1 4756 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 85.55 -2.043466 51.031277 -25.426292 1 4757 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 80.08 -2.2440195 52.316692 -24.692738 1 4758 +ATOM N N . THR C0 3 191 . 191 THR C0 N 96.48 -6.142312 45.685696 -26.571346 1 4759 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 96.48 -6.6707945 44.32703 -26.52245 1 4760 +ATOM C C . THR C0 3 191 . 191 THR C0 C 96.88 -5.654685 43.44728 -27.23927 1 4761 +ATOM O O . THR C0 3 191 . 191 THR C0 O 96.88 -4.783101 43.948402 -27.956684 1 4762 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 95.31 -8.051983 44.205704 -27.211708 1 4763 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 87.5 -7.9332952 44.593327 -28.575567 1 4764 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 86.33 -9.085054 45.094784 -26.520828 1 4765 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 96.88 -5.7347527 42.149254 -27.024786 1 4766 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 96.88 -4.7595444 41.26475 -27.656332 1 4767 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 97.27 -5.336347 39.88486 -27.920694 1 4768 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 96.48 -6.244904 39.43575 -27.229431 1 4769 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 96.48 -3.5147069 41.148827 -26.789356 1 4770 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 97.27 -4.7959986 39.24193 -28.944881 1 4771 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 96.88 -5.1923475 37.89224 -29.318811 1 4772 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 97.27 -3.938232 37.02437 -29.351473 1 4773 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 97.27 -2.9217412 37.41426 -29.921335 1 4774 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 96.09 -5.8851113 37.88597 -30.679377 1 4775 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 97.27 -4.0409117 35.865303 -28.722336 1 4776 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 97.27 -2.9087055 34.946884 -28.661274 1 4777 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 97.27 -3.052902 33.83153 -29.679823 1 4778 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 96.88 -4.1333466 33.22039 -29.792734 1 4779 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 97.27 -2.7772453 34.344078 -27.258108 1 4780 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 97.27 -1.7513885 33.280197 -27.103546 1 4781 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 95.7 -1.9874119 31.94166 -26.901587 1 4782 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 96.88 -0.3276924 33.427418 -27.131926 1 4783 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 95.31 -0.7959315 31.272408 -26.778648 1 4784 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 96.09 0.23152786 32.14766 -26.929745 1 4785 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 95.7 0.5229853 34.532024 -27.319458 1 4786 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 95.7 1.6164628 31.94202 -26.895203 1 4787 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 94.92 1.8915308 34.326416 -27.282768 1 4788 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 94.92 2.4202042 33.04052 -27.08115 1 4789 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 97.27 -2.0127392 33.572502 -30.42075 1 4790 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 96.88 -1.9755096 32.48201 -31.393854 1 4791 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 96.88 -0.91843665 31.490662 -30.911812 1 4792 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 96.09 0.2786963 31.754055 -31.037075 1 4793 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 96.48 -1.6403773 33.01342 -32.79115 1 4794 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 93.36 -1.7216516 31.935688 -33.85382 1 4795 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 88.67 -1.3777361 30.77999 -33.61194 1 4796 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 87.11 -2.1683435 32.30433 -35.05555 1 4797 +ATOM N N . SER C0 3 196 . 196 SER C0 N 96.09 -1.3762221 30.384031 -30.342335 1 4798 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 95.31 -0.45388287 29.394444 -29.789215 1 4799 +ATOM C C . SER C0 3 196 . 196 SER C0 C 95.31 0.38888705 28.712389 -30.854921 1 4800 +ATOM O O . SER C0 3 196 . 196 SER C0 O 94.14 1.4943726 28.258022 -30.574738 1 4801 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 93.36 -1.2222619 28.350718 -28.979446 1 4802 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 85.16 -2.1441479 27.66003 -29.791786 1 4803 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 95.31 -0.13145769 28.63261 -32.082813 1 4804 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 94.92 0.60257894 27.993132 -33.156616 1 4805 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 95.31 1.8650792 28.738817 -33.543964 1 4806 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 94.14 2.8687427 28.127243 -33.909515 1 4807 +ATOM N N . THR C0 3 198 . 198 THR C0 N 96.09 1.8201323 30.075232 -33.46314 1 4808 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 95.7 2.9657192 30.901552 -33.805626 1 4809 +ATOM C C . THR C0 3 198 . 198 THR C0 C 96.09 3.5987604 31.567196 -32.582245 1 4810 +ATOM O O . THR C0 3 198 . 198 THR C0 O 95.31 4.5816026 32.301094 -32.715446 1 4811 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 95.31 2.5668921 31.995363 -34.816444 1 4812 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 90.62 1.523309 32.796337 -34.253166 1 4813 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 87.89 2.0749984 31.393322 -36.128693 1 4814 +ATOM N N . SER C0 3 199 . 199 SER C0 N 96.48 3.0386593 31.32186 -31.42217 1 4815 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 96.48 3.5078428 31.920418 -30.172777 1 4816 +ATOM C C . SER C0 3 199 . 199 SER C0 C 97.27 3.5381486 33.437984 -30.299458 1 4817 +ATOM O O . SER C0 3 199 . 199 SER C0 O 96.48 4.4965744 34.093407 -29.901033 1 4818 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 94.92 4.884558 31.388376 -29.79924 1 4819 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 87.89 4.849027 29.992514 -29.601093 1 4820 +ATOM N N . THR C0 3 200 . 200 THR C0 N 97.66 2.4638615 33.973816 -30.864979 1 4821 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 97.66 2.3906977 35.397797 -31.142313 1 4822 +ATOM C C . THR C0 3 200 . 200 THR C0 C 97.66 1.2140156 36.065437 -30.433947 1 4823 +ATOM O O . THR C0 3 200 . 200 THR C0 O 97.27 0.088211484 35.573315 -30.494122 1 4824 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 97.27 2.2630582 35.650787 -32.656647 1 4825 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 93.75 3.3818061 35.074455 -33.32251 1 4826 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 93.75 2.1909127 37.140358 -32.976677 1 4827 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 97.66 1.4994872 37.205917 -29.79774 1 4828 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 97.66 0.47134644 38.01932 -29.174942 1 4829 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 97.66 0.29438233 39.25048 -30.05509 1 4830 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 97.66 1.2350863 40.02776 -30.230064 1 4831 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 97.66 0.86333597 38.454227 -27.768654 1 4832 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 96.48 -0.23429336 39.196655 -26.981663 1 4833 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 93.36 0.35525787 40.019573 -25.853624 1 4834 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 92.97 -1.256057 38.20221 -26.45929 1 4835 +ATOM N N . THR C0 3 202 . 202 THR C0 N 97.27 -0.8892316 39.401085 -30.629097 1 4836 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 97.27 -1.1551151 40.537865 -31.494122 1 4837 +ATOM C C . THR C0 3 202 . 202 THR C0 C 97.27 -1.9412781 41.579765 -30.699398 1 4838 +ATOM O O . THR C0 3 202 . 202 THR C0 O 96.88 -3.059764 41.309742 -30.247517 1 4839 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 96.88 -1.950701 40.12211 -32.742596 1 4840 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 94.14 -1.1896474 39.15863 -33.46983 1 4841 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 94.14 -2.2412796 41.323463 -33.641705 1 4842 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 97.27 -1.3486779 42.75689 -30.539906 1 4843 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 97.66 -1.9690118 43.82155 -29.774231 1 4844 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 97.27 -2.7695594 44.728333 -30.706741 1 4845 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 96.48 -2.2760417 45.12268 -31.769772 1 4846 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 96.88 -0.92087865 44.645935 -28.995888 1 4847 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 95.7 -0.16620041 43.716915 -28.032047 1 4848 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 95.7 -1.5820765 45.801743 -28.231358 1 4849 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 92.97 0.97311 44.39513 -27.284975 1 4850 +ATOM N N . THR C0 3 204 . 204 THR C0 N 96.48 -3.9844499 45.071476 -30.29043 1 4851 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 96.48 -4.883605 45.893898 -31.084633 1 4852 +ATOM C C . THR C0 3 204 . 204 THR C0 C 96.88 -5.3550043 47.09985 -30.271248 1 4853 +ATOM O O . THR C0 3 204 . 204 THR C0 O 96.09 -5.6431327 46.96827 -29.078354 1 4854 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 95.7 -6.103185 45.080994 -31.542233 1 4855 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 89.84 -5.6580024 43.99788 -32.362015 1 4856 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 89.45 -7.084008 45.942364 -32.337692 1 4857 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 96.09 -5.4209824 48.261803 -30.928068 1 4858 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 95.31 -5.9236584 49.479813 -30.307507 1 4859 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 95.31 -6.884173 50.142967 -31.29314 1 4860 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 94.53 -6.5419483 50.350296 -32.457653 1 4861 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 94.92 -4.7931366 50.465446 -29.953564 1 4862 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 90.62 -5.3778043 51.73272 -29.325224 1 4863 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 90.62 -3.7911592 49.82361 -29.013746 1 4864 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 92.97 -8.073063 50.444214 -30.85362 1 4865 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 92.97 -9.090965 51.086212 -31.678234 1 4866 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 93.75 -9.286094 50.35367 -33.010025 1 4867 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 91.41 -9.27871 50.97245 -34.09084 1 4868 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 90.62 -8.722563 52.55671 -31.90867 1 4869 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 85.94 -9.901796 53.38495 -32.37683 1 4870 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 76.95 -11.053172 53.03029 -32.13337 1 4871 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 77.34 -9.630132 54.504177 -33.04883 1 4872 +ATOM N N . SER C0 3 207 . 207 SER C0 N 92.58 -9.427416 49.05067 -32.94307 1 4873 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 92.19 -9.666991 48.163963 -34.08441 1 4874 +ATOM C C . SER C0 3 207 . 207 SER C0 C 92.97 -8.498373 48.06224 -35.057587 1 4875 +ATOM O O . SER C0 3 207 . 207 SER C0 O 91.02 -8.663265 47.52852 -36.1595 1 4876 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 89.84 -10.9330435 48.58436 -34.84201 1 4877 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 81.25 -12.058804 48.551167 -33.98297 1 4878 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 95.31 -7.3413286 48.552284 -34.676247 1 4879 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 95.31 -6.1588855 48.4494 -35.522938 1 4880 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 96.09 -5.072893 47.65349 -34.81864 1 4881 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 95.31 -4.7706223 47.915108 -33.646675 1 4882 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 94.14 -5.6096478 49.842743 -35.866196 1 4883 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 85.94 -6.4921865 50.674084 -36.791153 1 4884 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 82.03 -5.795706 51.98422 -37.14563 1 4885 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 73.05 -6.6177287 52.80768 -38.127125 1 4886 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 65.62 -5.9178405 54.046814 -38.49239 1 4887 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 96.09 -4.509285 46.710953 -35.55671 1 4888 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 96.09 -3.3863993 45.951523 -35.00565 1 4889 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 96.09 -2.195561 46.903687 -34.90067 1 4890 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 95.31 -1.9311693 47.67513 -35.82988 1 4891 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 95.7 -3.0393763 44.768936 -35.907623 1 4892 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 93.75 -4.1285 43.7207 -35.98763 1 4893 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 91.41 -3.7276132 42.62322 -36.972343 1 4894 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 86.72 -4.8517118 41.611416 -37.124207 1 4895 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 81.25 -4.520098 40.57793 -38.133286 1 4896 +ATOM N N . THR C0 3 210 . 210 THR C0 N 96.09 -1.5032905 46.863476 -33.78086 1 4897 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 96.09 -0.36960784 47.75624 -33.587624 1 4898 +ATOM C C . THR C0 3 210 . 210 THR C0 C 96.48 0.9672888 47.03385 -33.495605 1 4899 +ATOM O O . THR C0 3 210 . 210 THR C0 O 95.31 1.9627838 47.526447 -34.02823 1 4900 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 94.92 -0.5411209 48.622543 -32.32508 1 4901 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 91.41 -0.65473247 47.77275 -31.18555 1 4902 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 89.84 -1.7823267 49.496883 -32.43148 1 4903 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 96.48 0.994966 45.902023 -32.83259 1 4904 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 96.48 2.2517185 45.167507 -32.645355 1 4905 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 96.88 2.03428 43.671707 -32.55767 1 4906 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 96.88 0.95712996 43.213356 -32.161507 1 4907 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 95.7 2.9650016 45.615276 -31.355423 1 4908 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 90.62 3.3317218 47.08425 -31.292896 1 4909 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 87.11 3.936485 47.4386 -29.945362 1 4910 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 81.64 4.233798 48.93063 -29.835976 1 4911 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 75.0 2.996211 49.702095 -29.71635 1 4912 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 97.27 3.062912 42.94831 -32.915676 1 4913 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 97.27 3.1173878 41.50456 -32.712543 1 4914 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 97.27 4.269288 41.240166 -31.757263 1 4915 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 96.88 5.400464 41.65995 -32.01196 1 4916 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 97.27 3.3757474 40.771324 -34.03235 1 4917 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 96.09 2.1135817 40.356873 -34.753212 1 4918 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 92.19 1.0099385 40.71881 -34.298813 1 4919 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 91.8 2.2339716 39.664986 -35.790382 1 4920 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 97.66 3.9784565 40.5567 -30.66708 1 4921 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 97.27 5.019462 40.123924 -29.743927 1 4922 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 97.66 5.1484823 38.620186 -29.931984 1 4923 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 96.88 4.16494 37.885593 -29.77169 1 4924 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 96.88 4.6533775 40.42903 -28.28865 1 4925 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 95.7 4.6582565 41.898933 -27.85739 1 4926 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 92.97 4.1044445 42.01142 -26.438429 1 4927 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 92.58 6.0565467 42.476616 -27.918613 1 4928 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 97.27 6.3226485 38.163845 -30.312725 1 4929 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 97.27 6.5393667 36.7363 -30.545088 1 4930 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 97.27 7.4109244 36.181046 -29.418125 1 4931 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 96.88 8.512356 36.67997 -29.175938 1 4932 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 96.88 7.1969357 36.469547 -31.912226 1 4933 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 93.36 7.396928 34.972397 -32.118813 1 4934 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 93.36 6.3456407 37.058193 -33.03778 1 4935 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 96.48 6.896817 35.16394 -28.747322 1 4936 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 96.48 7.6169686 34.510754 -27.650665 1 4937 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 95.31 8.249837 33.25511 -28.240444 1 4938 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 93.36 7.5900164 32.220947 -28.37932 1 4939 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 96.09 6.6546407 34.201775 -26.498722 1 4940 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 96.48 6.106594 35.44497 -25.839909 1 4941 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 94.92 5.155871 36.222816 -26.475357 1 4942 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 94.53 6.5689864 35.85125 -24.601007 1 4943 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 94.14 4.67303 37.38256 -25.886604 1 4944 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 94.53 6.0870333 37.0041 -24.00513 1 4945 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 95.7 5.137674 37.776535 -24.651077 1 4946 +ATOM N N . THR C0 3 216 . 216 THR C0 N 93.75 9.507615 33.355923 -28.59494 1 4947 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 92.97 10.194477 32.314705 -29.362993 1 4948 +ATOM C C . THR C0 3 216 . 216 THR C0 C 93.36 10.561266 31.063795 -28.548166 1 4949 +ATOM O O . THR C0 3 216 . 216 THR C0 O 91.8 10.572996 31.08323 -27.320173 1 4950 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 91.41 11.470355 32.87023 -30.018505 1 4951 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 86.33 12.470761 33.044624 -29.009615 1 4952 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 85.16 11.202195 34.204094 -30.710459 1 4953 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 91.02 10.879785 30.011017 -29.297144 1 4954 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 89.45 11.302008 28.760117 -28.68098 1 4955 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 90.62 12.685682 28.891949 -28.040442 1 4956 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 87.89 13.069456 28.060059 -27.224823 1 4957 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 86.72 11.315915 27.637491 -29.722336 1 4958 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 76.56 9.930616 27.292328 -30.250309 1 4959 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 68.75 10.004061 26.164337 -31.286522 1 4960 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 60.94 8.615034 25.815002 -31.806023 1 4961 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 53.12 8.665726 24.727556 -32.80462 1 4962 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 92.58 13.422416 29.927666 -28.398232 1 4963 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 91.8 14.73428 30.195469 -27.829533 1 4964 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 92.58 14.622399 31.03706 -26.56015 1 4965 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 90.23 15.621742 31.50864 -26.039656 1 4966 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 89.45 15.631804 30.920387 -28.836735 1 4967 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 80.86 15.966682 30.094563 -30.0786 1 4968 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 74.61 14.831057 30.015587 -31.083042 1 4969 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 68.36 14.758578 29.017586 -31.813885 1 4970 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 66.41 13.992027 30.954807 -31.132748 1 4971 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 93.36 13.401564 31.22704 -26.10114 1 4972 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 93.75 13.098844 32.004753 -24.899763 1 4973 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 94.14 13.515093 33.465202 -25.027433 1 4974 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 92.97 14.075357 34.061134 -24.117428 1 4975 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 92.97 13.722002 31.357698 -23.657438 1 4976 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 91.41 13.120537 30.008358 -23.376266 1 4977 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 83.98 11.899149 29.877062 -23.273119 1 4978 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 83.2 13.957656 28.989779 -23.261301 1 4979 +ATOM N N . THR C0 3 220 . 220 THR C0 N 94.92 13.248119 34.010956 -26.219086 1 4980 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 95.31 13.451498 35.43023 -26.468414 1 4981 +ATOM C C . THR C0 3 220 . 220 THR C0 C 96.09 12.102623 36.00083 -26.87333 1 4982 +ATOM O O . THR C0 3 220 . 220 THR C0 O 95.7 11.188492 35.260708 -27.259598 1 4983 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 93.36 14.47629 35.692524 -27.596176 1 4984 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 86.72 14.014224 35.091866 -28.806705 1 4985 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 85.55 15.848818 35.147346 -27.234985 1 4986 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 96.48 11.97212 37.322464 -26.772284 1 4987 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 96.88 10.74927 37.98719 -27.18188 1 4988 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 96.88 11.114525 38.99585 -28.265902 1 4989 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 96.09 12.071049 39.757286 -28.104992 1 4990 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 96.09 10.071814 38.72828 -26.004732 1 4991 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 94.53 9.842134 37.770966 -24.838055 1 4992 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 94.53 8.743792 39.354855 -26.456459 1 4993 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 91.02 9.388025 38.465023 -23.557598 1 4994 +ATOM N N . THR C0 3 222 . 222 THR C0 N 96.88 10.365725 38.97323 -29.363487 1 4995 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 97.27 10.601301 39.94302 -30.426361 1 4996 +ATOM C C . THR C0 3 222 . 222 THR C0 C 97.27 9.341272 40.774887 -30.619154 1 4997 +ATOM O O . THR C0 3 222 . 222 THR C0 O 96.88 8.229486 40.323288 -30.316347 1 4998 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 96.09 10.975617 39.271988 -31.76009 1 4999 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 91.02 9.876007 38.490395 -32.22407 1 5000 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 90.62 12.200987 38.396328 -31.611696 1 5001 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 97.27 9.5268 41.989452 -31.106716 1 5002 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 97.27 8.39613 42.874527 -31.357475 1 5003 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 97.27 8.49991 43.404026 -32.788002 1 5004 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 96.48 9.593846 43.68988 -33.280228 1 5005 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 96.48 8.343231 44.04883 -30.343348 1 5006 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 91.8 7.091673 44.90985 -30.595188 1 5007 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 91.41 9.592772 44.903965 -30.418217 1 5008 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 96.48 7.3590355 43.487633 -33.46028 1 5009 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 96.48 7.3005753 44.029167 -34.814774 1 5010 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 96.48 6.056175 44.896484 -34.93207 1 5011 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 96.09 4.98938 44.51912 -34.431168 1 5012 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 95.7 7.2821836 42.906662 -35.85077 1 5013 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 92.19 7.4450836 43.41291 -37.2787 1 5014 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 91.02 7.674697 42.308826 -38.285465 1 5015 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 83.59 7.4705563 41.136715 -37.998756 1 5016 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 81.25 8.114841 42.680527 -39.49257 1 5017 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 96.09 6.2045984 46.053215 -35.60537 1 5018 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 95.7 5.1175733 47.016335 -35.73796 1 5019 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 96.09 4.2679987 46.76549 -36.973656 1 5020 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 95.31 4.767009 46.26619 -37.985413 1 5021 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 94.14 5.6718416 48.442253 -35.821728 1 5022 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 85.55 6.535429 48.855034 -34.652184 1 5023 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 81.25 5.7429705 49.389305 -33.486675 1 5024 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 72.27 5.884367 48.915756 -32.37567 1 5025 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 68.75 4.884696 50.366673 -33.731712 1 5026 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 96.09 2.988875 47.129723 -36.863495 1 5027 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 96.09 2.0888 47.107147 -38.00966 1 5028 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 95.7 2.063933 48.50492 -38.62039 1 5029 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 94.53 2.4700432 49.49032 -37.988754 1 5030 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 96.09 0.6562166 46.73352 -37.595524 1 5031 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 96.48 0.43441772 45.246723 -37.444397 1 5032 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 94.14 0.76538295 44.601868 -36.26829 1 5033 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 94.14 -0.12169378 44.503284 -38.471333 1 5034 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 93.36 0.5540129 43.243774 -36.115585 1 5035 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 93.75 -0.33850127 43.15033 -38.32742 1 5036 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 95.31 0.0036629469 42.520847 -37.153618 1 5037 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 94.14 -0.21015054 41.189884 -37.01351 1 5038 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 95.7 1.5756085 48.60272 -39.876892 1 5039 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 95.31 1.4647073 49.91461 -40.510925 1 5040 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 95.31 0.3334983 50.690704 -39.84382 1 5041 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 94.14 -0.37390038 50.15486 -38.97896 1 5042 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 94.14 1.2271992 49.782852 -42.027714 1 5043 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 90.62 -0.05175244 49.054825 -42.407997 1 5044 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 85.94 -0.89557326 48.77126 -41.53225 1 5045 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 84.38 -0.22448835 48.76497 -43.61654 1 5046 +ATOM N N . SER C0 3 228 . 228 SER C0 N 93.75 0.15785924 51.961025 -40.21515 1 5047 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 92.58 -0.8298032 52.827293 -39.580677 1 5048 +ATOM C C . SER C0 3 228 . 228 SER C0 C 93.36 -2.2556574 52.32312 -39.739437 1 5049 +ATOM O O . SER C0 3 228 . 228 SER C0 O 91.41 -3.1169577 52.656197 -38.92375 1 5050 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 91.02 -0.7138691 54.253227 -40.149525 1 5051 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 80.86 -0.9431585 54.27639 -41.547165 1 5052 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 93.75 -2.4984145 51.51857 -40.775303 1 5053 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 93.36 -3.8250926 50.948624 -40.98506 1 5054 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 94.14 -4.024744 49.66045 -40.194576 1 5055 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 91.8 -5.1325397 49.135773 -40.13199 1 5056 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 92.19 -4.0612755 50.68071 -42.475494 1 5057 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 86.72 -4.126328 51.95552 -43.29688 1 5058 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 78.52 -4.6249657 52.97694 -42.836254 1 5059 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 76.95 -3.623584 51.91445 -44.524384 1 5060 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 93.75 -2.953006 49.136845 -39.618538 1 5061 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 94.14 -3.0074506 47.90896 -38.846123 1 5062 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 94.53 -3.243447 46.666557 -39.67164 1 5063 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 93.36 -3.7776117 45.679993 -39.16148 1 5064 +ATOM N N . THR C0 3 231 . 231 THR C0 N 94.14 -2.8377542 46.68013 -40.933544 1 5065 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 93.36 -3.0798903 45.547718 -41.82271 1 5066 +ATOM C C . THR C0 3 231 . 231 THR C0 C 94.53 -1.8096473 44.859528 -42.31196 1 5067 +ATOM O O . THR C0 3 231 . 231 THR C0 O 92.97 -1.8859527 43.7491 -42.840034 1 5068 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 92.19 -3.9034688 45.993687 -43.05243 1 5069 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 85.94 -3.2032375 47.02443 -43.745293 1 5070 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 83.98 -5.2759366 46.519085 -42.639664 1 5071 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 94.14 -0.6673898 45.48816 -42.152287 1 5072 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 94.14 0.58390117 44.9207 -42.659164 1 5073 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 95.31 1.7381766 45.138237 -41.682014 1 5074 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 94.14 1.9151605 46.248573 -41.1718 1 5075 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 92.97 0.9267906 45.56018 -44.019005 1 5076 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 83.2 2.2166271 45.05851 -44.65077 1 5077 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 79.69 2.4971266 45.802174 -45.957397 1 5078 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 70.7 3.8202493 45.34906 -46.566204 1 5079 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 63.67 4.1234207 46.09871 -47.796463 1 5080 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 94.92 2.4718597 44.081062 -41.446785 1 5081 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 95.31 3.6457334 44.19114 -40.585007 1 5082 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 95.31 4.7360363 44.93534 -41.347355 1 5083 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 93.75 4.9509273 44.67411 -42.5393 1 5084 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 94.53 4.164449 42.811806 -40.17901 1 5085 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 92.58 3.3320034 42.092274 -39.11982 1 5086 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 89.06 3.699265 40.61945 -39.09514 1 5087 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 88.28 3.5655239 42.723106 -37.751408 1 5088 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 94.14 5.391514 45.86566 -40.690025 1 5089 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 93.36 6.4458666 46.63786 -41.322647 1 5090 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 93.75 7.773948 46.46982 -40.601406 1 5091 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 90.62 7.815729 46.21647 -39.400913 1 5092 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 91.41 6.071719 48.12831 -41.354687 1 5093 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 82.42 4.8765416 48.41793 -42.244003 1 5094 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 77.73 4.697652 49.88671 -42.53752 1 5095 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 71.88 4.11033 50.23372 -43.58255 1 5096 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 69.92 5.159898 50.718502 -41.720375 1 5097 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 92.58 8.810476 46.60627 -41.388535 1 5098 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 92.19 10.145485 46.488514 -40.82116 1 5099 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 93.36 10.486133 45.070282 -40.43932 1 5100 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 91.02 9.86689 44.113457 -40.90137 1 5101 +ATOM N N . SER C0 3 236 . 236 SER C0 N 92.58 11.492786 44.956867 -39.592384 1 5102 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 92.97 11.944204 43.65145 -39.12312 1 5103 +ATOM C C . SER C0 3 236 . 236 SER C0 C 94.14 11.608789 43.463264 -37.655563 1 5104 +ATOM O O . SER C0 3 236 . 236 SER C0 O 92.58 11.463785 44.434746 -36.910553 1 5105 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 90.62 13.456434 43.519707 -39.32633 1 5106 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 80.08 13.82259 43.67887 -40.679173 1 5107 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 95.31 11.46267 42.218426 -37.272026 1 5108 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 95.7 11.217735 41.905437 -35.869507 1 5109 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 96.09 12.475012 42.27219 -35.083733 1 5110 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 95.31 13.58493 41.9573 -35.510155 1 5111 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 94.53 10.888098 40.435104 -35.709206 1 5112 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 95.7 12.28769 42.93406 -33.94709 1 5113 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 96.09 13.406536 43.35878 -33.115517 1 5114 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 96.48 13.360733 42.60856 -31.782001 1 5115 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 95.7 12.310275 42.549133 -31.133863 1 5116 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 94.53 13.365894 44.884315 -32.86423 1 5117 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 87.89 14.49512 45.312195 -31.948252 1 5118 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 87.11 13.423831 45.645443 -34.19126 1 5119 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 96.09 14.4777565 42.03775 -31.406094 1 5120 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 96.09 14.543165 41.290936 -30.157164 1 5121 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 96.48 14.522793 42.23748 -28.959764 1 5122 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 95.7 15.25525 43.229225 -28.926058 1 5123 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 94.92 15.806342 40.424774 -30.115126 1 5124 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 87.11 15.894064 39.592003 -28.843266 1 5125 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 85.55 17.123144 38.706577 -28.781124 1 5126 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 79.3 17.676388 38.377262 -29.854034 1 5127 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 78.52 17.543312 38.32317 -27.67192 1 5128 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 96.09 13.689112 41.92159 -28.006369 1 5129 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 96.09 13.607343 42.693085 -26.771809 1 5130 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 96.09 14.718197 42.207573 -25.84267 1 5131 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 95.31 14.838739 41.01071 -25.58522 1 5132 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 95.7 12.217248 42.538963 -26.116451 1 5133 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 92.97 11.1836 43.312256 -26.951118 1 5134 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 92.58 12.230014 43.021107 -24.664646 1 5135 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 89.84 9.746597 43.12773 -26.499626 1 5136 +ATOM N N . THR C0 3 241 . 241 THR C0 N 96.48 15.533154 43.122753 -25.36116 1 5137 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 95.7 16.658821 42.765167 -24.51601 1 5138 +ATOM C C . THR C0 3 241 . 241 THR C0 C 96.09 16.5847 43.383713 -23.119173 1 5139 +ATOM O O . THR C0 3 241 . 241 THR C0 O 94.92 17.451473 43.12162 -22.285866 1 5140 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 94.14 17.994106 43.17451 -25.16657 1 5141 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 88.28 17.9946 44.582214 -25.386627 1 5142 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 86.72 18.188457 42.461346 -26.499084 1 5143 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 95.7 15.582276 44.224342 -22.8797 1 5144 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 95.7 15.395472 44.86151 -21.58599 1 5145 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 96.09 13.923285 44.846638 -21.211882 1 5146 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 95.7 13.052069 44.90971 -22.086792 1 5147 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 94.53 15.891901 46.323185 -21.60682 1 5148 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 88.28 17.364044 46.493973 -21.932766 1 5149 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 83.59 17.726799 47.97681 -21.996271 1 5150 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 75.39 19.184841 48.163948 -22.384193 1 5151 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 67.58 19.522366 49.592182 -22.492308 1 5152 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 96.09 13.65349 44.80889 -19.913456 1 5153 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 96.09 12.269182 44.820564 -19.439983 1 5154 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 96.48 11.563673 46.102768 -19.876423 1 5155 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 96.09 10.378679 46.083607 -20.204733 1 5156 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 95.31 12.227631 44.701454 -17.911385 1 5157 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 92.58 10.834575 44.62949 -17.271587 1 5158 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 88.67 10.9652815 44.57501 -15.752716 1 5159 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 88.28 10.067923 43.43726 -17.798286 1 5160 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 96.48 12.295349 47.22348 -19.888676 1 5161 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 96.48 11.730728 48.4992 -20.310743 1 5162 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 96.48 11.189568 48.439335 -21.735561 1 5163 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 96.09 10.225817 49.129936 -22.06482 1 5164 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 95.31 12.779215 49.617477 -20.217205 1 5165 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 87.5 13.042376 50.072968 -18.795912 1 5166 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 81.64 12.226244 49.77458 -17.902725 1 5167 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 80.08 14.074477 50.735672 -18.578419 1 5168 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 96.48 11.812922 47.62094 -22.576952 1 5169 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 96.48 11.367208 47.48561 -23.963238 1 5170 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 96.48 10.033131 46.751545 -24.052893 1 5171 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 96.09 9.237522 47.016235 -24.959026 1 5172 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 95.7 12.445798 46.782898 -24.797176 1 5173 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 91.02 13.718275 47.613796 -24.90791 1 5174 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 90.23 14.865873 46.882782 -25.565697 1 5175 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 85.16 15.948605 47.482178 -25.724894 1 5176 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 84.77 14.708073 45.6925 -25.92028 1 5177 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 96.09 9.787182 45.814564 -23.13195 1 5178 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 96.48 8.488745 45.14725 -23.103046 1 5179 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 96.48 7.4405355 46.170227 -22.668558 1 5180 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 96.09 6.361641 46.255104 -23.256851 1 5181 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 95.31 8.475487 43.94644 -22.13556 1 5182 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 92.58 9.540058 42.92622 -22.540459 1 5183 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 92.19 7.084239 43.29606 -22.121387 1 5184 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 87.11 9.612121 41.722473 -21.601738 1 5185 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 96.88 7.780183 46.952465 -21.640942 1 5186 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 96.48 6.860893 47.97743 -21.148485 1 5187 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 96.48 6.5518074 48.994137 -22.245789 1 5188 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 95.7 5.398369 49.42009 -22.398338 1 5189 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 96.48 7.4438124 48.676643 -19.912968 1 5190 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 92.97 7.518726 47.7818 -18.690964 1 5191 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 91.41 8.04941 48.54917 -17.485867 1 5192 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 85.55 8.068431 47.659077 -16.25407 1 5193 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 78.91 8.584232 48.36852 -15.06028 1 5194 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 96.09 7.57017 49.371574 -23.02256 1 5195 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 95.31 7.366905 50.30757 -24.131844 1 5196 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 95.7 6.4236984 49.722313 -25.173185 1 5197 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 94.53 5.614704 50.4395 -25.75903 1 5198 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 94.53 8.7056465 50.65896 -24.78267 1 5199 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 89.06 9.536321 51.59706 -23.922365 1 5200 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 81.64 9.021416 52.255207 -23.031681 1 5201 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 80.08 10.837471 51.65869 -24.198895 1 5202 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 95.7 6.514737 48.42463 -25.410421 1 5203 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 95.31 5.6547785 47.76053 -26.3877 1 5204 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 95.31 4.2083006 47.725487 -25.917118 1 5205 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 93.75 3.298278 47.57579 -26.733398 1 5206 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 94.14 6.158815 46.35135 -26.649021 1 5207 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 95.7 3.9910436 47.853134 -24.61676 1 5208 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 95.31 2.6484342 47.80902 -24.050045 1 5209 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 94.53 1.9961233 49.188847 -23.987036 1 5210 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 92.19 0.7936151 49.29237 -23.753939 1 5211 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 95.31 2.6840482 47.202816 -22.642742 1 5212 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 94.53 3.1922762 45.771137 -22.551615 1 5213 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 91.8 3.2318854 45.340424 -21.094471 1 5214 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 91.02 2.336358 44.83093 -23.37418 1 5215 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 92.19 2.7604973 50.25461 -24.198704 1 5216 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 89.84 2.236538 51.618164 -24.14281 1 5217 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 87.11 1.3250031 51.920486 -25.319191 1 5218 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 81.25 1.5078456 51.35967 -26.410881 1 5219 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 85.16 3.369471 52.654366 -24.115353 1 5220 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 80.86 4.141051 52.651627 -22.815592 1 5221 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 77.34 5.2368593 53.723022 -22.852293 1 5222 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 72.27 6.0012197 53.723 -21.536634 1 5223 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 68.36 7.0756483 54.70341 -21.551533 1 5224 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 69.53 0.34937307 52.621513 -25.167553 1 5225 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 71.88 -9.117916 4.4018793 0.8344737 1 5226 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 68.75 -10.288771 4.127436 1.4273336 1 5227 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 74.61 -8.59136 5.7309933 1.2139523 1 5228 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 70.7 -7.3917584 5.9781446 0.6487738 1 5229 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 57.81 -5.617818 -10.316449 0.3995301 1 5230 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 53.52 -5.8087683 -8.994906 0.60844815 1 5231 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 60.16 -6.0014763 -10.741343 -0.9710867 1 5232 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 55.47 -6.090453 -12.097151 -1.0413598 1 5233 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 48.44 -6.788002 18.187332 1.8295046 1 5234 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 48.24 -5.7380657 18.48825 2.6161127 1 5235 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 53.52 -7.178239 16.758911 1.9586163 1 5236 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 49.8 -8.263271 16.483074 1.1709118 1 5237 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 34.96 -4.4236097 -10.138361 8.737124 1 5238 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 32.62 -3.9615777 -10.832043 7.669 1 5239 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 38.09 -3.3075883 -9.529388 9.510767 1 5240 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 33.79 -3.7671142 -8.938127 10.635693 1 5241 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 32.03 -4.426998 -23.68581 -6.878886 1 5242 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 28.71 -4.8471723 -24.370892 -7.945566 1 5243 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 35.16 -5.526919 -23.402737 -5.924972 1 5244 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 28.52 -5.0566196 -22.914095 -4.742225 1 5245 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 33.59 -23.477497 -31.980251 18.354277 1 5246 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 30.47 -23.812056 -30.663298 18.374968 1 5247 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 36.13 -23.974693 -32.706924 19.535484 1 5248 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 31.45 -23.911158 -34.042763 19.30576 1 5249 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 70.31 -5.794028 3.0276906 0.89197475 1 5250 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 51.56 -3.3954706 18.448174 16.82661 1 5251 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 39.65 -8.416241 -6.7685137 11.3140335 1 5252 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 36.91 -6.46731 -24.565868 13.878075 1 5253 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 30.86 17.761976 -14.130588 0.17910671 1 5254 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 34.38 -1.6791744 -34.814053 21.073956 1 5255 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 28.32 15.023329 -13.117922 -14.496411 1 5256 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_0_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_0_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..c4e8a136593f094550aa62283f828c08b473085d --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_0_postprocessed.cif @@ -0,0 +1,6691 @@ +data_8tuz-assembly1_seed_42_sample_0_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 0 16.37644 2.651912 18.8708 1 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 0 15.646362 2.140686 17.723902 1 2 1 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 0 14.263976 2.7659655 17.648079 1 3 1 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 0 13.627416 3.0116744 18.682278 1 4 1 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 0 15.532489 0.61885405 17.816216 1 5 1 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 0 14.9127865 -0.021518154 16.585186 1 6 1 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 0 14.802638 -1.5249708 16.717306 1 7 1 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 0 14.207388 -1.9846954 17.707493 1 8 1 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 0 15.320407 -2.246002 15.8372 1 9 1 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 0 13.805416 3.0221384 16.44851 1 10 1 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 0 12.49277 3.620966 16.241512 1 11 1 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 0 11.401512 2.6708226 16.72377 1 12 1 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 0 11.418684 1.4808035 16.406498 1 13 1 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 0 12.266857 3.9640677 14.753952 1 14 1 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 0 10.839329 4.456068 14.528234 1 15 1 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 0 13.274825 4.997036 14.284857 1 16 1 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 0 10.46089 3.1904864 17.498219 1 17 1 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 0 9.337045 2.4032066 17.99973 1 18 1 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 0 8.0522175 3.223928 17.958866 1 19 1 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 0 8.070829 4.4374537 18.215328 1 20 1 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 0 9.578476 1.9498489 19.443552 1 21 1 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 0 10.65147 0.9092759 19.621025 1 22 1 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 0 10.747368 0.45190567 21.06554 1 23 1 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 0 11.342649 1.1250744 21.899662 1 24 1 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 0 10.125883 -0.6675742 21.37811 1 25 1 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 0 6.973057 2.5521102 17.639145 1 26 1 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 0 5.6402683 3.1443977 17.692013 1 27 1 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 0 4.792161 2.1837573 18.51828 1 28 1 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 0 4.5634127 1.0413513 18.107357 1 29 1 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 0 5.0456123 3.3165355 16.289719 1 30 1 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 0 5.7094126 4.376712 15.403782 1 31 1 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 0 5.1930795 4.263978 13.972806 1 32 1 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 0 5.458745 5.7717094 15.951847 1 33 1 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 0 4.368006 2.6316984 19.70163 1 34 1 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 0 3.6042614 1.7844174 20.614788 1 35 1 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 0 2.1773458 2.319499 20.731457 1 36 1 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 0 1.968633 3.468008 21.132982 1 37 1 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 0 4.2636967 1.7236276 22.012001 1 38 1 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 0 3.4431915 0.8520904 22.947163 1 39 1 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 0 5.694227 1.1908338 21.891075 1 40 1 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 0 1.2195574 1.4791039 20.379196 1 41 1 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 0 -0.1850909 1.8841512 20.38995 1 42 1 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 0 -0.8971157 1.482192 21.6775 1 43 1 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 0 -0.42324752 0.61881065 22.422237 1 44 1 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 0 -0.9127177 1.2880025 19.18289 1 45 1 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 0 -0.35964072 1.7798389 17.857616 1 46 1 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 0 -1.0832886 1.2405014 16.647484 1 47 1 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 0 -0.4623704 0.7350177 15.711695 1 48 1 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 0 -2.4064147 1.3356159 16.6484 1 49 1 +ATOM N N . SER A0 1 7 . 7 SER A0 N 0 -2.0275457 2.1306093 21.922955 1 50 1 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 0 -2.837244 1.840055 23.101158 1 51 1 +ATOM C C . SER A0 1 7 . 7 SER A0 C 0 -3.5099425 0.47542396 22.953518 1 52 1 +ATOM O O . SER A0 1 7 . 7 SER A0 O 0 -3.5138903 -0.122864336 21.874165 1 53 1 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 0 -3.8883 2.935335 23.310791 1 54 1 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 0 -4.6337585 3.1613739 22.133589 1 55 1 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 0 -4.0824933 -0.013023993 24.048239 1 56 1 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 0 -4.6692867 -1.3391993 24.074451 1 57 1 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 0 -6.0138407 -1.46315 23.384087 1 58 1 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 0 -6.601089 -0.4775777 22.923761 1 59 1 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 0 -6.4869547 -2.7013075 23.333693 1 60 1 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 0 -7.7642097 -3.0336115 22.71183 1 61 1 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 0 -8.908922 -2.2432919 23.330881 1 62 1 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 0 -8.947525 -2.027852 24.546375 1 63 1 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 0 -8.021032 -4.5395527 22.852203 1 64 1 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 0 -9.299869 -5.0178475 22.18898 1 65 1 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 0 -9.508808 -6.5248346 22.34288 1 66 1 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 0 -10.278624 -7.1041183 21.549828 1 67 1 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 0 -8.894424 -7.1193933 23.258682 1 68 1 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 0 -9.85531 -1.8084109 22.474693 1 69 1 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 0 -10.994196 -1.0203658 22.931828 1 70 1 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 0 -12.293771 -1.7048476 22.545546 1 71 1 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 0 -12.437629 -2.1788533 21.414886 1 72 1 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 0 -10.967026 0.38833606 22.31728 1 73 1 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 0 -9.735788 1.2161167 22.680649 1 74 1 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 0 -9.801899 1.852756 24.047733 1 75 1 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 0 -8.799561 2.4696069 24.458296 1 76 1 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 0 -10.850922 1.7436695 24.723717 1 77 1 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 0 -13.236119 -1.760788 23.47699 1 78 1 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 0 -14.568286 -2.3020597 23.236507 1 79 1 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 0 -15.559584 -1.2071823 23.61113 1 80 1 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 0 -15.658035 -0.82306015 24.779568 1 81 1 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 0 -14.832537 -3.5768256 24.063248 1 82 1 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 0 -16.224321 -4.1232634 23.757421 1 83 1 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 0 -13.765533 -4.632468 23.761768 1 84 1 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 0 -16.270992 -0.6996481 22.61248 1 85 1 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 0 -17.183922 0.43017215 22.819572 1 86 1 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 0 -18.554607 0.16365933 22.219128 1 87 1 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 0 -18.735865 -0.743272 21.387386 1 88 1 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 0 -16.608673 1.706027 22.191933 1 89 1 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 0 -15.317846 2.1920338 22.830904 1 90 1 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 0 -15.607817 2.8450117 24.174206 1 91 1 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 0 -14.333996 3.4337492 24.779894 1 92 1 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 0 -14.624362 4.134799 26.030453 1 93 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 -19.538345 0.97050893 22.626541 1 94 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 -20.887836 0.8867691 22.098263 1 95 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 -21.074919 1.9545839 21.028223 1 96 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 -20.403206 2.9983764 21.05815 1 97 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 -21.924385 1.0920777 23.209597 1 98 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 -21.972134 -0.033093046 24.221016 1 99 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 -23.035755 0.22623165 25.26987 1 100 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 -23.139488 -0.92592365 26.257425 1 101 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 -23.69093 -2.1441007 25.625341 1 102 1 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 0 -21.988499 1.7287589 20.061085 1 103 1 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 0 -22.238514 2.7481022 19.04522 1 104 1 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 0 -22.676893 4.059042 19.698765 1 105 1 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 0 -23.396585 4.051466 20.70139 1 106 1 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 0 -23.368834 2.1458845 18.205853 1 107 1 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 0 -23.22016 0.6665687 18.38459 1 108 1 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 0 -22.784098 0.5152001 19.81926 1 109 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -22.2099 5.1684237 19.137426 1 110 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -22.543642 6.476589 19.676992 1 111 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -21.55574 7.0105314 20.685282 1 112 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -21.568935 8.203159 20.989536 1 113 1 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 0 -20.693485 6.130439 21.206747 1 114 1 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 0 -19.693386 6.5624933 22.171188 1 115 1 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 0 -18.492603 7.1719685 21.457 1 116 1 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 0 -18.266994 6.923931 20.265942 1 117 1 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 0 -19.23376 5.3905253 23.04326 1 118 1 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 0 -20.329893 4.8560424 23.94996 1 119 1 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 0 -19.830013 3.7882495 24.90261 1 120 1 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 0 -20.469048 3.5848794 25.949183 1 121 1 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 0 -18.79435 3.1553059 24.612755 1 122 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 -17.748856 7.9668527 22.175545 1 123 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 -16.537838 8.559299 21.631002 1 124 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 -15.33976 7.6972423 22.00951 1 125 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 -15.39051 6.924221 22.965813 1 126 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 -16.344284 9.983493 22.15839 1 127 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 -16.124601 9.981859 23.557552 1 128 1 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 0 -14.282715 7.8138895 21.215519 1 129 1 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 0 -13.079386 7.0313673 21.475632 1 130 1 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 0 -11.86133 7.7521834 20.916515 1 131 1 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 0 -11.936581 8.35717 19.840485 1 132 1 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 0 -13.191414 5.636861 20.83937 1 133 1 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 0 -11.940638 4.7547846 20.908348 1 134 1 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 0 -12.110747 3.4969158 20.073467 1 135 1 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 0 -11.605281 4.407112 22.3561 1 136 1 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 0 -10.768557 7.691373 21.645115 1 137 1 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 0 -9.500684 8.231433 21.182684 1 138 1 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 0 -8.416599 7.2050385 21.484669 1 139 1 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 0 -8.185109 6.8667536 22.651663 1 140 1 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 0 -9.179679 9.567165 21.865208 1 141 1 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 0 -7.9044743 10.230112 21.336485 1 142 1 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 0 -7.815059 11.693338 21.731762 1 143 1 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 0 -7.5533257 11.896919 23.20656 1 144 1 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 0 -7.401304 13.339439 23.523045 1 145 1 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 0 -7.77863 6.6964808 20.432766 1 146 1 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 0 -6.6999254 5.7383604 20.612123 1 147 1 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 0 -5.3855953 6.4530134 20.329597 1 148 1 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 0 -5.3513308 7.4762216 19.637348 1 149 1 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 0 -6.8650274 4.493687 19.70399 1 150 1 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 0 -6.8750663 4.8726163 18.231396 1 151 1 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 0 -8.166126 3.7580976 20.071 1 152 1 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 0 -6.925205 3.6798224 17.28051 1 153 1 +ATOM N N . SER A0 1 21 . 21 SER A0 N 0 -4.2958755 5.9267564 20.902346 1 154 1 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 0 -3.0148616 6.616845 20.840511 1 155 1 +ATOM C C . SER A0 1 21 . 21 SER A0 C 0 -1.883337 5.807157 20.223347 1 156 1 +ATOM O O . SER A0 1 21 . 21 SER A0 O 0 -1.9647368 4.586831 20.10501 1 157 1 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 0 -2.6016467 7.0772643 22.242798 1 158 1 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 0 -2.3389168 5.9654665 23.082512 1 159 1 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 0 -0.8516356 6.524234 19.840675 1 160 1 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 0 0.35443145 5.955019 19.246231 1 161 1 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 0 1.5288353 6.805537 19.719488 1 162 1 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 0 1.6119899 7.9925995 19.388565 1 163 1 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 0 0.25220925 5.9782677 17.722649 1 164 1 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 0 1.7477369 5.5380936 16.840256 1 165 1 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 0 2.4110727 6.2238364 20.52361 1 166 1 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 0 3.5599632 6.9458113 21.063412 1 167 1 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 0 4.8324404 6.5590725 20.308498 1 168 1 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 0 5.145411 5.375186 20.186214 1 169 1 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 0 3.7326486 6.663682 22.558205 1 170 1 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 0 4.8852334 7.4473 23.17383 1 171 1 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 0 4.976075 7.2180367 24.678257 1 172 1 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 0 6.1220202 8.028324 25.276745 1 173 1 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 0 6.210449 7.8396664 26.734535 1 174 1 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 0 5.5430384 7.568111 19.821606 1 175 1 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 0 6.7799473 7.331086 19.093128 1 176 1 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 0 8.00031 7.5564737 19.959393 1 177 1 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 0 7.9918594 8.391172 20.860945 1 178 1 +ATOM N N . SER A0 1 25 . 25 SER A0 N 0 9.058675 6.807756 19.69107 1 179 1 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 0 10.312395 6.9633074 20.410168 1 180 1 +ATOM C C . SER A0 1 25 . 25 SER A0 C 0 11.466623 6.501977 19.520779 1 181 1 +ATOM O O . SER A0 1 25 . 25 SER A0 O 0 11.253212 5.7969923 18.531178 1 182 1 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 0 10.3041315 6.1662207 21.723274 1 183 1 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 0 10.168402 4.7808895 21.482693 1 184 1 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 0 12.695841 6.923934 19.865206 1 185 1 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 0 13.86971 6.498802 19.134888 1 186 1 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 0 14.211381 7.355441 17.921547 1 187 1 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 0 15.114784 7.00601 17.16183 1 188 1 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 0 13.507461 8.482454 17.736187 1 189 1 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 0 13.770455 9.404852 16.634651 1 190 1 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 0 13.162605 10.751886 16.985523 1 191 1 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 0 12.429911 10.871103 17.97463 1 192 1 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 0 13.1788025 8.862136 15.3210945 1 193 1 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 0 11.67189 8.876707 15.264938 1 194 1 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 0 10.9252205 7.895355 15.911155 1 195 1 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 0 11.000532 9.87734 14.583303 1 196 1 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 0 9.536791 7.9109693 15.877077 1 197 1 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 0 9.612518 9.9035 14.539047 1 198 1 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 0 8.888553 8.918802 15.191477 1 199 1 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 0 7.5182505 8.940949 15.150461 1 200 1 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 0 13.460268 11.790245 16.197657 1 201 1 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 0 12.904164 13.11117 16.442827 1 202 1 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 0 11.440531 13.118242 15.987793 1 203 1 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 0 11.135122 13.319609 14.811689 1 204 1 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 0 13.710821 14.185556 15.715041 1 205 1 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 0 13.320269 15.596567 16.117516 1 206 1 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 0 14.233405 16.632723 15.473181 1 207 1 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 0 13.840727 18.042576 15.894192 1 208 1 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 0 14.714927 19.045197 15.287956 1 209 1 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 0 10.541323 12.887018 16.941547 1 210 1 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 0 9.11344 12.719896 16.706417 1 211 1 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 0 8.473661 13.825405 15.861549 1 212 1 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 0 7.6429706 13.548109 14.98905 1 213 1 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 0 8.396448 12.603527 18.05657 1 214 1 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 0 6.9109483 12.387906 17.960949 1 215 1 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 0 6.0317497 13.428247 18.219679 1 216 1 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 0 6.3933516 11.146829 17.640358 1 217 1 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 0 4.664511 13.236227 18.151321 1 218 1 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 0 5.0264177 10.9493685 17.570736 1 219 1 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 0 4.162343 11.991245 17.82841 1 220 1 +ATOM N N . SER A0 1 30 . 30 SER A0 N 0 8.858343 15.086031 16.113039 1 221 1 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 0 8.257893 16.221817 15.432576 1 222 1 +ATOM C C . SER A0 1 30 . 30 SER A0 C 0 8.727584 16.41448 13.988119 1 223 1 +ATOM O O . SER A0 1 30 . 30 SER A0 O 0 8.211333 17.295506 13.290932 1 224 1 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 0 8.509979 17.513496 16.224525 1 225 1 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 0 9.892012 17.78323 16.319977 1 226 1 +ATOM N N . SER A0 1 31 . 31 SER A0 N 0 9.671671 15.595153 13.532621 1 227 1 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 0 10.252504 15.758173 12.199766 1 228 1 +ATOM C C . SER A0 1 31 . 31 SER A0 C 0 9.728603 14.776413 11.153576 1 229 1 +ATOM O O . SER A0 1 31 . 31 SER A0 O 0 10.212931 14.773165 10.020067 1 230 1 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 0 11.773981 15.636431 12.282557 1 231 1 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 0 12.318786 16.666935 13.089749 1 232 1 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 0 8.757632 13.945512 11.52022 1 233 1 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 0 8.205904 12.9683895 10.585932 1 234 1 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 0 6.685881 12.928593 10.667532 1 235 1 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 0 6.1139617 13.094635 11.745483 1 236 1 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 0 8.748915 11.562627 10.876783 1 237 1 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 0 10.235502 11.415451 10.640522 1 238 1 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 0 11.144979 11.682567 11.662088 1 239 1 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 0 10.729121 11.029535 9.403434 1 240 1 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 0 12.510048 11.571832 11.447786 1 241 1 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 0 12.088086 10.915872 9.180511 1 242 1 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 0 12.973755 11.18194 10.208346 1 243 1 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 0 14.317728 11.068499 9.994825 1 244 1 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 0 6.059796 12.666037 9.53528 1 245 1 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 0 4.617433 12.460725 9.504086 1 246 1 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 0 4.294681 11.1297245 10.180025 1 247 1 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 0 5.0978208 10.187508 10.146597 1 248 1 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 0 4.1185913 12.372194 8.058155 1 249 1 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 0 4.2449474 13.607854 7.2270737 1 250 1 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 0 5.300214 13.958361 6.4445477 1 251 1 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 0 3.2552547 14.627835 7.0598783 1 252 1 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 0 5.0316725 15.137692 5.797436 1 253 1 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 0 3.7866735 15.574104 6.16648 1 254 1 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 0 1.97491 14.834487 7.598831 1 255 1 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 0 3.0693774 16.706257 5.7701097 1 256 1 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 0 1.2624528 15.967043 7.209717 1 257 1 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 0 1.8258646 16.885256 6.3114996 1 258 1 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 0 3.1083841 11.045381 10.79899 1 259 1 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 0 2.6065288 9.78694 11.348698 1 260 1 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 0 1.2314155 9.568212 10.715384 1 261 1 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 0 0.38832146 10.465006 10.729619 1 262 1 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 0 2.4612436 9.827904 12.885185 1 263 1 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 0 3.8257456 10.058521 13.5452795 1 264 1 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 0 1.8297362 8.514698 13.379484 1 265 1 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 0 4.826796 8.923275 13.375337 1 266 1 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 0 1.0456132 8.385254 10.138767 1 267 1 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 0 -0.21982214 8.079584 9.490041 1 268 1 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 0 -0.9935656 7.0059853 10.222971 1 269 1 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 0 -0.44866484 6.281354 11.059448 1 270 1 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 0 -2.2894785 6.930923 9.902817 1 271 1 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 0 -3.1691465 5.9116154 10.452536 1 272 1 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 0 -3.7341604 5.0906534 9.307852 1 273 1 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 0 -4.1360707 5.6332417 8.26621 1 274 1 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 0 -4.324149 6.5404596 11.252861 1 275 1 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 0 -3.9036868 7.0920725 12.581725 1 276 1 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 0 -3.5881262 8.38505 12.873843 1 277 1 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 0 -3.7602477 6.3624697 13.8024435 1 278 1 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 0 -3.2551656 8.508869 14.199707 1 279 1 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 0 -3.3538804 7.289997 14.791594 1 280 1 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 0 -3.9396834 5.027133 14.157528 1 281 1 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 0 -3.1194344 6.9067287 16.1185 1 282 1 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 0 -3.705061 4.645209 15.47184 1 283 1 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 0 -3.303228 5.5875025 16.4347 1 284 1 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 0 -3.7572818 3.7866464 9.527676 1 285 1 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 0 -4.2435637 2.8473692 8.523714 1 286 1 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 0 -5.2809796 1.931904 9.166002 1 287 1 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 0 -5.034529 1.3791356 10.2491665 1 288 1 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 0 -3.0844562 2.0061166 7.9426527 1 289 1 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 0 -3.6145372 0.94231164 6.990069 1 290 1 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 0 -2.0739384 2.9085503 7.2403007 1 291 1 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 0 -6.432184 1.7652358 8.515296 1 292 1 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 0 -7.47515 0.879418 9.007015 1 293 1 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 0 -7.4237967 -0.4461094 8.258779 1 294 1 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 0 -7.1826906 -0.47954357 7.0539694 1 295 1 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 0 -8.869406 1.514144 8.813462 1 296 1 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 0 -10.012929 0.6184582 9.302877 1 297 1 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 0 -11.361481 1.2887015 9.114668 1 298 1 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 0 -11.813339 1.2170117 7.7155876 1 299 1 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 0 -12.998431 1.6814444 7.3047104 1 300 1 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 0 -13.84869 2.2363753 8.177975 1 301 1 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 0 -13.324551 1.5820336 6.0198464 1 302 1 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 0 -7.667912 -1.5247734 8.986169 1 303 1 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 0 -7.7854905 -2.8448958 8.373861 1 304 1 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 0 -8.998068 -3.541044 8.9764595 1 305 1 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 0 -8.956559 -4.0108166 10.109442 1 306 1 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 0 -6.519393 -3.683082 8.5825405 1 307 1 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 0 -6.574354 -5.0054617 7.8193903 1 308 1 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 0 -5.251832 -5.730319 7.806648 1 309 1 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 0 -4.559888 -5.8172827 8.8124895 1 310 1 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 0 -4.8799634 -6.250986 6.630279 1 311 1 +ATOM N N . MET A0 1 40 . 40 MET A0 N 0 -10.070278 -3.5843835 8.195673 1 312 1 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 0 -11.290022 -4.233748 8.663326 1 313 1 +ATOM C C . MET A0 1 40 . 40 MET A0 C 0 -11.090181 -5.7412024 8.640363 1 314 1 +ATOM O O . MET A0 1 40 . 40 MET A0 O 0 -10.236003 -6.251273 7.912571 1 315 1 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 0 -12.473072 -3.8236542 7.7843347 1 316 1 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 0 -12.759546 -2.3259652 7.867823 1 317 1 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 0 -14.123081 -1.7879131 6.803607 1 318 1 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 0 -15.52944 -2.3983822 7.7494707 1 319 1 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 0 -11.853185 -6.474142 9.462268 1 320 1 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 0 -11.64714 -7.9270115 9.559914 1 321 1 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 0 -11.662737 -8.625822 8.2043915 1 322 1 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 0 -12.618898 -8.505247 7.4376497 1 323 1 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 0 -12.811075 -8.389497 10.442503 1 324 1 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 0 -13.099745 -7.2052774 11.316722 1 325 1 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 0 -12.912487 -6.0058317 10.398791 1 326 1 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 0 -10.568802 -9.34072 7.911066 1 327 1 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 0 -10.4472065 -10.085255 6.670919 1 328 1 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 0 -10.2334 -9.250381 5.425135 1 329 1 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 0 -10.2997875 -9.775561 4.3131423 1 330 1 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 0 -9.988971 -7.948532 5.6060524 1 331 1 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 0 -9.822703 -7.048852 4.4635115 1 332 1 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 0 -8.401808 -6.5069113 4.3626337 1 333 1 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 0 -7.5460925 -6.7820044 5.2122746 1 334 1 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 0 -10.819054 -5.886886 4.563163 1 335 1 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 0 -12.272661 -6.3089023 4.710348 1 336 1 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 0 -12.766676 -7.067877 3.470372 1 337 1 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 0 -14.238279 -7.445696 3.6083646 1 338 1 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 0 -14.726774 -8.184485 2.4391189 1 339 1 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 0 -8.160964 -5.7196712 3.3229196 1 340 1 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 0 -6.848955 -5.1180916 3.1136928 1 341 1 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 0 -6.666773 -3.8176823 3.8652084 1 342 1 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 0 -7.4395385 -3.4878473 4.775279 1 343 1 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 0 -5.6362295 -3.0770411 3.4843612 1 344 1 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 0 -5.269845 -1.8478872 4.1682677 1 345 1 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 0 -5.9401817 -0.62739754 3.5545516 1 346 1 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 0 -6.023975 -0.5015699 2.3311493 1 347 1 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 0 -3.7441378 -1.6671824 4.131538 1 348 1 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 0 -2.9244318 -2.8343582 4.6945076 1 349 1 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 0 -1.4495047 -2.636036 4.350356 1 350 1 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 0 -3.1228876 -2.9485035 6.2002077 1 351 1 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 0 -6.401332 0.28974274 4.4151244 1 352 1 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 0 -7.0299826 1.529257 3.9803722 1 353 1 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 0 -6.3581295 2.685497 4.7121105 1 354 1 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 0 -6.3989525 2.7550755 5.9420347 1 355 1 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 0 -8.525215 1.5383487 4.3207574 1 356 1 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 0 -9.343479 0.42057353 3.709615 1 357 1 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 0 -10.772522 0.4535985 4.213031 1 358 1 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 0 -11.089558 -0.25285327 5.1956835 1 359 1 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 0 -11.579451 1.215942 3.6285014 1 360 1 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 0 -5.7669687 3.5830133 3.9478002 1 361 1 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 0 -5.134514 4.758769 4.540149 1 362 1 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 0 -6.220793 5.726542 5.000661 1 363 1 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 0 -7.1465282 6.038806 4.2604938 1 364 1 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 0 -4.220787 5.437233 3.5092685 1 365 1 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 0 -3.6169617 6.7043004 4.010824 1 366 1 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 0 -2.6128402 6.8172283 4.928826 1 367 1 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 0 -3.9560807 8.032087 3.6387143 1 368 1 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 0 -2.320858 8.134251 5.1310716 1 369 1 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 0 -3.1392112 8.909401 4.3532 1 370 1 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 0 -4.895052 8.5735855 2.7472005 1 371 1 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 0 -3.2158422 10.293339 4.211765 1 372 1 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 0 -4.976512 9.94935 2.614327 1 373 1 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 0 -4.1366663 10.786081 3.3410454 1 374 1 +ATOM N N . MET A0 1 48 . 48 MET A0 N 0 -6.1059523 6.176652 6.240098 1 375 1 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 0 -7.1065235 7.068306 6.8310704 1 376 1 +ATOM C C . MET A0 1 48 . 48 MET A0 C 0 -6.682003 8.526808 6.7961206 1 377 1 +ATOM O O . MET A0 1 48 . 48 MET A0 O 0 -7.4620256 9.396112 6.398425 1 378 1 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 0 -7.4016623 6.6606956 8.281002 1 379 1 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 0 -7.9018307 5.2396994 8.430198 1 380 1 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 0 -8.185974 4.8145723 10.164125 1 381 1 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 0 -9.666235 5.784566 10.483845 1 382 1 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 0 -5.5029163 8.797876 7.22507 1 383 1 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 0 -5.011264 10.161397 7.281022 1 384 1 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 0 -3.6063545 10.214617 7.829096 1 385 1 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 0 -3.002829 9.18253 8.147163 1 386 1 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 0 -3.1014864 11.420176 7.933338 1 387 1 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 0 -1.7142609 11.610693 8.335142 1 388 1 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 0 -1.5637324 12.95162 9.048655 1 389 1 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 0 -2.3450105 13.885694 8.812993 1 390 1 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 0 -0.79860747 11.527433 7.0839777 1 391 1 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 0 0.6527752 11.25951 7.4574637 1 392 1 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 0 -0.9589909 12.770299 6.210127 1 393 1 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 0 1.4936798 10.815939 6.2554073 1 394 1 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 0 -0.6017308 13.045446 9.958422 1 395 1 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 0 -0.35376608 14.2919855 10.6810255 1 396 1 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 0 1.1469469 14.532776 10.782658 1 397 1 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 0 1.9335864 13.593056 10.898078 1 398 1 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 0 -0.99246764 14.264666 12.099774 1 399 1 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 0 -0.88620377 15.64169 12.7690735 1 400 1 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 0 -0.3334573 13.191388 12.983961 1 401 1 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 0 -1.6986248 15.787128 14.052286 1 402 1 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 0 1.5399399 15.815852 10.701067 1 403 1 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 0 2.931194 16.195393 10.9263 1 404 1 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 0 2.9903708 16.781967 12.336342 1 405 1 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 0 2.498095 17.897705 12.561171 1 406 1 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 0 3.3948264 17.227303 9.896961 1 407 1 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 0 4.8904123 17.43747 9.906515 1 408 1 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 0 5.4388533 18.558361 10.502409 1 409 1 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 0 5.734375 16.508698 9.335225 1 410 1 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 0 6.813921 18.745262 10.524537 1 411 1 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 0 7.1079273 16.687168 9.35354 1 412 1 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 0 7.6446123 17.807503 9.950056 1 413 1 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 0 3.5370402 16.039795 13.31544 1 414 1 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 0 3.486383 16.49289 14.710111 1 415 1 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 0 4.116399 17.851704 14.978834 1 416 1 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 0 3.707713 18.539772 15.918782 1 417 1 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 0 4.2298074 15.372072 15.462716 1 418 1 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 0 4.0626388 14.172161 14.597633 1 419 1 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 0 4.155613 14.718584 13.192002 1 420 1 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 0 5.1021576 18.264254 14.181221 1 421 1 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 0 5.781004 19.529985 14.392863 1 422 1 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 0 4.865749 20.742298 14.419548 1 423 1 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 0 5.0439014 21.637661 15.248976 1 424 1 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 0 3.8706179 20.790773 13.521299 1 425 1 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 0 2.9276395 21.89917 13.479208 1 426 1 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 0 1.4731472 21.456924 13.370373 1 427 1 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 0 0.5968214 22.278257 13.121588 1 428 1 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 0 3.2780914 22.865644 12.330735 1 429 1 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 0 3.166028 22.218655 10.955296 1 430 1 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 0 2.7813773 21.029232 10.868755 1 431 1 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 0 3.4612842 22.906109 9.953953 1 432 1 +ATOM N N . SER A0 1 56 . 56 SER A0 N 0 1.2280006 20.178753 13.576263 1 433 1 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 0 -0.11402262 19.598835 13.562326 1 434 1 +ATOM C C . SER A0 1 56 . 56 SER A0 C 0 -0.83456236 19.715633 12.219463 1 435 1 +ATOM O O . SER A0 1 56 . 56 SER A0 O 0 -2.06566 19.697868 12.160645 1 436 1 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 0 -0.98206365 20.189102 14.67798 1 437 1 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 0 -0.4567166 19.855915 15.9481945 1 438 1 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 0 -0.07505893 19.805084 11.136902 1 439 1 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 0 -0.6476307 19.7953 9.792179 1 440 1 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 0 -1.2580706 18.407246 9.581139 1 441 1 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 0 -0.6263472 17.389324 9.887744 1 442 1 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 0 0.46560788 20.047256 8.759563 1 443 1 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 0 -0.047425255 20.25364 7.3478804 1 444 1 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 0 -1.2809768 20.221355 7.12665 1 445 1 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 0 0.7890023 20.454884 6.443884 1 446 1 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 0 -2.5045385 18.367996 9.082732 1 447 1 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 0 -3.221191 17.09993 8.90151 1 448 1 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 0 -3.7447257 16.949348 7.4851837 1 449 1 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 0 -4.1109457 17.92528 6.837759 1 450 1 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 0 -4.4193873 17.011227 9.8585415 1 451 1 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 0 -4.131945 17.293247 11.314928 1 452 1 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 0 -5.441923 17.304306 12.105021 1 453 1 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 0 -5.256544 17.805119 13.519174 1 454 1 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 0 -4.969011 19.253738 13.564614 1 455 1 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 0 -3.811708 15.724234 7.045227 1 456 1 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 0 -4.4114447 15.404534 5.756693 1 457 1 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 0 -5.221065 14.116922 5.919883 1 458 1 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 0 -4.7727857 13.181948 6.5896993 1 459 1 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 0 -3.3436549 15.189636 4.6725636 1 460 1 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 0 -2.2552018 16.25744 4.607071 1 461 1 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 0 -2.7574139 17.583462 4.127721 1 462 1 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 0 -1.917122 18.692463 4.538664 1 463 1 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 0 -0.72058725 18.99358 4.0415564 1 464 1 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 0 -0.057006028 20.011353 4.5149536 1 465 1 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 0 -0.21156894 18.263983 3.0660095 1 466 1 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 0 -6.407612 14.076124 5.3299217 1 467 1 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 0 -7.2718096 12.907341 5.4433403 1 468 1 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 0 -7.602409 12.329937 4.073211 1 469 1 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 0 -7.7010727 13.064035 3.0866609 1 470 1 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 0 -8.597597 13.279896 6.1259394 1 471 1 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 0 -8.476044 13.764627 7.5492344 1 472 1 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 0 -8.389996 15.128408 7.83117 1 473 1 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 0 -8.483646 12.872652 8.610882 1 474 1 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 0 -8.289642 15.587712 9.134682 1 475 1 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 0 -8.383696 13.319747 9.920072 1 476 1 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 0 -8.288509 14.675577 10.168005 1 477 1 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 0 -8.192554 15.129101 11.465164 1 478 1 +ATOM N N . SER A0 1 61 . 61 SER A0 N 0 -7.7968044 11.033151 4.064226 1 479 1 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 0 -8.338193 10.382599 2.8802943 1 480 1 +ATOM C C . SER A0 1 61 . 61 SER A0 C 0 -9.755748 10.911299 2.6853123 1 481 1 +ATOM O O . SER A0 1 61 . 61 SER A0 O 0 -10.473173 11.109055 3.6697197 1 482 1 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 0 -8.373096 8.868779 3.0812004 1 483 1 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 0 -9.284072 8.254032 2.178306 1 484 1 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 0 -10.193198 11.153875 1.4399124 1 485 1 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 0 -11.568006 11.613281 1.228425 1 486 1 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 0 -12.590433 10.66304 1.8402607 1 487 1 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 0 -13.656526 11.101712 2.286748 1 488 1 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 0 -11.682777 11.653245 -0.3047831 1 489 1 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 0 -10.288029 11.90093 -0.76710445 1 490 1 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 0 -9.424324 11.114613 0.18220426 1 491 1 +ATOM N N . SER A0 1 63 . 63 SER A0 N 0 -12.276175 9.371298 1.8885617 1 492 1 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 0 -13.178762 8.372636 2.453915 1 493 1 +ATOM C C . SER A0 1 63 . 63 SER A0 C 0 -13.324537 8.492715 3.9677355 1 494 1 +ATOM O O . SER A0 1 63 . 63 SER A0 O 0 -14.285072 7.9755726 4.5388694 1 495 1 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 0 -12.701094 6.965536 2.1001859 1 496 1 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 0 -12.675842 6.769431 0.6996236 1 497 1 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 0 -12.372024 9.152418 4.6184053 1 498 1 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 0 -12.398975 9.2893505 6.072398 1 499 1 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 0 -12.551268 10.730225 6.5398912 1 500 1 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 0 -12.702644 10.961033 7.737096 1 501 1 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 0 -11.138786 8.66494 6.69048 1 502 1 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 0 -11.100534 7.16324 6.559896 1 503 1 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 0 -10.477217 6.550529 5.4781566 1 504 1 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 0 -11.704617 6.3555894 7.5147686 1 505 1 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 0 -10.46195 5.1665115 5.341036 1 506 1 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 0 -11.686237 4.9730606 7.3886366 1 507 1 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 0 -11.063164 4.3777037 6.3017793 1 508 1 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 0 -12.543133 11.686625 5.611375 1 509 1 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 0 -12.691792 13.098194 5.947059 1 510 1 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 0 -14.013128 13.310133 6.689334 1 511 1 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 0 -15.072353 12.915577 6.202006 1 512 1 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 0 -12.665261 13.951473 4.6810474 1 513 1 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 0 -12.80624 15.446526 4.928971 1 514 1 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 0 -11.56139 16.067493 5.5489244 1 515 1 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 0 -10.456966 15.872927 5.050989 1 516 1 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 0 -11.752197 16.80066 6.6363907 1 517 1 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 0 -13.931124 13.92618 7.8544044 1 518 1 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 0 -15.112516 14.175119 8.647539 1 519 1 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 0 -15.5849285 13.005886 9.485328 1 520 1 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 0 -16.533928 13.1505165 10.263447 1 521 1 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 0 -14.950033 11.849986 9.318478 1 522 1 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 0 -15.350893 10.651558 10.054075 1 523 1 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 0 -14.507267 10.434608 11.298353 1 524 1 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 0 -14.980549 9.855276 12.273369 1 525 1 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 0 -15.258804 9.412094 9.155305 1 526 1 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 0 -16.02857 9.543482 7.8467073 1 527 1 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 0 -17.49556 9.854387 8.07329 1 528 1 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 0 -18.17324 9.184179 8.848938 1 529 1 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 0 -18.000221 10.902016 7.3940306 1 530 1 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 0 -13.260643 10.877588 11.25706 1 531 1 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 0 -12.337008 10.768292 12.376875 1 532 1 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 0 -11.531916 12.057153 12.471665 1 533 1 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 0 -11.511337 12.863272 11.542209 1 534 1 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 0 -11.363028 9.576027 12.216257 1 535 1 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 0 -12.106634 8.242559 12.305942 1 536 1 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 0 -10.589684 9.689871 10.908329 1 537 1 +ATOM N N . THR A0 1 69 . 69 THR A0 N 0 -10.86635 12.248985 13.609207 1 538 1 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 0 -10.008337 13.406948 13.802766 1 539 1 +ATOM C C . THR A0 1 69 . 69 THR A0 C 0 -8.63861 12.9106045 14.259176 1 540 1 +ATOM O O . THR A0 1 69 . 69 THR A0 O 0 -8.5501995 12.0992775 15.18454 1 541 1 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 0 -10.585348 14.372852 14.853975 1 542 1 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 0 -11.859253 14.854143 14.414495 1 543 1 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 0 -9.652285 15.559345 15.079069 1 544 1 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 0 -7.596085 13.365515 13.572571 1 545 1 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 0 -6.230769 13.015892 13.942879 1 546 1 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 0 -5.6204085 14.224946 14.650166 1 547 1 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 0 -5.803036 15.360807 14.2236395 1 548 1 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 0 -5.393441 12.639477 12.698754 1 549 1 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 0 -6.024602 11.429356 11.992649 1 550 1 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 0 -3.9444969 12.342604 13.094702 1 551 1 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 0 -5.39363 11.100395 10.643285 1 552 1 +ATOM N N . SER A0 1 71 . 71 SER A0 N 0 -4.914551 13.976605 15.73527 1 553 1 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 0 -4.2683544 15.0423155 16.491226 1 554 1 +ATOM C C . SER A0 1 71 . 71 SER A0 C 0 -2.9415815 14.550144 17.03941 1 555 1 +ATOM O O . SER A0 1 71 . 71 SER A0 O 0 -2.6592493 13.352531 17.027122 1 556 1 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 0 -5.170437 15.538431 17.630962 1 557 1 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 0 -5.482424 14.495918 18.53218 1 558 1 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 0 -2.127875 15.493152 17.492966 1 559 1 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 0 -0.8257841 15.130381 18.034138 1 560 1 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 0 -0.462216 15.995659 19.23312 1 561 1 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 0 -0.8990525 17.139185 19.343403 1 562 1 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 0 0.2535522 15.273739 16.963623 1 563 1 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 0 0.31019998 15.424341 20.127678 1 564 1 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 0 0.8645772 16.141115 21.274975 1 565 1 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 0 2.361155 15.847758 21.233181 1 566 1 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 0 2.8098884 14.81573 21.716806 1 567 1 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 0 0.2511409 15.652193 22.597227 1 568 1 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 0 0.72682655 16.463013 23.796207 1 569 1 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 0 1.7458932 17.172007 23.675228 1 570 1 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 0 0.07238537 16.3866 24.860384 1 571 1 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 0 3.1058826 16.773987 20.610249 1 572 1 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 0 4.5296817 16.52483 20.442375 1 573 1 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 0 5.309873 16.549217 21.752304 1 574 1 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 0 6.4172616 16.009556 21.811502 1 575 1 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 0 5.141256 17.512264 19.43536 1 576 1 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 0 5.0542536 18.97919 19.849083 1 577 1 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 0 5.6694994 19.84943 18.741543 1 578 1 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 0 5.5233784 21.320187 19.072119 1 579 1 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 0 6.06406 22.171837 17.982573 1 580 1 +ATOM N N . SER A0 1 75 . 75 SER A0 N 0 4.7267914 17.147549 22.820698 1 581 1 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 0 5.407407 17.191395 24.108078 1 582 1 +ATOM C C . SER A0 1 75 . 75 SER A0 C 0 5.547985 15.800057 24.726364 1 583 1 +ATOM O O . SER A0 1 75 . 75 SER A0 O 0 6.4649143 15.561157 25.513288 1 584 1 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 0 4.677184 18.122997 25.084713 1 585 1 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 0 3.4435968 17.578125 25.501888 1 586 1 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 0 4.630933 14.874826 24.356506 1 587 1 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 0 4.713698 13.504901 24.84982 1 588 1 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 0 4.8651 12.512772 23.703892 1 589 1 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 0 4.6312637 11.310342 23.871956 1 590 1 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 0 3.4949992 13.127037 25.725407 1 591 1 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 0 2.1932817 13.331961 24.970287 1 592 1 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 0 3.5138094 13.925123 27.029276 1 593 1 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 0 0.9665976 12.759227 25.677837 1 594 1 +ATOM N N . SER A0 1 77 . 77 SER A0 N 0 5.2514396 13.015783 22.53545 1 595 1 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 0 5.5110073 12.190664 21.357035 1 596 1 +ATOM C C . SER A0 1 77 . 77 SER A0 C 0 4.3641396 11.226146 21.061531 1 597 1 +ATOM O O . SER A0 1 77 . 77 SER A0 O 0 4.5881567 10.050516 20.76672 1 598 1 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 0 6.8161435 11.41206 21.539429 1 599 1 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 0 7.916871 12.285015 21.738071 1 600 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 3.1332211 11.747627 21.10962 1 601 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 1.961653 10.911354 20.917973 1 602 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 1.008471 11.482233 19.866268 1 603 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 0.7269331 12.680129 19.854013 1 604 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 1.2074146 10.715496 22.242994 1 605 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 2.097346 10.117576 23.199337 1 606 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -0.004454385 9.809277 22.066544 1 607 1 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 0 0.5275142 10.596954 19.00156 1 608 1 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 0 -0.46678096 10.940832 17.990376 1 609 1 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 0 -1.7455891 10.193138 18.337572 1 610 1 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 0 -1.6939164 9.086199 18.88256 1 611 1 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 0 0.043096617 10.562005 16.582663 1 612 1 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 0 1.1488547 11.526408 16.161457 1 613 1 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 0 -1.0831032 10.592029 15.567995 1 614 1 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 0 -2.9098492 10.805467 18.035305 1 615 1 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 0 -4.2045918 10.225359 18.365414 1 616 1 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 0 -5.1114693 10.089752 17.15023 1 617 1 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 0 -5.007232 10.865215 16.192326 1 618 1 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 0 -4.933138 11.085456 19.409557 1 619 1 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 0 -4.1426225 11.332251 20.670639 1 620 1 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 0 -3.4077172 12.502806 20.83657 1 621 1 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 0 -4.145685 10.404243 21.70161 1 622 1 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 0 -2.6840792 12.734594 21.994213 1 623 1 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 0 -3.4241033 10.630554 22.864197 1 624 1 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 0 -2.6977825 11.798161 23.003426 1 625 1 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 0 -1.9799078 12.027511 24.147831 1 626 1 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 0 -5.9947557 9.115803 17.235603 1 627 1 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 0 -7.064086 8.927151 16.260923 1 628 1 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 0 -8.3458605 8.942368 17.077208 1 629 1 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 0 -8.479461 8.163082 18.031038 1 630 1 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 0 -6.9238677 7.5973134 15.518538 1 631 1 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 0 -7.999439 7.295351 14.469181 1 632 1 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 0 -7.830559 5.870289 13.942912 1 633 1 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 0 -7.9358134 8.2999525 13.320913 1 634 1 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 0 -9.285009 9.840694 16.728073 1 635 1 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 0 -10.471117 10.044895 17.546963 1 636 1 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 0 -11.772219 9.964551 16.76014 1 637 1 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 0 -11.84092 10.423155 15.612274 1 638 1 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 0 -10.377007 11.396835 18.262722 1 639 1 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 0 -11.538258 11.690586 19.19576 1 640 1 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 0 -11.373945 13.011182 19.92445 1 641 1 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 0 -10.297331 13.612958 19.908115 1 642 1 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 0 -12.422668 13.475256 20.582573 1 643 1 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 0 -12.791832 9.390259 17.388813 1 644 1 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 0 -14.152936 9.357061 16.870207 1 645 1 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 0 -15.032433 10.086603 17.885315 1 646 1 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 0 -14.899064 9.879868 19.101385 1 647 1 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 0 -14.683273 7.9239397 16.755516 1 648 1 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 0 -14.023187 7.040695 15.750212 1 649 1 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 0 -14.471095 6.752144 14.497339 1 650 1 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 0 -12.820464 6.2879663 15.913478 1 651 1 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 0 -13.6181755 5.865843 13.886902 1 652 1 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 0 -12.591663 5.5759845 14.730923 1 653 1 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 0 -11.900158 6.1664553 16.980196 1 654 1 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 0 -11.498104 4.7374105 14.561926 1 655 1 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 0 -10.812683 5.324513 16.794958 1 656 1 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 0 -10.620997 4.6377306 15.597033 1 657 1 +ATOM N N . SER A0 1 84 . 84 SER A0 N 0 -15.953023 10.894341 17.394539 1 658 1 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 0 -16.902302 11.549056 18.297924 1 659 1 +ATOM C C . SER A0 1 84 . 84 SER A0 C 0 -18.133833 10.67276 18.513224 1 660 1 +ATOM O O . SER A0 1 84 . 84 SER A0 O 0 -18.812664 10.786471 19.534376 1 661 1 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 0 -17.337082 12.908526 17.732155 1 662 1 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 0 -17.974842 12.749701 16.487228 1 663 1 +ATOM N N . SER A0 1 85 . 85 SER A0 N 0 -18.404957 9.810903 17.538284 1 664 1 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 0 -19.548878 8.90541 17.616573 1 665 1 +ATOM C C . SER A0 1 85 . 85 SER A0 C 0 -19.234627 7.6388636 16.825659 1 666 1 +ATOM O O . SER A0 1 85 . 85 SER A0 O 0 -19.285809 7.6365795 15.595051 1 667 1 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 0 -20.813076 9.581459 17.063816 1 668 1 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 0 -21.944866 8.725495 17.160915 1 669 1 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 0 -18.919205 6.5790234 17.54707 1 670 1 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 0 -18.547436 5.3191366 16.917057 1 671 1 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 0 -19.739994 4.612172 16.282013 1 672 1 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 0 -20.867764 4.7107763 16.768837 1 673 1 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 0 -17.89309 4.3867693 17.941494 1 674 1 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 0 -16.475304 4.747561 18.376331 1 675 1 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 0 -16.14717 4.0518026 19.69373 1 676 1 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 0 -15.483267 4.3326845 17.29169 1 677 1 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 0 -19.454428 3.9008973 15.193269 1 678 1 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 0 -20.431885 3.074318 14.501107 1 679 1 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 0 -19.927757 1.6415994 14.524853 1 680 1 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 0 -18.723637 1.4058697 14.634929 1 681 1 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 0 -20.614109 3.5395682 13.05582 1 682 1 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 0 -21.150097 4.9610124 12.932567 1 683 1 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 0 -21.149357 5.4137554 11.477999 1 684 1 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 0 -19.760355 5.742175 10.994196 1 685 1 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 0 -19.755596 6.3187127 9.628143 1 686 1 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 0 -20.860622 0.69260776 14.4049225 1 687 1 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 0 -20.475225 -0.71899474 14.395829 1 688 1 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 0 -19.486273 -1.0013181 13.265604 1 689 1 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 0 -18.612701 -1.8571323 13.397743 1 690 1 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 0 -21.711714 -1.6026895 14.260682 1 691 1 +ATOM N N . SER A0 1 89 . 89 SER A0 N 0 -19.625399 -0.2659371 12.156105 1 692 1 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 0 -18.749163 -0.4499113 11.006201 1 693 1 +ATOM C C . SER A0 1 89 . 89 SER A0 C 0 -17.32295 0.044949226 11.250892 1 694 1 +ATOM O O . SER A0 1 89 . 89 SER A0 O 0 -16.456127 -0.14400679 10.391112 1 695 1 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 0 -19.337437 0.24659096 9.7674 1 696 1 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 0 -19.508568 1.6327343 9.988934 1 697 1 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 0 -17.072855 0.6721394 12.404162 1 698 1 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 0 -15.722977 1.1090178 12.75214 1 699 1 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 0 -14.905138 -0.026702037 13.363108 1 700 1 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 0 -13.730629 0.16605812 13.682487 1 701 1 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 0 -15.766612 2.296313 13.735292 1 702 1 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 0 -16.274979 3.564187 13.079366 1 703 1 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 0 -17.06699 4.2906446 13.732414 1 704 1 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 0 -15.872352 3.8483312 11.926469 1 705 1 +ATOM N N . THR A0 1 91 . 91 THR A0 N 0 -15.512007 -1.1876278 13.545675 1 706 1 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 0 -14.803463 -2.341062 14.091446 1 707 1 +ATOM C C . THR A0 1 91 . 91 THR A0 C 0 -13.675536 -2.7218108 13.132069 1 708 1 +ATOM O O . THR A0 1 91 . 91 THR A0 O 0 -13.923356 -3.0464678 11.970757 1 709 1 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 0 -15.756048 -3.5339715 14.294861 1 710 1 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 0 -16.738005 -3.1910682 15.280191 1 711 1 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 0 -14.999689 -4.77791 14.73539 1 712 1 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 0 -12.44765 -2.6482224 13.618805 1 713 1 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 0 -11.289377 -2.9186454 12.772703 1 714 1 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 0 -10.011412 -2.8349338 13.590775 1 715 1 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 0 -10.02413 -2.4107103 14.744371 1 716 1 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 0 -11.220385 -1.9017367 11.621032 1 717 1 +ATOM N N . MET A0 1 93 . 93 MET A0 N 0 -8.905834 -3.243053 12.96051 1 718 1 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 0 -7.5871677 -3.0476623 13.535248 1 719 1 +ATOM C C . MET A0 1 93 . 93 MET A0 C 0 -7.0808325 -1.7253826 12.981879 1 720 1 +ATOM O O . MET A0 1 93 . 93 MET A0 O 0 -7.2232933 -1.4465574 11.779092 1 721 1 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 0 -6.636319 -4.1801205 13.119286 1 722 1 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 0 -5.2461767 -4.0717916 13.712542 1 723 1 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 0 -5.2076006 -4.3733277 15.498519 1 724 1 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 0 -5.4558096 -6.1586533 15.514281 1 725 1 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 0 -6.523327 -0.8883117 13.848291 1 726 1 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 0 -5.987306 0.40579864 13.438136 1 727 1 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 0 -4.4871836 0.45067316 13.712396 1 728 1 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 0 -4.0452404 0.15296152 14.82654 1 729 1 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 0 -6.708538 1.5490973 14.173758 1 730 1 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 0 -8.164005 1.6581945 13.77663 1 731 1 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 0 -9.141817 0.9077981 14.423203 1 732 1 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 0 -8.554867 2.4776232 12.723548 1 733 1 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 0 -10.471313 0.9720361 14.030794 1 734 1 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 0 -9.884593 2.5535913 12.328321 1 735 1 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 0 -10.8349285 1.7971737 12.986512 1 736 1 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 0 -12.144618 1.8573887 12.593277 1 737 1 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 0 -3.72442 0.81685174 12.682915 1 738 1 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 0 -2.2778544 0.91146064 12.800255 1 739 1 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 0 -1.7997953 2.3478937 12.630064 1 740 1 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 0 -2.3254733 3.0838284 11.790151 1 741 1 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 0 -1.5862725 0.08308972 11.707489 1 742 1 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 0 -1.7847742 -1.4063346 11.788322 1 743 1 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 0 -2.6957664 -2.0507455 10.956404 1 744 1 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 0 -1.0468895 -2.180174 12.676029 1 745 1 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 0 -2.8672452 -3.4233167 11.014619 1 746 1 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 0 -1.217851 -3.5555964 12.741483 1 747 1 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 0 -2.1232717 -4.164541 11.910169 1 748 1 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 0 -2.2921267 -5.518424 11.966173 1 749 1 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 0 -0.80961245 2.74476 13.417053 1 750 1 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 0 -0.1185173 4.0008087 13.16146 1 751 1 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 0 1.2171435 3.6235309 12.5485325 1 752 1 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 0 1.7153082 2.5089788 12.754128 1 753 1 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 0 0.07649634 4.823348 14.445925 1 754 1 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 0 1.106647 4.074475 15.71244 1 755 1 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 0 1.7749624 4.5188866 11.738082 1 756 1 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 0 3.0398583 4.218436 11.075131 1 757 1 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 0 3.7770138 5.5173645 10.750019 1 758 1 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 0 3.1492927 6.5296335 10.42334 1 759 1 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 0 2.7951765 3.4153776 9.797353 1 760 1 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 0 5.118456 5.4821243 10.861643 1 761 1 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 0 5.933894 6.648377 10.550508 1 762 1 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 0 6.0781517 6.7765846 9.040616 1 763 1 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 0 6.441594 5.8111553 8.3582 1 764 1 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 0 7.319952 6.534932 11.196962 1 765 1 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 0 8.121559 7.827031 11.080821 1 766 1 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 0 9.499823 7.6931286 11.702023 1 767 1 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 0 10.421022 6.9823213 10.824432 1 768 1 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 0 11.733951 6.9496384 10.9927435 1 769 1 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 0 12.290906 7.610385 11.992223 1 770 1 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 0 12.487054 6.2605705 10.151929 1 771 1 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 0 5.7752323 7.972941 8.543546 1 772 1 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 0 5.8053417 8.235748 7.1078024 1 773 1 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 0 7.0682487 8.99996 6.715122 1 774 1 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 0 7.2749214 10.135039 7.150528 1 775 1 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 0 4.563799 9.0366955 6.699452 1 776 1 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 0 4.3669696 9.1515465 5.218905 1 777 1 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 0 4.2562113 10.378402 4.581709 1 778 1 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 0 4.2353735 8.216171 4.2682295 1 779 1 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 0 4.06608 10.173329 3.2858236 1 780 1 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 0 4.0535684 8.863699 3.0661376 1 781 1 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 0 7.899556 8.367197 5.8997188 1 782 1 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 0 9.105712 8.992767 5.37899 1 783 1 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 0 8.737588 9.696158 4.0730352 1 784 1 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 0 8.210794 9.060009 3.1574519 1 785 1 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 0 10.217152 7.9591427 5.1089315 1 786 1 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 0 10.621879 7.2373033 6.3952436 1 787 1 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 0 11.431162 8.636638 4.4536963 1 788 1 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 0 11.285917 8.11583 7.4299436 1 789 1 +ATOM N N . THR A0 1 101 . 101 THR A0 N 0 8.979402 11.006802 4.016427 1 790 1 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 0 8.71415 11.757168 2.7928605 1 791 1 +ATOM C C . THR A0 1 101 . 101 THR A0 C 0 10.054985 12.078682 2.1307642 1 792 1 +ATOM O O . THR A0 1 101 . 101 THR A0 O 0 10.784283 12.971714 2.5739512 1 793 1 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 0 7.954387 13.06628 3.0858216 1 794 1 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 0 8.616304 13.797234 4.112498 1 795 1 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 0 6.524852 12.769728 3.5161033 1 796 1 +ATOM N N . THR A0 1 102 . 102 THR A0 N 0 10.370237 11.336756 1.0746176 1 797 1 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 0 11.627968 11.561407 0.37032187 1 798 1 +ATOM C C . THR A0 1 102 . 102 THR A0 C 0 11.580833 12.852022 -0.43857694 1 799 1 +ATOM O O . THR A0 1 102 . 102 THR A0 O 0 12.60944 13.496368 -0.64562905 1 800 1 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 0 11.975389 10.373679 -0.53743553 1 801 1 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 0 10.872576 10.079309 -1.4070623 1 802 1 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 0 12.293599 9.135074 0.29263425 1 803 1 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 0 10.383332 13.229172 -0.8991959 1 804 1 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 0 10.118391 14.535074 -1.487018 1 805 1 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 0 8.611883 14.729668 -1.539274 1 806 1 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 0 7.857357 13.86287 -1.0786994 1 807 1 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 0 10.7748165 14.714682 -2.860898 1 808 1 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 0 10.341797 13.746301 -3.9277704 1 809 1 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 0 9.083985 13.764467 -4.4932117 1 810 1 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 0 11.0302 12.769752 -4.5568886 1 811 1 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 0 9.00894 12.821173 -5.419139 1 812 1 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 0 10.182231 12.20382 -5.468811 1 813 1 +ATOM N N . THR A0 1 104 . 104 THR A0 N 0 8.145695 15.86499 -2.0744567 1 814 1 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 0 6.7379255 16.229073 -2.0517066 1 815 1 +ATOM C C . THR A0 1 104 . 104 THR A0 C 0 5.794107 15.130153 -2.5291367 1 816 1 +ATOM O O . THR A0 1 104 . 104 THR A0 O 0 4.7066317 14.952084 -1.9667213 1 817 1 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 0 6.5058193 17.498554 -2.905438 1 818 1 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 0 7.413411 18.519472 -2.4817224 1 819 1 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 0 5.067072 18.004776 -2.7533364 1 820 1 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 0 6.183751 14.396252 -3.5435536 1 821 1 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 0 5.3126965 13.408026 -4.159797 1 822 1 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 0 5.7222376 11.955425 -3.918849 1 823 1 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 0 5.2268734 11.060334 -4.6091795 1 824 1 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 0 5.2425127 13.656433 -5.6702967 1 825 1 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 0 4.8616524 15.076971 -6.0265884 1 826 1 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 0 5.81991 15.989111 -6.465026 1 827 1 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 0 3.5477448 15.511829 -5.912213 1 828 1 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 0 5.4709997 17.291536 -6.7831964 1 829 1 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 0 3.1976209 16.815674 -6.225864 1 830 1 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 0 4.1532364 17.703001 -6.6656547 1 831 1 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 0 3.812495 18.980753 -6.9773626 1 832 1 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 0 6.5777225 11.716762 -2.9367108 1 833 1 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 0 7.0718946 10.374958 -2.71292 1 834 1 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 0 7.204426 10.084049 -1.2237756 1 835 1 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 0 7.778882 10.891982 -0.4845009 1 836 1 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 0 8.427968 10.210385 -3.4096193 1 837 1 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 0 8.790039 8.811383 -3.784846 1 838 1 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 0 9.791905 8.847108 -4.922039 1 839 1 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 0 11.153447 8.981155 -4.4228873 1 840 1 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 0 12.204845 9.16153 -5.213169 1 841 1 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 0 12.048103 9.241962 -6.526371 1 842 1 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 0 13.39675 9.268219 -4.6772833 1 843 1 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 0 6.6747074 8.958327 -0.7989181 1 844 1 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 0 6.75125 8.603093 0.60723484 1 845 1 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 0 6.324899 7.1728983 0.86385846 1 846 1 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 0 5.720626 6.5216436 0.012428358 1 847 1 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 0 6.6423264 6.685439 2.065587 1 848 1 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 0 6.332576 5.325221 2.4617448 1 849 1 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 0 6.3387985 5.232316 3.9769979 1 850 1 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 0 6.826932 6.1378202 4.6622915 1 851 1 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 0 7.3487206 4.3411064 1.8652465 1 852 1 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 0 8.781456 4.696928 2.17972 1 853 1 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 0 9.499474 5.528091 1.3368244 1 854 1 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 0 9.3979435 4.225827 3.3219962 1 855 1 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 0 10.821089 5.8827057 1.6340556 1 856 1 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 0 10.706854 4.572704 3.6229725 1 857 1 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 0 11.417337 5.3967195 2.7777915 1 858 1 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 0 5.798509 4.135354 4.51982 1 859 1 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 0 5.7639885 3.9095216 5.9574842 1 860 1 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 0 6.857047 2.8986907 6.313555 1 861 1 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 0 6.7881885 1.7427573 5.902823 1 862 1 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 0 4.4020033 3.3531609 6.3869677 1 863 1 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 0 3.256936 4.3131957 6.1906767 1 864 1 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 0 2.231499 4.0213394 5.2990084 1 865 1 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 0 3.1898046 5.491783 6.910406 1 866 1 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 0 1.1645801 4.895509 5.132287 1 867 1 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 0 2.129647 6.374987 6.747178 1 868 1 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 0 1.1119771 6.0712028 5.855753 1 869 1 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 0 7.8711567 3.329691 7.06376 1 870 1 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 0 8.963259 2.4138818 7.3797255 1 871 1 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 0 8.82019 1.7040204 8.719488 1 872 1 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 0 9.3514185 0.59949386 8.879774 1 873 1 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 0 10.332263 3.0964277 7.268202 1 874 1 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 0 10.566508 4.238307 8.2523775 1 875 1 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 0 9.6023445 4.6956744 8.895355 1 876 1 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 0 11.736742 4.6666465 8.377922 1 877 1 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 0 8.132752 2.292986 9.686253 1 878 1 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 0 7.9134064 1.6495337 10.977584 1 879 1 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 0 6.4344645 1.7145518 11.332638 1 880 1 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 0 5.80122 2.7548075 11.15696 1 881 1 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 0 8.759301 2.3094378 12.081727 1 882 1 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 0 10.22468 1.9851886 11.985032 1 883 1 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 0 11.090866 2.8189955 11.289445 1 884 1 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 0 10.732696 0.8408176 12.571304 1 885 1 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 0 12.439795 2.513617 11.181059 1 886 1 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 0 12.0835495 0.5306708 12.470774 1 887 1 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 0 12.936003 1.3695557 11.773979 1 888 1 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 0 5.9173307 0.59847385 11.826177 1 889 1 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 0 4.4997168 0.4780815 12.161775 1 890 1 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 0 4.312705 0.13608427 13.631221 1 891 1 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 0 5.1334963 -0.5710654 14.226961 1 892 1 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 0 3.844446 -0.63103443 11.329349 1 893 1 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 0 3.7859068 -0.36935598 9.857656 1 894 1 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 0 4.845567 -0.28071368 8.99597 1 895 1 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 0 2.6030314 -0.19470939 9.073302 1 896 1 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 0 4.3882813 -0.055121377 7.7212257 1 897 1 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 0 3.0192094 0.0057844766 7.7453337 1 898 1 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 0 1.2263858 -0.18309152 9.3766 1 899 1 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 0 2.110011 0.20696446 6.6974897 1 900 1 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 0 0.32391638 0.022759356 8.342424 1 901 1 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 0 0.7670795 0.21765584 7.0254927 1 902 1 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 0 3.2034738 0.61918706 14.194775 1 903 1 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 0 2.8253922 0.22460374 15.543583 1 904 1 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 0 2.2690482 -1.1867646 15.495684 1 905 1 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 0 2.0336206 -1.7452717 14.426418 1 906 1 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 0 2.024461 -1.7687964 16.665453 1 907 1 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 0 1.5465806 -3.1437945 16.734156 1 908 1 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 0 0.06773496 -3.2794132 16.406887 1 909 1 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 0 -0.424064 -4.400522 16.220257 1 910 1 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 0 1.829205 -3.7376626 18.12938 1 911 1 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 0 0.8064623 -3.3776803 19.218487 1 912 1 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 0 1.0312066 -2.0205574 19.861122 1 913 1 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 0 1.7758518 -1.1644943 19.328556 1 914 1 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 0 0.3756005 -1.8076925 21.006239 1 915 1 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 0 -0.63919747 -2.1661937 16.336306 1 916 1 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 0 -2.0614755 -2.181243 16.035671 1 917 1 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 0 -2.9348564 -2.0898213 17.273388 1 918 1 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 0 -2.541217 -2.5161815 18.360039 1 919 1 +ATOM N N . THR A0 1 116 . 116 THR A0 N 0 -4.1233754 -1.4983145 17.103085 1 920 1 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 0 -5.106143 -1.4023551 18.171906 1 921 1 +ATOM C C . THR A0 1 116 . 116 THR A0 C 0 -6.424197 -1.9356705 17.616375 1 922 1 +ATOM O O . THR A0 1 116 . 116 THR A0 O 0 -6.9425974 -1.4135821 16.62511 1 923 1 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 0 -5.3135433 0.058448974 18.638905 1 924 1 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 0 -4.099818 0.56429744 19.199966 1 925 1 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 0 -6.4246373 0.1371263 19.681255 1 926 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 -6.951936 -2.9734018 18.25203 1 927 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 -8.220814 -3.549631 17.831211 1 928 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 -9.359223 -2.7692678 18.472221 1 929 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 -9.420744 -2.6372294 19.700342 1 930 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 -8.310456 -5.0274754 18.214466 1 931 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 -9.599857 -5.7450833 17.817158 1 932 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 -9.626547 -7.1487675 18.392376 1 933 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 -9.763075 -5.765355 16.299679 1 934 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 -10.25119 -2.235475 17.638584 1 935 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 -11.408236 -1.4940295 18.124832 1 936 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 -12.64901 -2.3022833 17.774555 1 937 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 -12.8759365 -2.631054 16.60407 1 938 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 -11.497175 -0.08422242 17.492918 1 939 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 -12.794897 0.6070515 17.910831 1 940 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 -10.282786 0.75545037 17.905827 1 941 1 +ATOM N N . THR A0 1 119 . 119 THR A0 N 0 -13.432662 -2.645621 18.789331 1 942 1 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 0 -14.665869 -3.3946724 18.598928 1 943 1 +ATOM C C . THR A0 1 119 . 119 THR A0 C 0 -15.830002 -2.4991553 19.013474 1 944 1 +ATOM O O . THR A0 1 119 . 119 THR A0 O 0 -15.857883 -1.991169 20.140167 1 945 1 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 0 -14.67827 -4.684121 19.437683 1 946 1 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 0 -13.560789 -5.50015 19.054527 1 947 1 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 0 -15.968126 -5.4613647 19.226967 1 948 1 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 0 -16.765732 -2.2835484 18.096878 1 949 1 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 0 -17.9218 -1.4393771 18.37878 1 950 1 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 0 -19.17619 -2.2921467 18.252678 1 951 1 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 0 -19.472591 -2.8280132 17.184645 1 952 1 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 0 -18.006943 -0.23387167 17.414875 1 953 1 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 0 -19.139467 0.69557714 17.829288 1 954 1 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 0 -16.676025 0.5198914 17.379862 1 955 1 +ATOM N N . SER A0 1 121 . 121 SER A0 N 0 -19.89373 -2.4188888 19.34358 1 956 1 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 0 -21.090017 -3.2465606 19.366562 1 957 1 +ATOM C C . SER A0 1 121 . 121 SER A0 C 0 -21.998085 -2.8291636 20.51794 1 958 1 +ATOM O O . SER A0 1 121 . 121 SER A0 O 0 -21.512619 -2.35361 21.549377 1 959 1 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 0 -20.716309 -4.722773 19.511238 1 960 1 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 0 -21.862278 -5.535098 19.69069 1 961 1 +ATOM N N . SER A0 1 122 . 122 SER A0 N 0 -23.308765 -3.0320654 20.325798 1 962 1 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 0 -24.264194 -2.7410536 21.395628 1 963 1 +ATOM C C . SER A0 1 122 . 122 SER A0 C 0 -24.338741 -3.886179 22.401348 1 964 1 +ATOM O O . SER A0 1 122 . 122 SER A0 O 0 -24.995224 -3.7694879 23.439636 1 965 1 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 0 -25.659079 -2.4807928 20.807865 1 966 1 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 0 -26.132471 -3.6048994 20.08871 1 967 1 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 0 -23.654678 -5.0003996 22.081274 1 968 1 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 0 -23.667677 -6.1665516 22.955639 1 969 1 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 0 -22.94773 -5.8845143 24.267448 1 970 1 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 0 -22.00613 -5.1027355 24.31134 1 971 1 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 0 -23.036186 -7.363948 22.255966 1 972 1 +ATOM N N . SER A0 1 124 . 124 SER A0 N 0 -23.419062 -6.55571 25.317074 1 973 1 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 0 -22.78804 -6.4498224 26.625916 1 974 1 +ATOM C C . SER A0 1 124 . 124 SER A0 C 0 -21.885963 -7.6602364 26.836212 1 975 1 +ATOM O O . SER A0 1 124 . 124 SER A0 O 0 -22.087263 -8.711102 26.22268 1 976 1 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 0 -23.843117 -6.3983927 27.7337 1 977 1 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 0 -24.690811 -5.271794 27.595985 1 978 1 +ATOM N N . THR A0 1 125 . 125 THR A0 N 0 -20.895172 -7.4820056 27.690086 1 979 1 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 0 -19.98882 -8.584402 27.985386 1 980 1 +ATOM C C . THR A0 1 125 . 125 THR A0 C 0 -20.783241 -9.799944 28.462166 1 981 1 +ATOM O O . THR A0 1 125 . 125 THR A0 O 0 -21.62937 -9.688861 29.35079 1 982 1 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 0 -18.964489 -8.174828 29.060764 1 983 1 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 0 -18.180368 -7.082435 28.572075 1 984 1 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 0 -18.04218 -9.336846 29.412315 1 985 1 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 0 -20.517097 -10.928682 27.829487 1 986 1 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 0 -21.244827 -12.149029 28.152838 1 987 1 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 0 -20.341335 -13.357853 27.97049 1 988 1 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 0 -19.643467 -13.471215 26.956783 1 989 1 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 0 -22.481543 -12.279036 27.248522 1 990 1 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 0 -23.315138 -13.532231 27.495693 1 991 1 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 0 -24.495174 -13.603392 26.54212 1 992 1 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 0 -25.372005 -14.825851 26.800365 1 993 1 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 0 -24.61022 -16.089859 26.58993 1 994 1 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 0 -20.359917 -14.231328 28.951746 1 995 1 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 0 -19.579966 -15.460345 28.859955 1 996 1 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 0 -20.258247 -16.460062 27.94665 1 997 1 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 0 -21.473442 -16.4017 27.744255 1 998 1 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 0 -19.479902 -17.387615 27.37968 1 999 1 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 0 -20.058441 -18.341333 26.43312 1 1000 1 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 0 -20.785534 -19.506203 27.091358 1 1001 1 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 0 -20.514202 -19.852156 28.241459 1 1002 1 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 0 -18.830273 -18.859814 25.680014 1 1003 1 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 0 -17.761345 -18.83349 26.72139 1 1004 1 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 0 -18.022406 -17.566368 27.518063 1 1005 1 +ATOM N N . SER A0 1 129 . 129 SER A0 N 0 -21.68011 -20.090614 26.315699 1 1006 1 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 0 -22.286945 -21.37016 26.681393 1 1007 1 +ATOM C C . SER A0 1 129 . 129 SER A0 C 0 -21.469421 -22.374266 25.884113 1 1008 1 +ATOM O O . SER A0 1 129 . 129 SER A0 O 0 -21.143045 -22.115496 24.712845 1 1009 1 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 0 -23.755257 -21.43677 26.25771 1 1010 1 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 0 -24.536907 -20.473179 26.953896 1 1011 1 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 0 -21.096256 -23.46597 26.498787 1 1012 1 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 0 -20.276333 -24.462727 25.825106 1 1013 1 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 0 -21.083248 -25.749205 25.64924 1 1014 1 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 0 -21.540924 -26.341803 26.632065 1 1015 1 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 0 -18.969627 -24.741539 26.602512 1 1016 1 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 0 -18.102043 -25.74673 25.85075 1 1017 1 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 0 -18.20193 -23.439232 26.82388 1 1018 1 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 0 -21.255762 -26.1486 24.407429 1 1019 1 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 0 -22.036469 -27.336021 24.089231 1 1020 1 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 0 -21.158997 -28.378641 23.406157 1 1021 1 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 0 -20.255192 -28.022234 22.643713 1 1022 1 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 0 -23.212114 -26.984089 23.165508 1 1023 1 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 0 -24.120708 -25.923061 23.718227 1 1024 1 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 0 -24.24947 -24.703825 23.073563 1 1025 1 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 0 -24.839195 -26.161095 24.871311 1 1026 1 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 0 -25.087027 -23.727863 23.587864 1 1027 1 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 0 -25.671938 -25.191727 25.391165 1 1028 1 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 0 -25.800175 -23.973333 24.74311 1 1029 1 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 0 -21.42562 -29.65456 23.67554 1 1030 1 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 0 -20.608051 -30.692862 23.047218 1 1031 1 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 0 -21.000843 -30.951672 21.600208 1 1032 1 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 0 -22.174284 -30.852968 21.23613 1 1033 1 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 0 -20.887924 -31.928286 23.91603 1 1034 1 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 0 -22.298365 -31.72208 24.369667 1 1035 1 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 0 -22.413471 -30.230715 24.605228 1 1036 1 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 0 -20.007973 -31.240068 20.798376 1 1037 1 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 0 -20.194252 -31.73952 19.440262 1 1038 1 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 0 -19.804375 -33.20363 19.570919 1 1039 1 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 0 -18.635399 -33.56886 19.450047 1 1040 1 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 0 -19.28487 -31.00134 18.444763 1 1041 1 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 0 -19.565674 -29.509426 18.29645 1 1042 1 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 0 -18.491278 -28.839474 17.45698 1 1043 1 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 0 -20.940868 -29.276426 17.690395 1 1044 1 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 0 -20.798452 -34.03328 19.908205 1 1045 1 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 0 -20.567028 -35.43168 20.263313 1 1046 1 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 0 -20.23639 -36.318253 19.065977 1 1047 1 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 0 -20.8311 -36.17733 17.99939 1 1048 1 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 0 -21.781305 -35.99053 20.992548 1 1049 1 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 0 -19.282768 -37.245728 19.266163 1 1050 1 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 0 -18.951672 -38.183464 18.195843 1 1051 1 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 0 -20.096626 -39.168365 17.980871 1 1052 1 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 0 -20.84795 -39.472023 18.914042 1 1053 1 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 0 -17.700539 -38.888542 18.721817 1 1054 1 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 0 -17.846342 -38.827908 20.20583 1 1055 1 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 0 -18.498842 -37.493233 20.481037 1 1056 1 +ATOM N N . SER A0 1 136 . 136 SER A0 N 0 -20.222834 -39.661705 16.747753 1 1057 1 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 0 -21.287727 -40.598484 16.414276 1 1058 1 +ATOM C C . SER A0 1 136 . 136 SER A0 C 0 -21.105568 -41.92031 17.148327 1 1059 1 +ATOM O O . SER A0 1 136 . 136 SER A0 O 0 -19.97262 -42.39049 17.301456 1 1060 1 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 0 -21.322014 -40.84617 14.90797 1 1061 1 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 0 -22.288351 -41.835136 14.567438 1 1062 1 +ATOM N N . SER A0 1 137 . 137 SER A0 N 0 -22.22192 -42.48362 17.56649 1 1063 1 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 0 -22.18291 -43.776573 18.250782 1 1064 1 +ATOM C C . SER A0 1 137 . 137 SER A0 C 0 -22.163345 -44.92773 17.25307 1 1065 1 +ATOM O O . SER A0 1 137 . 137 SER A0 O 0 -21.995823 -46.086258 17.644073 1 1066 1 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 0 -23.401115 -43.922604 19.169613 1 1067 1 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 0 -24.61553 -43.845097 18.438335 1 1068 1 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 0 -22.353125 -44.596962 15.98759 1 1069 1 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 0 -22.339546 -45.610916 14.941908 1 1070 1 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 0 -20.93686 -46.17753 14.781782 1 1071 1 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 0 -19.950035 -45.43221 14.817688 1 1072 1 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 0 -22.821846 -45.02846 13.607879 1 1073 1 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 0 -24.269566 -44.55522 13.638224 1 1074 1 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 0 -24.684732 -44.00921 12.275888 1 1075 1 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 0 -26.11973 -43.51144 12.296435 1 1076 1 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 0 -26.522081 -42.954933 10.986732 1 1077 1 +ATOM N N . SER A0 1 139 . 139 SER A0 N 0 -20.87815 -47.477936 14.606697 1 1078 1 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 0 -19.597355 -48.15605 14.434568 1 1079 1 +ATOM C C . SER A0 1 139 . 139 SER A0 C 0 -19.007885 -47.803898 13.065386 1 1080 1 +ATOM O O . SER A0 1 139 . 139 SER A0 O 0 -19.6776 -47.911835 12.040571 1 1081 1 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 0 -19.782158 -49.677925 14.553436 1 1082 1 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 0 -20.672836 -50.178925 13.576246 1 1083 1 +ATOM N N . THR A0 1 140 . 140 THR A0 N 0 -17.731153 -47.3636 13.083001 1 1084 1 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 0 -17.034367 -47.021263 11.853647 1 1085 1 +ATOM C C . THR A0 1 140 . 140 THR A0 C 0 -15.923189 -48.028603 11.609217 1 1086 1 +ATOM O O . THR A0 1 140 . 140 THR A0 O 0 -15.296812 -48.517757 12.55452 1 1087 1 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 0 -16.447731 -45.599335 11.926678 1 1088 1 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 0 -15.592655 -45.49376 13.0576935 1 1089 1 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 0 -17.556824 -44.558758 12.041028 1 1090 1 +ATOM N N . SER A0 1 141 . 141 SER A0 N 0 -15.653985 -48.32116 10.320764 1 1091 1 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 0 -14.646191 -49.306084 9.942851 1 1092 1 +ATOM C C . SER A0 1 141 . 141 SER A0 C 0 -13.246026 -48.673786 9.908833 1 1093 1 +ATOM O O . SER A0 1 141 . 141 SER A0 O 0 -12.945493 -47.862335 9.01841 1 1094 1 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 0 -14.995649 -49.923088 8.588307 1 1095 1 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 0 -15.100103 -48.924385 7.578484 1 1096 1 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 0 -12.40897 -49.092327 10.871948 1 1097 1 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 0 -11.01218 -48.66349 10.939909 1 1098 1 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 0 -10.810099 -47.19043 10.638813 1 1099 1 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 0 -9.967783 -46.833473 9.8034525 1 1100 1 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 0 -11.578292 -46.396706 11.3267355 1 1101 1 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 0 -11.529444 -45.00208 10.961613 1 1102 1 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 0 -11.275454 -44.00699 12.06778 1 1103 1 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 0 -10.793378 -44.33942 13.149289 1 1104 1 +ATOM N N . THR A0 1 144 . 144 THR A0 N 0 -11.581669 -42.82069 11.733564 1 1105 1 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 0 -11.377127 -41.68007 12.609668 1 1106 1 +ATOM C C . THR A0 1 144 . 144 THR A0 C 0 -12.72489 -41.09412 13.016742 1 1107 1 +ATOM O O . THR A0 1 144 . 144 THR A0 O 0 -13.668377 -41.08454 12.221857 1 1108 1 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 0 -10.5409355 -40.610794 11.886393 1 1109 1 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 0 -9.256654 -41.155624 11.561811 1 1110 1 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 0 -10.355155 -39.377117 12.753167 1 1111 1 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 0 -12.797358 -40.640366 14.246923 1 1112 1 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 0 -14.005929 -39.99701 14.743965 1 1113 1 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 0 -13.687233 -38.53997 15.044996 1 1114 1 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 0 -12.574307 -38.20947 15.453522 1 1115 1 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 0 -14.5083885 -40.689056 16.010841 1 1116 1 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 0 -14.6548 -37.67293 14.808577 1 1117 1 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 0 -14.479896 -36.26015 15.110321 1 1118 1 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 0 -15.400256 -35.871475 16.260921 1 1119 1 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 0 -16.527071 -36.366165 16.366901 1 1120 1 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 0 -14.789229 -35.405632 13.880566 1 1121 1 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 0 -14.924841 -35.0097 17.124146 1 1122 1 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 0 -15.715564 -34.496468 18.226807 1 1123 1 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 0 -15.260805 -33.065403 18.491825 1 1124 1 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 0 -14.215019 -32.63249 17.99886 1 1125 1 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 0 -15.558898 -35.36483 19.48803 1 1126 1 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 0 -14.151103 -35.541393 20.051577 1 1127 1 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 0 -13.87821 -34.54264 21.164787 1 1128 1 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 0 -13.945505 -36.96299 20.5494 1 1129 1 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 0 -16.039904 -32.33439 19.26659 1 1130 1 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 0 -15.639718 -30.962187 19.53873 1 1131 1 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 0 -16.521149 -30.263 20.554241 1 1132 1 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 0 -17.313133 -30.894684 21.268986 1 1133 1 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 0 -16.33191 -28.95451 20.629198 1 1134 1 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 0 -17.101812 -28.100067 21.518536 1 1135 1 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 0 -17.567194 -26.874443 20.752249 1 1136 1 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 0 -16.788685 -26.268436 20.001574 1 1137 1 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 0 -16.257446 -27.658855 22.721481 1 1138 1 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 0 -16.072855 -28.89659 23.980614 1 1139 1 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 0 -18.836494 -26.517998 20.93913 1 1140 1 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 0 -19.401653 -25.31483 20.346962 1 1141 1 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 0 -19.404526 -24.252663 21.44128 1 1142 1 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 0 -20.057991 -24.42388 22.480318 1 1143 1 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 0 -20.83059 -25.582092 19.850704 1 1144 1 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 0 -21.618942 -24.380322 19.329329 1 1145 1 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 0 -23.051878 -24.80381 18.992733 1 1146 1 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 0 -20.939041 -23.77538 18.101467 1 1147 1 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 0 -18.646399 -23.188255 21.227177 1 1148 1 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 0 -18.515284 -22.106512 22.202164 1 1149 1 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 0 -19.377304 -20.961636 21.681007 1 1150 1 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 0 -18.977135 -20.214863 20.779984 1 1151 1 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 0 -17.039871 -21.68222 22.349697 1 1152 1 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 0 -16.88891 -20.638285 23.436691 1 1153 1 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 0 -16.172447 -22.9097 22.65443 1 1154 1 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 0 -20.574526 -20.844627 22.235119 1 1155 1 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 0 -21.590542 -19.978912 21.66024 1 1156 1 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 0 -22.009766 -18.787697 22.517822 1 1157 1 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 0 -22.016289 -18.861664 23.753399 1 1158 1 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 0 -22.829693 -20.809864 21.310461 1 1159 1 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 0 -23.797966 -20.131695 20.349276 1 1160 1 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 0 -24.929268 -21.069233 19.9723 1 1161 1 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 0 -25.794025 -20.505997 18.849064 1 1162 1 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 0 -26.332561 -19.170118 19.130375 1 1163 1 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 0 -22.33426 -17.714214 21.837547 1 1164 1 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 0 -22.943497 -16.516405 22.404806 1 1165 1 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 0 -22.09082 -15.825794 23.465603 1 1166 1 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 0 -22.49651 -15.682201 24.621838 1 1167 1 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 0 -24.337746 -16.835348 22.95826 1 1168 1 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 0 -25.312918 -17.268991 21.880722 1 1169 1 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 0 -25.11491 -16.887798 20.703213 1 1170 1 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 0 -26.285952 -17.98099 22.19588 1 1171 1 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 0 -20.921543 -15.3548565 23.058243 1 1172 1 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 0 -20.068447 -14.600754 23.966637 1 1173 1 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 0 -19.68858 -13.254029 23.356134 1 1174 1 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 0 -19.81988 -13.0341835 22.144073 1 1175 1 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 0 -18.80748 -15.402607 24.337336 1 1176 1 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 0 -17.863808 -15.64947 23.181316 1 1177 1 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 0 -17.970478 -16.803967 22.39909 1 1178 1 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 0 -16.840302 -14.755302 22.886196 1 1179 1 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 0 -17.0964 -17.046242 21.355232 1 1180 1 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 0 -15.956459 -14.990614 21.845947 1 1181 1 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 0 -16.088684 -16.138163 21.085144 1 1182 1 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 0 -15.224122 -16.373026 20.053226 1 1183 1 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 0 -19.246853 -12.362387 24.221642 1 1184 1 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 0 -18.798777 -11.037958 23.797089 1 1185 1 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 0 -17.948465 -10.436717 24.895752 1 1186 1 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 0 -18.292534 -10.552109 26.0716 1 1187 1 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 0 -19.993462 -10.119425 23.486229 1 1188 1 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 0 -19.571857 -8.781319 22.95423 1 1189 1 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 0 -19.360748 -7.7098637 23.81646 1 1190 1 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 0 -19.33797 -8.601723 21.603363 1 1191 1 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 0 -18.937576 -6.4842806 23.334658 1 1192 1 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 0 -18.91341 -7.3775063 21.120068 1 1193 1 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 0 -18.716393 -6.315222 21.98001 1 1194 1 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 0 -16.867233 -9.766123 24.539795 1 1195 1 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 0 -16.253143 -9.665756 23.209255 1 1196 1 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 0 -15.24675 -10.789093 22.981564 1 1197 1 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 0 -15.16632 -11.725018 23.787567 1 1198 1 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 0 -15.519541 -8.313812 23.300938 1 1199 1 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 0 -15.025307 -8.303318 24.715178 1 1200 1 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 0 -16.10942 -8.960945 25.534575 1 1201 1 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 0 -14.533747 -10.70356 21.898232 1 1202 1 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 0 -13.406476 -11.612626 21.666853 1 1203 1 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 0 -12.330519 -11.293068 22.691898 1 1204 1 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 0 -12.279094 -10.160381 23.2092 1 1205 1 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 0 -12.854649 -11.385281 20.251081 1 1206 1 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 0 -13.730343 -11.949988 19.14661 1 1207 1 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 0 -13.197069 -13.267436 18.626268 1 1208 1 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 0 -13.169318 -14.246061 19.393923 1 1209 1 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 0 -12.78746 -13.311863 17.441074 1 1210 1 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 0 -11.463369 -12.196459 23.029747 1 1211 1 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 0 -11.33616 -13.55957 22.50875 1 1212 1 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 0 -11.729896 -14.6164255 23.530016 1 1213 1 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 0 -11.957638 -14.304104 24.701778 1 1214 1 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 0 -9.826956 -13.673737 22.233349 1 1215 1 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 0 -9.225565 -12.933403 23.403612 1 1216 1 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 0 -10.191259 -11.806051 23.728287 1 1217 1 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 0 -11.808495 -15.8462715 23.054092 1 1218 1 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 0 -11.902958 -17.01164 23.93069 1 1219 1 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 0 -10.723992 -17.901566 23.560274 1 1220 1 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 0 -10.217775 -17.844725 22.431423 1 1221 1 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 0 -13.209885 -17.820967 23.764091 1 1222 1 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 0 -14.411997 -17.026348 24.225119 1 1223 1 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 0 -13.371805 -18.311697 22.33903 1 1224 1 +ATOM N N . THR A0 1 160 . 160 THR A0 N 0 -10.259901 -18.682922 24.516823 1 1225 1 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 0 -9.201418 -19.64473 24.248678 1 1226 1 +ATOM C C . THR A0 1 160 . 160 THR A0 C 0 -9.761869 -21.030582 24.536358 1 1227 1 +ATOM O O . THR A0 1 160 . 160 THR A0 O 0 -10.580622 -21.196735 25.45171 1 1228 1 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 0 -7.953728 -19.406439 25.12235 1 1229 1 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 0 -8.308783 -19.464218 26.503765 1 1230 1 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 0 -7.332231 -18.05459 24.809671 1 1231 1 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 0 -9.369011 -21.997843 23.722086 1 1232 1 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 0 -9.830631 -23.371891 23.898502 1 1233 1 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 0 -8.626759 -24.310976 23.867184 1 1234 1 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 0 -7.7777557 -24.20905 22.983763 1 1235 1 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 0 -10.821828 -23.793905 22.78954 1 1236 1 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 0 -11.333046 -25.212301 23.043337 1 1237 1 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 0 -11.990694 -22.816288 22.70099 1 1238 1 +ATOM N N . SER A0 1 162 . 162 SER A0 N 0 -8.573688 -25.189396 24.841908 1 1239 1 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 0 -7.566232 -26.2418 24.86026 1 1240 1 +ATOM C C . SER A0 1 162 . 162 SER A0 C 0 -8.294156 -27.562515 25.061075 1 1241 1 +ATOM O O . SER A0 1 162 . 162 SER A0 O 0 -9.482754 -27.576084 25.40218 1 1242 1 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 0 -6.5345073 -26.019432 25.97979 1 1243 1 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 0 -7.142234 -26.103153 27.254791 1 1244 1 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 0 -7.589364 -28.650822 24.851278 1 1245 1 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 0 -8.170589 -29.968948 25.028849 1 1246 1 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 0 -7.343377 -30.765636 26.031296 1 1247 1 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 0 -6.1152167 -30.80434 25.940561 1 1248 1 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 0 -8.269517 -30.704006 23.681408 1 1249 1 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 0 -9.390572 -30.191582 22.832666 1 1250 1 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 0 -9.345653 -29.159695 21.950577 1 1251 1 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 0 -10.740857 -30.671894 22.8298 1 1252 1 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 0 -10.5883045 -28.956953 21.394278 1 1253 1 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 0 -11.453279 -29.874416 21.912914 1 1254 1 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 0 -11.410946 -31.699932 23.512257 1 1255 1 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 0 -12.81401 -30.072496 21.65852 1 1256 1 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 0 -12.755817 -31.895828 23.257093 1 1257 1 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 0 -13.44594 -31.09657 22.344063 1 1258 1 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 0 -8.038534 -31.374638 26.969002 1 1259 1 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 0 -7.411524 -32.158203 28.031277 1 1260 1 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 0 -6.273065 -31.3635 28.681019 1 1261 1 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 0 -5.162511 -31.860668 28.876106 1 1262 1 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 0 -6.909527 -33.494675 27.48479 1 1263 1 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 0 -8.049667 -34.41815 27.105404 1 1264 1 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 0 -9.218213 -34.123604 27.363983 1 1265 1 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 0 -7.741507 -35.54011 26.46938 1 1266 1 +ATOM N N . SER A0 1 165 . 165 SER A0 N 0 -6.593311 -30.079754 28.993996 1 1267 1 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 0 -5.6626368 -29.168915 29.65836 1 1268 1 +ATOM C C . SER A0 1 165 . 165 SER A0 C 0 -4.3465586 -29.020763 28.89808 1 1269 1 +ATOM O O . SER A0 1 165 . 165 SER A0 O 0 -3.2935128 -28.830643 29.50452 1 1270 1 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 0 -5.401684 -29.615227 31.098541 1 1271 1 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 0 -6.6188483 -29.663692 31.83671 1 1272 1 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 0 -4.4273987 -29.102648 27.574268 1 1273 1 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 0 -3.2552102 -28.919582 26.737907 1 1274 1 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 0 -2.5348792 -30.193851 26.361855 1 1275 1 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 0 -1.5959162 -30.15126 25.566753 1 1276 1 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 0 -2.9590406 -31.294933 26.902685 1 1277 1 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 0 -2.3036063 -32.573025 26.611412 1 1278 1 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 0 -2.6497748 -33.09133 25.216007 1 1279 1 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 0 -1.9144893 -33.904877 24.659359 1 1280 1 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 0 -2.6801744 -33.61313 27.658182 1 1281 1 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 0 -3.784188 -32.627766 24.679989 1 1282 1 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 0 -4.20455 -33.06183 23.35186 1 1283 1 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 0 -4.127606 -31.87445 22.394598 1 1284 1 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 0 -4.8679395 -30.902378 22.54058 1 1285 1 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 0 -5.638617 -33.60803 23.406982 1 1286 1 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 0 -6.2825675 -34.043163 22.08447 1 1287 1 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 0 -7.685442 -34.584084 22.343647 1 1288 1 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 0 -5.431484 -35.054306 21.342508 1 1289 1 +ATOM N N . THR A0 1 169 . 169 THR A0 N 0 -3.2277894 -31.947674 21.4402 1 1290 1 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 0 -3.0592296 -30.884148 20.46341 1 1291 1 +ATOM C C . THR A0 1 169 . 169 THR A0 C 0 -3.1018107 -31.405418 19.035053 1 1292 1 +ATOM O O . THR A0 1 169 . 169 THR A0 O 0 -3.5143027 -30.672602 18.131878 1 1293 1 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 0 -1.7390065 -30.114326 20.680761 1 1294 1 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 0 -0.64259803 -31.02118 20.576544 1 1295 1 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 0 -1.7146919 -29.447643 22.052849 1 1296 1 +ATOM N N . SER A0 1 170 . 170 SER A0 N 0 -2.7035222 -32.630646 18.830406 1 1297 1 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 0 -2.688218 -33.21309 17.492153 1 1298 1 +ATOM C C . SER A0 1 170 . 170 SER A0 C 0 -4.1184607 -33.40884 16.984428 1 1299 1 +ATOM O O . SER A0 1 170 . 170 SER A0 O 0 -4.9589787 -33.966427 17.690243 1 1300 1 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 0 -1.950821 -34.54839 17.510235 1 1301 1 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 0 -1.9124107 -35.120323 16.211578 1 1302 1 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 0 -4.385194 -32.927525 15.785452 1 1303 1 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 0 -5.6934423 -33.06494 15.180257 1 1304 1 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 0 -6.7066665 -32.03057 15.6140175 1 1305 1 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 0 -7.869565 -32.10797 15.209307 1 1306 1 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 0 -6.280912 -31.062668 16.424297 1 1307 1 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 0 -7.184924 -30.028137 16.911901 1 1308 1 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 0 -7.2926216 -28.87111 15.919125 1 1309 1 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 0 -6.282657 -28.418541 15.370794 1 1310 1 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 0 -6.7194767 -29.482712 18.282051 1 1311 1 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 0 -7.55478 -28.26824 18.695219 1 1312 1 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 0 -6.8111672 -30.572681 19.342834 1 1313 1 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 0 -8.512243 -28.400906 15.702833 1 1314 1 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 0 -8.756886 -27.205853 14.9085655 1 1315 1 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 0 -9.717348 -26.313713 15.687223 1 1316 1 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 0 -10.870253 -26.70781 15.925119 1 1317 1 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 0 -9.384006 -27.53971 13.542215 1 1318 1 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 0 -8.479101 -28.279604 12.622122 1 1319 1 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 0 -7.263238 -27.768291 12.196251 1 1320 1 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 0 -8.609791 -29.481153 12.039442 1 1321 1 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 0 -6.6884933 -28.640747 11.395731 1 1322 1 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 0 -7.47859 -29.691198 11.279476 1 1323 1 +ATOM N N . THR A0 1 174 . 174 THR A0 N 0 -9.246107 -25.159561 16.082802 1 1324 1 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 0 -10.119061 -24.190268 16.737698 1 1325 1 +ATOM C C . THR A0 1 174 . 174 THR A0 C 0 -10.372634 -23.084877 15.711126 1 1326 1 +ATOM O O . THR A0 1 174 . 174 THR A0 O 0 -9.4483595 -22.368626 15.319466 1 1327 1 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 0 -9.478997 -23.627995 18.018745 1 1328 1 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 0 -9.317056 -24.711178 18.956589 1 1329 1 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 0 -10.371197 -22.562248 18.644094 1 1330 1 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 0 -11.606886 -22.987995 15.273151 1 1331 1 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 0 -11.962046 -22.075762 14.191163 1 1332 1 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 0 -12.057123 -20.617561 14.628966 1 1333 1 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 0 -12.363863 -20.326069 15.787844 1 1334 1 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 0 -13.297367 -22.498287 13.567823 1 1335 1 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 0 -13.217798 -23.800571 12.835894 1 1336 1 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 0 -13.4687805 -24.99935 13.4869795 1 1337 1 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 0 -12.863722 -23.823957 11.498262 1 1338 1 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 0 -13.359154 -26.205627 12.8160515 1 1339 1 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 0 -12.7570095 -25.02435 10.818353 1 1340 1 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 0 -13.007511 -26.218418 11.479129 1 1341 1 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 0 -11.772491 -19.695217 13.685641 1 1342 1 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 0 -11.955228 -18.273167 13.994858 1 1343 1 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 0 -13.420776 -18.033794 14.353527 1 1344 1 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 0 -14.323251 -18.65945 13.785194 1 1345 1 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 0 -11.584623 -17.57507 12.677262 1 1346 1 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 0 -10.658769 -18.54168 11.990058 1 1347 1 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 0 -11.222931 -19.89407 12.337915 1 1348 1 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 0 -13.645327 -17.143993 15.300158 1 1349 1 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 0 -15.006782 -16.837944 15.720219 1 1350 1 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 0 -15.771206 -16.124493 14.61009 1 1351 1 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 0 -15.178776 -15.438549 13.776745 1 1352 1 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 0 -14.986523 -15.969593 16.97446 1 1353 1 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 0 -17.080286 -16.2922 14.604691 1 1354 1 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 0 -17.943613 -15.584394 13.670044 1 1355 1 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 0 -18.893406 -14.7157135 14.487177 1 1356 1 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 0 -19.294952 -15.086271 15.597752 1 1357 1 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 0 -18.75704 -16.539768 12.759512 1 1358 1 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 0 -17.811897 -17.351799 11.871504 1 1359 1 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 0 -19.656498 -17.448904 13.578165 1 1360 1 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 0 -19.21636 -13.5434475 13.945404 1 1361 1 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 0 -20.136555 -12.636414 14.61775 1 1362 1 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 0 -21.553936 -12.957411 14.1451645 1 1363 1 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 0 -21.859848 -12.847994 12.954485 1 1364 1 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 0 -19.79593 -11.178639 14.296299 1 1365 1 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 0 -20.653517 -10.118357 14.9871645 1 1366 1 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 0 -20.2767 -8.729496 14.48297 1 1367 1 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 0 -20.476583 -10.200822 16.506699 1 1368 1 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 0 -22.397003 -13.352285 15.069048 1 1369 1 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 0 -23.776592 -13.715927 14.751696 1 1370 1 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 0 -24.649792 -12.465689 14.655486 1 1371 1 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 0 -24.268196 -11.380156 15.090807 1 1372 1 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 0 -24.325981 -14.657135 15.823845 1 1373 1 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 0 -23.523064 -15.927639 15.983773 1 1374 1 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 0 -23.913992 -16.715717 17.211086 1 1375 1 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 0 -24.59375 -17.731472 17.106941 1 1376 1 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 0 -23.516068 -16.231506 18.381968 1 1377 1 +ATOM N N . SER A0 1 181 . 181 SER A0 N 0 -25.82692 -12.623164 14.049804 1 1378 1 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 0 -26.749409 -11.502577 13.893711 1 1379 1 +ATOM C C . SER A0 1 181 . 181 SER A0 C 0 -27.167774 -10.914332 15.235121 1 1380 1 +ATOM O O . SER A0 1 181 . 181 SER A0 O 0 -27.588501 -9.75816 15.304255 1 1381 1 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 0 -27.9897 -11.944784 13.102886 1 1382 1 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 0 -28.671488 -12.981798 13.767342 1 1383 1 +ATOM N N . SER A0 1 182 . 182 SER A0 N 0 -27.032856 -11.696281 16.28828 1 1384 1 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 0 -27.3624 -11.248803 17.638376 1 1385 1 +ATOM C C . SER A0 1 182 . 182 SER A0 C 0 -26.334606 -10.269799 18.186447 1 1386 1 +ATOM O O . SER A0 1 182 . 182 SER A0 O 0 -26.587189 -9.599022 19.19018 1 1387 1 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 0 -27.454962 -12.452572 18.580221 1 1388 1 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 0 -26.205833 -13.102438 18.672424 1 1389 1 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 0 -25.180431 -10.188274 17.527193 1 1390 1 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 0 -24.099285 -9.338692 18.011782 1 1391 1 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 0 -23.136587 -10.079119 18.90865 1 1392 1 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 0 -22.180267 -9.487066 19.417793 1 1393 1 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 0 -23.398039 -11.370201 19.111462 1 1394 1 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 0 -22.537436 -12.206787 19.934902 1 1395 1 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 0 -21.698738 -13.119669 19.042881 1 1396 1 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 0 -22.086346 -13.423569 17.914003 1 1397 1 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 0 -23.377686 -13.048876 20.900806 1 1398 1 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 0 -24.316584 -12.2715845 21.833729 1 1399 1 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 0 -25.218288 -13.231277 22.60405 1 1400 1 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 0 -23.520212 -11.392855 22.790775 1 1401 1 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 0 -20.551987 -13.542238 19.562313 1 1402 1 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 0 -19.6581 -14.405825 18.803448 1 1403 1 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 0 -19.914213 -15.879205 19.085175 1 1404 1 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 0 -20.493393 -16.237179 20.104694 1 1405 1 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 0 -18.194887 -14.088001 19.141766 1 1406 1 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 0 -17.736382 -12.734056 18.667948 1 1407 1 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 0 -17.742931 -11.638949 19.52338 1 1408 1 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 0 -17.276783 -12.552603 17.376583 1 1409 1 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 0 -17.313152 -10.39209 19.095064 1 1410 1 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 0 -16.845955 -11.309904 16.93942 1 1411 1 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 0 -16.861725 -10.234494 17.80617 1 1412 1 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 0 -16.434875 -9.007277 17.378582 1 1413 1 +ATOM N N . SER A0 1 186 . 186 SER A0 N 0 -19.465704 -16.700947 18.157486 1 1414 1 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 0 -19.572708 -18.147316 18.306282 1 1415 1 +ATOM C C . SER A0 1 186 . 186 SER A0 C 0 -18.404528 -18.792486 17.571592 1 1416 1 +ATOM O O . SER A0 1 186 . 186 SER A0 O 0 -17.993727 -18.315453 16.511124 1 1417 1 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 0 -20.89534 -18.655853 17.730154 1 1418 1 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 0 -21.015013 -20.06997 17.848156 1 1419 1 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 0 -17.877089 -19.862791 18.131897 1 1420 1 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 0 -16.839846 -20.625355 17.448559 1 1421 1 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 0 -16.935762 -22.086308 17.859188 1 1422 1 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 0 -17.590523 -22.42339 18.84452 1 1423 1 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 0 -15.441172 -20.074863 17.731022 1 1424 1 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 0 -14.788723 -20.18536 19.105402 1 1425 1 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 0 -13.571469 -19.256927 19.148869 1 1426 1 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 0 -14.338314 -21.614952 19.455471 1 1427 1 +ATOM N N . SER A0 1 188 . 188 SER A0 N 0 -16.300575 -22.928688 17.083054 1 1428 1 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 0 -16.226261 -24.34897 17.411356 1 1429 1 +ATOM C C . SER A0 1 188 . 188 SER A0 C 0 -14.766708 -24.777958 17.437973 1 1430 1 +ATOM O O . SER A0 1 188 . 188 SER A0 O 0 -13.931578 -24.221638 16.7213 1 1431 1 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 0 -16.982763 -25.201225 16.390745 1 1432 1 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 0 -18.377953 -25.14684 16.607033 1 1433 1 +ATOM N N . SER A0 1 189 . 189 SER A0 N 0 -14.477913 -25.728039 18.294596 1 1434 1 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 0 -13.151918 -26.33585 18.355663 1 1435 1 +ATOM C C . SER A0 1 189 . 189 SER A0 C 0 -13.387981 -27.82793 18.176878 1 1436 1 +ATOM O O . SER A0 1 189 . 189 SER A0 O 0 -14.230359 -28.407625 18.87653 1 1437 1 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 0 -12.471444 -26.053947 19.690868 1 1438 1 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 0 -11.17555 -26.654575 19.73612 1 1439 1 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 0 -12.680496 -28.410175 17.231888 1 1440 1 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 0 -12.867891 -29.838543 16.964457 1 1441 1 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 0 -11.532824 -30.577667 17.036905 1 1442 1 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 0 -10.467844 -29.965343 16.976513 1 1443 1 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 0 -13.504682 -30.088882 15.575557 1 1444 1 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 0 -14.867975 -29.413132 15.482674 1 1445 1 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 0 -12.582623 -29.600555 14.469119 1 1446 1 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 0 -11.638313 -31.89948 17.19431 1 1447 1 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 0 -10.442295 -32.734818 17.208614 1 1448 1 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 0 -10.8151 -34.090034 16.613922 1 1449 1 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 0 -11.933039 -34.580936 16.829887 1 1450 1 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 0 -9.868179 -32.892033 18.64346 1 1451 1 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 0 -8.561554 -33.692642 18.6185 1 1452 1 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 0 -10.877375 -33.53096 19.585861 1 1453 1 +ATOM N N . THR A0 1 192 . 192 THR A0 N 0 -9.90085 -34.655495 15.828193 1 1454 1 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 0 -10.130671 -35.986675 15.277171 1 1455 1 +ATOM C C . THR A0 1 192 . 192 THR A0 C 0 -9.304587 -36.97689 16.101921 1 1456 1 +ATOM O O . THR A0 1 192 . 192 THR A0 O 0 -8.146664 -36.703484 16.442955 1 1457 1 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 0 -9.72872 -36.076256 13.789131 1 1458 1 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 0 -8.423317 -35.5365 13.614757 1 1459 1 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 0 -10.726576 -35.31202 12.922052 1 1460 1 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 0 -9.926469 -38.109406 16.434904 1 1461 1 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 0 -9.301987 -39.127106 17.275543 1 1462 1 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 0 -9.60151 -40.511013 16.707596 1 1463 1 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 0 -10.505922 -40.67028 15.886275 1 1464 1 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 0 -9.822411 -39.047256 18.732887 1 1465 1 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 0 -9.52435 -37.67531 19.34774 1 1466 1 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 0 -11.32173 -39.33271 18.769817 1 1467 1 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 0 -8.828447 -41.523643 17.14341 1 1468 1 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 0 -9.142256 -42.877335 16.687273 1 1469 1 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 0 -10.529501 -43.28437 17.191154 1 1470 1 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 0 -10.863721 -43.035946 18.351067 1 1471 1 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 0 -8.042171 -43.735023 17.31953 1 1472 1 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 0 -6.9173923 -42.78121 17.593725 1 1473 1 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 0 -7.605626 -41.50381 17.963669 1 1474 1 +ATOM N N . SER A0 1 195 . 195 SER A0 N 0 -11.31595 -43.900974 16.322056 1 1475 1 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 0 -12.655101 -44.34643 16.725117 1 1476 1 +ATOM C C . SER A0 1 195 . 195 SER A0 C 0 -12.575603 -45.332706 17.89027 1 1477 1 +ATOM O O . SER A0 1 195 . 195 SER A0 O 0 -13.477892 -45.391727 18.727142 1 1478 1 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 0 -13.368757 -44.99946 15.545258 1 1479 1 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 0 -13.5746355 -44.07449 14.496843 1 1480 1 +ATOM N N . SER A0 1 196 . 196 SER A0 N 0 -11.484739 -46.088196 17.958492 1 1481 1 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 0 -11.30022 -47.079147 19.016575 1 1482 1 +ATOM C C . SER A0 1 196 . 196 SER A0 C 0 -11.101409 -46.4537 20.392195 1 1483 1 +ATOM O O . SER A0 1 196 . 196 SER A0 O 0 -11.231424 -47.140404 21.408539 1 1484 1 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 0 -10.107371 -47.98164 18.686817 1 1485 1 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 0 -8.914745 -47.228462 18.574362 1 1486 1 +ATOM N N . SER A0 1 197 . 197 SER A0 N 0 -10.784483 -45.16003 20.434233 1 1487 1 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 0 -10.561643 -44.48929 21.707394 1 1488 1 +ATOM C C . SER A0 1 197 . 197 SER A0 C 0 -11.8598175 -44.017666 22.35215 1 1489 1 +ATOM O O . SER A0 1 197 . 197 SER A0 O 0 -11.86665 -43.68479 23.541649 1 1490 1 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 0 -9.621214 -43.301865 21.522377 1 1491 1 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 0 -10.255991 -42.247707 20.820644 1 1492 1 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 0 -12.9432955 -43.996284 21.586403 1 1493 1 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 0 -14.223156 -43.557274 22.123976 1 1494 1 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 0 -14.69778 -44.53396 23.206936 1 1495 1 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 0 -14.766014 -45.74225 22.974949 1 1496 1 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 0 -15.275096 -43.454334 21.01186 1 1497 1 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 0 -14.986448 -42.4366 19.905602 1 1498 1 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 0 -16.085567 -42.482967 18.8572 1 1499 1 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 0 -14.817627 -41.043743 20.46025 1 1500 1 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 0 -15.018003 -44.042683 24.359709 1 1501 1 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 0 -15.45334 -44.86091 25.466486 1 1502 1 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 0 -14.335608 -45.272514 26.405762 1 1503 1 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 0 -14.598095 -45.70455 27.530157 1 1504 1 +ATOM N N . THR A0 1 200 . 200 THR A0 N 0 -13.08597 -45.1193 25.954529 1 1505 1 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 0 -11.948728 -45.470222 26.794022 1 1506 1 +ATOM C C . THR A0 1 200 . 200 THR A0 C 0 -11.115248 -44.243908 27.158504 1 1507 1 +ATOM O O . THR A0 1 200 . 200 THR A0 O 0 -10.483916 -44.213036 28.209549 1 1508 1 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 0 -11.042749 -46.509773 26.114944 1 1509 1 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 0 -10.593433 -46.00169 24.862175 1 1510 1 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 0 -11.808896 -47.810303 25.878971 1 1511 1 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 0 -11.096938 -43.273056 26.295486 1 1512 1 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 0 -10.349358 -42.037663 26.526001 1 1513 1 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 0 -11.329105 -40.900616 26.79662 1 1514 1 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 0 -12.328904 -40.758125 26.083942 1 1515 1 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 0 -9.481474 -41.70406 25.3046 1 1516 1 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 0 -8.738948 -40.38242 25.39898 1 1517 1 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 0 -7.676418 -40.37269 26.480932 1 1518 1 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 0 -6.8247547 -41.247406 26.515926 1 1519 1 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 0 -7.7389574 -39.39809 27.384888 1 1520 1 +ATOM N N . THR A0 1 202 . 202 THR A0 N 0 -11.02305 -40.090187 27.798805 1 1521 1 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 0 -11.863602 -38.948162 28.130125 1 1522 1 +ATOM C C . THR A0 1 202 . 202 THR A0 C 0 -11.39707 -37.718845 27.366806 1 1523 1 +ATOM O O . THR A0 1 202 . 202 THR A0 O 0 -10.201964 -37.422295 27.319977 1 1524 1 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 0 -11.828543 -38.661854 29.639957 1 1525 1 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 0 -12.361984 -39.78968 30.347534 1 1526 1 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 0 -12.639072 -37.419205 29.987644 1 1527 1 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 0 -12.337872 -36.994534 26.771948 1 1528 1 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 0 -12.0338745 -35.783173 26.031498 1 1529 1 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 0 -12.764769 -34.603256 26.662151 1 1530 1 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 0 -13.994282 -34.609665 26.764542 1 1531 1 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 0 -12.4206505 -35.93587 24.553802 1 1532 1 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 0 -11.608723 -37.00187 23.853615 1 1533 1 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 0 -12.166111 -38.235847 23.526653 1 1534 1 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 0 -10.272652 -36.773415 23.534954 1 1535 1 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 0 -11.411165 -39.21785 22.902859 1 1536 1 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 0 -9.513554 -37.751842 22.911676 1 1537 1 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 0 -10.084251 -38.97228 22.598316 1 1538 1 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 0 -9.34529 -39.93592 21.983501 1 1539 1 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 0 -11.994921 -33.595444 27.089754 1 1540 1 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 0 -12.536261 -32.417816 27.74299 1 1541 1 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 0 -12.013456 -31.160358 27.057678 1 1542 1 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 0 -10.807178 -31.005253 26.880466 1 1543 1 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 0 -12.155428 -32.38029 29.236816 1 1544 1 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 0 -12.712145 -33.61102 29.965822 1 1545 1 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 0 -12.667576 -31.090948 29.89056 1 1546 1 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 0 -12.210737 -33.7621 31.39684 1 1547 1 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 0 -12.940361 -30.254608 26.64877 1 1548 1 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 0 -12.50207 -28.977516 26.095428 1 1549 1 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 0 -12.5033245 -27.966316 27.232998 1 1550 1 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 0 -13.438908 -27.916574 28.042023 1 1551 1 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 0 -13.381188 -28.509598 24.937054 1 1552 1 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 0 -15.062107 -28.058369 25.353771 1 1553 1 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 0 -11.408917 -27.183723 27.3162 1 1554 1 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 0 -11.233174 -26.186085 28.362835 1 1555 1 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 0 -11.389912 -24.814934 27.718834 1 1556 1 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 0 -10.55126 -24.410275 26.900991 1 1557 1 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 0 -9.847979 -26.312716 29.01415 1 1558 1 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 0 -9.444502 -27.75541 29.2131 1 1559 1 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 0 -8.570306 -28.262297 28.483635 1 1560 1 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 0 -10.052029 -28.43325 30.162132 1 1561 1 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 0 -12.465113 -24.129475 28.074953 1 1562 1 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 0 -12.785106 -22.843452 27.477196 1 1563 1 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 0 -12.5714245 -21.717503 28.485962 1 1564 1 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 0 -13.044407 -21.795605 29.624945 1 1565 1 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 0 -14.247618 -22.82135 26.965256 1 1566 1 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 0 -14.591011 -21.467888 26.36397 1 1567 1 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 0 -14.46586 -23.932152 25.948025 1 1568 1 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 0 -11.865843 -20.665724 28.048508 1 1569 1 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 0 -11.599323 -19.518631 28.909101 1 1570 1 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 0 -11.991979 -18.23397 28.19048 1 1571 1 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 0 -11.526517 -17.970818 27.07793 1 1572 1 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 0 -10.117796 -19.480057 29.296095 1 1573 1 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 0 -9.823342 -18.444433 30.362022 1 1574 1 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 0 -10.729487 -17.914698 31.003408 1 1575 1 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 0 -8.551827 -18.163195 30.579273 1 1576 1 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 0 -12.854811 -17.45092 28.8261 1 1577 1 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 0 -13.274092 -16.151459 28.308964 1 1578 1 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 0 -12.955141 -15.121807 29.389942 1 1579 1 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 0 -13.753607 -14.897461 30.308304 1 1580 1 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 0 -14.770987 -16.138128 27.974813 1 1581 1 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 0 -15.235361 -14.850454 27.362797 1 1582 1 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 0 -16.255142 -14.094224 27.903334 1 1583 1 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 0 -14.829958 -14.196415 26.256727 1 1584 1 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 0 -16.441433 -13.027281 27.148956 1 1585 1 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 0 -15.595684 -13.059446 26.140673 1 1586 1 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 0 -11.785513 -14.544422 29.284512 1 1587 1 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 0 -11.29947 -13.619675 30.301556 1 1588 1 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 0 -12.164549 -12.380545 30.494019 1 1589 1 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 0 -12.332553 -11.9411335 31.637291 1 1590 1 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 0 -9.847447 -13.222573 30.00533 1 1591 1 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 0 -8.866835 -14.3631115 30.186214 1 1592 1 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 0 -7.4254837 -13.89147 29.984358 1 1593 1 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 0 -6.4522896 -15.04697 30.197329 1 1594 1 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 0 -5.049953 -14.60627 30.00665 1 1595 1 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 0 -12.730593 -11.767391 29.416473 1 1596 1 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 0 -13.551559 -10.568018 29.625814 1 1597 1 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 0 -14.714867 -10.776247 30.59317 1 1598 1 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 0 -15.128395 -9.825968 31.260036 1 1599 1 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 0 -14.045011 -10.2246685 28.213718 1 1600 1 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 0 -12.96081 -10.739838 27.322304 1 1601 1 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 0 -12.5306225 -12.034843 27.974201 1 1602 1 +ATOM N N . SER A0 1 212 . 212 SER A0 N 0 -15.255535 -11.992435 30.673439 1 1603 1 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 0 -16.3573 -12.285738 31.583733 1 1604 1 +ATOM C C . SER A0 1 212 . 212 SER A0 C 0 -15.914099 -13.13624 32.76373 1 1605 1 +ATOM O O . SER A0 1 212 . 212 SER A0 O 0 -16.7411 -13.545513 33.574947 1 1606 1 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 0 -17.497072 -13.000442 30.841076 1 1607 1 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 0 -17.09902 -14.295645 30.417305 1 1608 1 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 0 -14.616381 -13.388306 32.839146 1 1609 1 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 0 -14.050901 -14.234922 33.90172 1 1610 1 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 0 -14.765242 -15.585509 33.94304 1 1611 1 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 0 -15.149606 -16.068752 35.01507 1 1612 1 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 0 -14.147188 -13.529395 35.254158 1 1613 1 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 0 -13.27902 -14.184604 36.310055 1 1614 1 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 0 -12.245306 -14.769917 35.990284 1 1615 1 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 0 -13.684202 -14.067772 37.56847 1 1616 1 +ATOM N N . THR A0 1 214 . 214 THR A0 N 0 -14.956853 -16.181025 32.762985 1 1617 1 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 0 -15.656081 -17.454416 32.63819 1 1618 1 +ATOM C C . THR A0 1 214 . 214 THR A0 C 0 -14.706671 -18.562267 32.199158 1 1619 1 +ATOM O O . THR A0 1 214 . 214 THR A0 O 0 -13.992226 -18.413532 31.211102 1 1620 1 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 0 -16.808222 -17.353537 31.62173 1 1621 1 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 0 -17.71641 -16.326595 32.02087 1 1622 1 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 0 -17.552711 -18.673277 31.49617 1 1623 1 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 0 -14.716158 -19.632917 32.95404 1 1624 1 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 0 -13.9618435 -20.836554 32.60913 1 1625 1 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 0 -14.923691 -22.011284 32.616867 1 1626 1 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 0 -15.691034 -22.17128 33.573895 1 1627 1 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 0 -12.824223 -21.1005 33.601196 1 1628 1 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 0 -11.647518 -20.159958 33.454494 1 1629 1 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 0 -10.50792 -20.599995 34.37059 1 1630 1 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 0 -9.307232 -19.679394 34.229893 1 1631 1 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 0 -8.196542 -20.108315 35.110344 1 1632 1 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 0 -14.890617 -22.790218 31.55256 1 1633 1 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 0 -15.777941 -23.946308 31.447151 1 1634 1 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 0 -14.981567 -25.151722 30.96259 1 1635 1 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 0 -14.205326 -25.044664 30.010891 1 1636 1 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 0 -16.947437 -23.685146 30.467278 1 1637 1 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 0 -17.820305 -24.938702 30.316551 1 1638 1 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 0 -17.783539 -22.50263 30.922441 1 1639 1 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 0 -15.169945 -26.26458 31.624748 1 1640 1 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 0 -14.5982895 -27.532488 31.19514 1 1641 1 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 0 -15.768051 -28.4189 30.796215 1 1642 1 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 0 -16.637009 -28.702877 31.624493 1 1643 1 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 0 -13.795096 -28.20116 32.32125 1 1644 1 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 0 -12.556639 -27.4085 32.68743 1 1645 1 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 0 -12.212841 -27.36626 33.883152 1 1646 1 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 0 -11.921276 -26.832901 31.772985 1 1647 1 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 0 -15.810644 -28.808832 29.543945 1 1648 1 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 0 -16.917927 -29.605846 29.052061 1 1649 1 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 0 -16.434923 -30.95223 28.553497 1 1650 1 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 0 -15.614677 -31.031769 27.635406 1 1651 1 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 0 -17.635147 -28.870918 27.911015 1 1652 1 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 0 -18.802235 -29.63266 27.300753 1 1653 1 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 0 -19.951159 -29.843616 28.288736 1 1654 1 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 0 -20.595589 -28.539967 28.734343 1 1655 1 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 0 -21.773727 -28.782639 29.58252 1 1656 1 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 0 -16.969177 -32.00467 29.16362 1 1657 1 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 0 -16.62936 -33.35704 28.74096 1 1658 1 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 0 -17.45314 -33.6987 27.509663 1 1659 1 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 0 -18.657177 -33.44178 27.473003 1 1660 1 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 0 -16.918911 -34.364212 29.855368 1 1661 1 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 0 -16.50834 -35.790062 29.499592 1 1662 1 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 0 -16.773453 -36.726837 30.651142 1 1663 1 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 0 -16.407318 -38.10212 30.313908 1 1664 1 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 0 -16.832088 -39.16028 30.938559 1 1665 1 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 0 -17.68432 -39.02896 31.947243 1 1666 1 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 0 -16.448486 -40.369656 30.570515 1 1667 1 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 0 -16.798018 -34.227516 26.500217 1 1668 1 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 0 -17.487083 -34.595306 25.270123 1 1669 1 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 0 -17.518127 -36.110558 25.139225 1 1670 1 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 0 -16.47084 -36.745377 25.05925 1 1671 1 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 0 -16.788317 -33.957 24.047886 1 1672 1 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 0 -16.67813 -32.42727 24.200237 1 1673 1 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 0 -17.605362 -34.203133 22.776512 1 1674 1 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 0 -18.728975 -36.67001 25.130316 1 1675 1 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 0 -18.90099 -38.111614 25.025597 1 1676 1 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 0 -20.002163 -38.434822 24.025059 1 1677 1 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 0 -20.81894 -37.565495 23.691967 1 1678 1 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 0 -19.215088 -38.72062 26.402231 1 1679 1 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 0 -20.391125 -38.08681 27.106602 1 1680 1 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 0 -20.526644 -38.551727 28.540728 1 1681 1 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 0 -19.754993 -39.43476 28.968475 1 1682 1 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 0 -21.406748 -38.04107 29.252888 1 1683 1 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 0 -20.05001 -39.669792 23.514042 1 1684 1 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 0 -21.012709 -40.053833 22.472689 1 1685 1 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 0 -22.459839 -39.682316 22.78489 1 1686 1 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 0 -23.167027 -39.200714 21.908485 1 1687 1 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 0 -20.814594 -41.576313 22.362162 1 1688 1 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 0 -19.374166 -41.773315 22.685444 1 1689 1 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 0 -19.103619 -40.770042 23.780231 1 1690 1 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 0 -22.898762 -39.910202 23.94941 1 1691 1 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 0 -24.25318 -39.57187 24.391209 1 1692 1 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 0 -24.463478 -40.03633 25.824116 1 1693 1 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 0 -23.974771 -41.11406 26.183672 1 1694 1 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 0 -25.304968 -40.20833 23.448555 1 1695 1 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 0 -26.765554 -39.95179 23.883923 1 1696 1 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 0 -27.164139 -38.461983 23.738697 1 1697 1 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 0 -28.630379 -38.285965 24.11885 1 1698 1 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 0 -29.069778 -36.87879 24.050144 1 1699 1 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 0 -25.296555 -39.534843 26.630844 1 1700 1 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 0 -5.4940205 5.355785 -8.035983 1 1701 1 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 0 -5.85858 4.0091815 -7.637798 1 1702 1 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 0 -4.800994 3.006806 -8.07848 1 1703 1 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 0 -4.0958743 3.2251835 -9.064695 1 1704 1 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 0 -7.215516 3.6212513 -8.218041 1 1705 1 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 0 -8.377262 4.4369335 -7.6673355 1 1706 1 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 0 -9.711417 3.9936423 -8.222792 1 1707 1 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 0 -9.803816 3.6191287 -9.389797 1 1708 1 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 0 -10.749219 4.0013723 -7.3988066 1 1709 1 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 0 -4.7061353 1.9100617 -7.330967 1 1710 1 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 0 -3.7635603 0.85037965 -7.638983 1 1711 1 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 0 -4.508822 -0.45919222 -7.837302 1 1712 1 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 0 -5.3348756 -0.83506894 -7.008191 1 1713 1 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 0 -2.7436655 0.6773819 -6.5082035 1 1714 1 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 0 -1.7895806 1.8352401 -6.216797 1 1715 1 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 0 -0.9406314 1.5089344 -4.9970465 1 1716 1 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 0 -0.9081994 2.132351 -7.4143763 1 1717 1 +ATOM N N . THR B0 2 3 . 3 THR B0 N 0 -4.201345 -1.1418982 -8.922048 1 1718 1 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 0 -4.794407 -2.4407573 -9.202301 1 1719 1 +ATOM C C . THR B0 2 3 . 3 THR B0 C 0 -3.6903105 -3.4785948 -9.036407 1 1720 1 +ATOM O O . THR B0 2 3 . 3 THR B0 O 0 -2.7133794 -3.4785428 -9.784757 1 1721 1 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 0 -5.37117 -2.5049329 -10.626423 1 1722 1 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 0 -6.382992 -1.5015826 -10.774772 1 1723 1 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 0 -5.970361 -3.8763278 -10.907172 1 1724 1 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 0 -3.8447428 -4.340248 -8.041523 1 1725 1 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 0 -2.845786 -5.345872 -7.7277575 1 1726 1 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 0 -3.3092303 -6.71255 -8.219463 1 1727 1 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 0 -4.476342 -7.0670567 -8.077834 1 1728 1 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 0 -2.6014736 -5.364727 -6.2158575 1 1729 1 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 0 -1.3597622 -6.1153517 -5.791092 1 1730 1 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 0 -1.0108752 -5.86971 -4.330462 1 1731 1 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 0 -1.3693726 -4.84618 -3.7544274 1 1732 1 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 0 -0.30311295 -6.8186483 -3.7207422 1 1733 1 +ATOM N N . SER B0 2 5 . 5 SER B0 N 0 -2.3868861 -7.4590387 -8.819195 1 1734 1 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 0 -2.750471 -8.779414 -9.342262 1 1735 1 +ATOM C C . SER B0 2 5 . 5 SER B0 C 0 -1.5905054 -9.758575 -9.177782 1 1736 1 +ATOM O O . SER B0 2 5 . 5 SER B0 O 0 -0.42582715 -9.350792 -9.224361 1 1737 1 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 0 -3.140884 -8.6746235 -10.827683 1 1738 1 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 0 -2.0589585 -8.223061 -11.601473 1 1739 1 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 0 -1.9015442 -11.036486 -8.977891 1 1740 1 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 0 -3.2509148 -11.563948 -8.743401 1 1741 1 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 0 -3.6946952 -11.305044 -7.3124866 1 1742 1 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 0 -2.8854063 -10.89022 -6.478594 1 1743 1 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 0 -3.066139 -13.0629425 -9.004955 1 1744 1 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 0 -1.6722883 -13.334983 -8.526506 1 1745 1 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 0 -0.8833952 -12.110928 -8.922903 1 1746 1 +ATOM N N . SER B0 2 7 . 7 SER B0 N 0 -4.972532 -11.513429 -7.0418944 1 1747 1 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 0 -5.465298 -11.331608 -5.679096 1 1748 1 +ATOM C C . SER B0 2 7 . 7 SER B0 C 0 -4.9280014 -12.422163 -4.7629375 1 1749 1 +ATOM O O . SER B0 2 7 . 7 SER B0 O 0 -4.750898 -12.202841 -3.5617418 1 1750 1 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 0 -6.9940248 -11.325341 -5.661535 1 1751 1 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 0 -7.520418 -12.539477 -6.133765 1 1752 1 +ATOM N N . SER B0 2 8 . 8 SER B0 N 0 -4.651023 -13.57895 -5.331845 1 1753 1 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 0 -4.051214 -14.678866 -4.5880504 1 1754 1 +ATOM C C . SER B0 2 8 . 8 SER B0 C 0 -3.3354511 -15.601097 -5.5557985 1 1755 1 +ATOM O O . SER B0 2 8 . 8 SER B0 O 0 -3.630606 -15.617683 -6.749262 1 1756 1 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 0 -5.1040516 -15.465347 -3.7956686 1 1757 1 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 0 -5.999172 -16.136915 -4.651951 1 1758 1 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 0 -2.3674903 -16.33038 -5.0389786 1 1759 1 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 0 -1.6484461 -17.293396 -5.8586864 1 1760 1 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 0 -1.1252844 -18.40504 -4.96572 1 1761 1 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 0 -0.89979744 -18.210335 -3.777257 1 1762 1 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 0 -0.5059519 -16.62059 -6.6333237 1 1763 1 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 0 0.6604433 -16.028612 -5.855747 1 1764 1 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 0 1.278899 -14.864874 -6.6379094 1 1765 1 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 0 1.7448928 -17.0872 -5.572098 1 1766 1 +ATOM N N . SER B0 2 10 . 10 SER B0 N 0 -0.9554042 -19.577154 -5.551152 1 1767 1 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 0 -0.39187932 -20.72661 -4.8495727 1 1768 1 +ATOM C C . SER B0 2 10 . 10 SER B0 C 0 0.96762174 -21.030357 -5.464028 1 1769 1 +ATOM O O . SER B0 2 10 . 10 SER B0 O 0 1.1043422 -21.073414 -6.686179 1 1770 1 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 0 -1.3096478 -21.940722 -4.9712124 1 1771 1 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 0 -2.570527 -21.692686 -4.3760357 1 1772 1 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 0 1.9519334 -21.201775 -4.617955 1 1773 1 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 0 3.3056102 -21.462717 -5.0972385 1 1774 1 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 0 4.029106 -22.388306 -4.134645 1 1775 1 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 0 3.5796258 -22.612846 -3.0112627 1 1776 1 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 0 4.0752335 -20.15008 -5.2444696 1 1777 1 +ATOM N N . SER B0 2 12 . 12 SER B0 N 0 5.1461897 -22.92379 -4.5939174 1 1778 1 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 0 5.9516487 -23.831367 -3.7893558 1 1779 1 +ATOM C C . SER B0 2 12 . 12 SER B0 C 0 7.2677374 -23.167542 -3.3970242 1 1780 1 +ATOM O O . SER B0 2 12 . 12 SER B0 O 0 7.718381 -22.225912 -4.0562906 1 1781 1 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 0 6.2356977 -25.12477 -4.55618 1 1782 1 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 0 5.036294 -25.778677 -4.950075 1 1783 1 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 0 7.8598223 -23.675571 -2.3310056 1 1784 1 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 0 9.156094 -23.171509 -1.8900836 1 1785 1 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 0 10.145723 -23.329971 -3.0416088 1 1786 1 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 0 10.187564 -24.367287 -3.7045078 1 1787 1 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 0 9.652283 -23.929245 -0.64385253 1 1788 1 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 0 11.10954 -23.579777 -0.33832133 1 1789 1 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 0 8.759745 -23.623135 0.5501928 1 1790 1 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 0 10.915261 -22.284515 -3.3058577 1 1791 1 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 0 11.872333 -22.301521 -4.396476 1 1792 1 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 0 11.361626 -21.66938 -5.674467 1 1793 1 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 0 12.146423 -21.368046 -6.5778017 1 1794 1 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 0 10.038611 -21.454735 -5.769525 1 1795 1 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 0 9.447838 -20.856901 -6.9665346 1 1796 1 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 0 9.805851 -19.380192 -7.084914 1 1797 1 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 0 10.0565195 -18.69907 -6.082677 1 1798 1 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 0 7.9184136 -20.977503 -6.9375563 1 1799 1 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 0 7.4108067 -22.366816 -7.2687526 1 1800 1 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 0 8.233215 -23.24781 -7.5982 1 1801 1 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 0 6.180996 -22.5696 -7.2042456 1 1802 1 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 0 9.787964 -18.88651 -8.294752 1 1803 1 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 0 9.94859 -17.46653 -8.570402 1 1804 1 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 0 8.538896 -16.886887 -8.6286545 1 1805 1 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 0 7.7057443 -17.36613 -9.4055 1 1806 1 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 0 10.671186 -17.25412 -9.897336 1 1807 1 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 0 10.900965 -15.797401 -10.259654 1 1808 1 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 0 11.642653 -15.698196 -11.582658 1 1809 1 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 0 11.922808 -14.315142 -11.974961 1 1810 1 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 0 13.031737 -13.658257 -11.622246 1 1811 1 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 0 13.954244 -14.250891 -10.869307 1 1812 1 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 0 13.194854 -12.4061165 -11.998623 1 1813 1 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 0 8.287525 -15.881723 -7.8110094 1 1814 1 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 0 6.9578986 -15.285869 -7.717511 1 1815 1 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 0 6.999344 -13.822004 -8.148714 1 1816 1 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 0 7.8846054 -13.07215 -7.728467 1 1817 1 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 0 6.4087067 -15.396622 -6.2762184 1 1818 1 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 0 5.122938 -14.59992 -6.1116114 1 1819 1 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 0 6.1785216 -16.85816 -5.9178348 1 1820 1 +ATOM N N . THR B0 2 18 . 18 THR B0 N 0 6.0353656 -13.421848 -8.981646 1 1821 1 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 0 5.949852 -12.047734 -9.445728 1 1822 1 +ATOM C C . THR B0 2 18 . 18 THR B0 C 0 4.551012 -11.50016 -9.156678 1 1823 1 +ATOM O O . THR B0 2 18 . 18 THR B0 O 0 3.549304 -12.1179695 -9.5253525 1 1824 1 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 0 6.2483006 -11.939522 -10.9521885 1 1825 1 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 0 7.573742 -12.40929 -11.208889 1 1826 1 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 0 6.127585 -10.495768 -11.429069 1 1827 1 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 0 4.5067997 -10.356968 -8.478572 1 1828 1 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 0 3.2525275 -9.684999 -8.149843 1 1829 1 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 0 3.2581515 -8.344387 -8.874364 1 1830 1 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 0 4.278185 -7.647654 -8.881948 1 1831 1 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 0 3.1238537 -9.473465 -6.6264644 1 1832 1 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 0 3.0934715 -10.829919 -5.91845 1 1833 1 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 0 1.8765922 -8.6562 -6.300684 1 1834 1 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 0 3.2610004 -10.73824 -4.405802 1 1835 1 +ATOM N N . THR B0 2 20 . 20 THR B0 N 0 2.1351495 -7.9961157 -9.496481 1 1836 1 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 0 2.0480185 -6.774663 -10.286556 1 1837 1 +ATOM C C . THR B0 2 20 . 20 THR B0 C 0 1.1546674 -5.7247686 -9.625511 1 1838 1 +ATOM O O . THR B0 2 20 . 20 THR B0 O 0 0.1480825 -6.062292 -8.994789 1 1839 1 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 0 1.5154895 -7.0780497 -11.701403 1 1840 1 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 0 2.3649638 -8.048258 -12.325341 1 1841 1 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 0 1.4522583 -5.8265414 -12.567297 1 1842 1 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 0 1.5371358 -4.462287 -9.763575 1 1843 1 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 0 0.7684834 -3.335187 -9.253753 1 1844 1 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 0 0.6593071 -2.311953 -10.374541 1 1845 1 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 0 1.6771278 -1.8239269 -10.868986 1 1846 1 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 0 1.465598 -2.7318268 -8.045386 1 1847 1 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 0 0.62553066 -1.3391016 -7.296273 1 1848 1 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 0 -0.5665078 -2.002102 -10.806076 1 1849 1 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 0 -0.7940544 -1.0515344 -11.885067 1 1850 1 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 0 -1.4694617 0.20693642 -11.351829 1 1851 1 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 0 -2.5096164 0.12970623 -10.69021 1 1852 1 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 0 -1.6555629 -1.6873786 -12.982256 1 1853 1 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 0 -1.9081128 -0.75397253 -14.155494 1 1854 1 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 0 -2.6420262 -1.4723907 -15.2728195 1 1855 1 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 0 -1.8637328 -2.5824986 -15.81201 1 1856 1 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 0 -2.317535 -3.4617395 -16.696205 1 1857 1 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 0 -3.5510373 -3.3644276 -17.14939 1 1858 1 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 0 -1.5341351 -4.4333763 -17.132206 1 1859 1 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 0 -0.8492464 1.3464401 -11.617897 1 1860 1 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 0 -1.385007 2.6307545 -11.186775 1 1861 1 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 0 -2.2744856 3.2203321 -12.277731 1 1862 1 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 0 -1.9973922 3.0575562 -13.462067 1 1863 1 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 0 -0.2507562 3.597892 -10.85753 1 1864 1 +ATOM N N . SER B0 2 24 . 24 SER B0 N 0 -3.3464956 3.905984 -11.882183 1 1865 1 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 0 -4.2625184 4.5105057 -12.842133 1 1866 1 +ATOM C C . SER B0 2 24 . 24 SER B0 C 0 -3.6689065 5.7410383 -13.518269 1 1867 1 +ATOM O O . SER B0 2 24 . 24 SER B0 O 0 -4.162897 6.1724043 -14.567451 1 1868 1 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 0 -5.5832167 4.8862205 -12.153782 1 1869 1 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 0 -5.370771 5.805883 -11.105843 1 1870 1 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 0 -2.625414 6.3114986 -12.920306 1 1871 1 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 0 -1.917556 7.460467 -13.467337 1 1872 1 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 0 -0.42666197 7.2554717 -13.271221 1 1873 1 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 0 -0.008779723 6.419652 -12.464003 1 1874 1 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 0 -2.3542323 8.759289 -12.781887 1 1875 1 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 0 -3.840406 9.079262 -12.94 1 1876 1 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 0 -4.2347684 10.312387 -12.157885 1 1877 1 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 0 -3.4158287 10.902447 -11.457801 1 1878 1 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 0 -5.4960938 10.714222 -12.261148 1 1879 1 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 0 0.377142 8.034733 -13.996872 1 1880 1 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 0 1.8299637 7.9561853 -13.873973 1 1881 1 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 0 2.233459 8.440854 -12.478808 1 1882 1 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 0 1.9937116 9.595789 -12.130137 1 1883 1 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 0 2.5016854 8.816336 -14.949535 1 1884 1 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 0 3.9993365 8.588652 -15.046813 1 1885 1 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 0 4.6333942 8.254535 -14.027313 1 1886 1 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 0 4.552015 8.757844 -16.16072 1 1887 1 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 0 2.8232458 7.547613 -11.685921 1 1888 1 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 0 3.2389762 7.903306 -10.329313 1 1889 1 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 0 4.757005 7.9188495 -10.188672 1 1890 1 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 0 5.279189 7.9207506 -9.062287 1 1891 1 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 0 2.6291213 6.960439 -9.271562 1 1892 1 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 0 3.0884624 5.516383 -9.495268 1 1893 1 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 0 1.1033397 7.0499907 -9.315161 1 1894 1 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 0 2.708294 4.5675516 -8.359346 1 1895 1 +ATOM N N . SER B0 2 28 . 28 SER B0 N 0 5.468726 7.9505825 -11.311853 1 1896 1 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 0 6.9266396 7.9979506 -11.317339 1 1897 1 +ATOM C C . SER B0 2 28 . 28 SER B0 C 0 7.5017977 6.8555593 -10.482698 1 1898 1 +ATOM O O . SER B0 2 28 . 28 SER B0 O 0 7.24188 5.6939745 -10.781194 1 1899 1 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 0 7.420182 9.351968 -10.8006525 1 1900 1 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 0 8.805738 9.489615 -10.952793 1 1901 1 +ATOM N N . SER B0 2 29 . 29 SER B0 N 0 8.221909 7.1511965 -9.416353 1 1902 1 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 0 8.8020935 6.1256475 -8.558119 1 1903 1 +ATOM C C . SER B0 2 29 . 29 SER B0 C 0 8.185796 6.1121483 -7.155961 1 1904 1 +ATOM O O . SER B0 2 29 . 29 SER B0 O 0 8.777046 5.5660005 -6.2181506 1 1905 1 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 0 10.320471 6.3326483 -8.454188 1 1906 1 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 0 10.627112 7.591564 -7.887602 1 1907 1 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 0 6.986061 6.691482 -7.005869 1 1908 1 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 0 6.3321977 6.791011 -5.7027225 1 1909 1 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 0 5.567069 5.5130553 -5.3609123 1 1910 1 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 0 4.3378773 5.5208387 -5.2204304 1 1911 1 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 0 5.3963013 7.999464 -5.6746073 1 1912 1 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 0 6.283598 4.4008784 -5.2293816 1 1913 1 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 0 5.654381 3.1266785 -4.9279346 1 1914 1 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 0 6.473613 2.3327816 -3.9168992 1 1915 1 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 0 7.69752 2.2804666 -4.0057716 1 1916 1 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 0 5.4648905 2.2912865 -6.195425 1 1917 1 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 0 4.563588 1.0619206 -5.9858856 1 1918 1 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 0 5.290498 -0.21478803 -6.3002415 1 1919 1 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 0 3.254688 1.1813147 -6.6937213 1 1920 1 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 0 5.76962 1.7176405 -2.9609494 1 1921 1 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 0 6.39816 0.88712937 -1.9425048 1 1922 1 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 0 5.6807585 -0.45669273 -1.8830571 1 1923 1 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 0 4.53074 -0.577695 -2.308853 1 1924 1 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 0 6.3435016 1.5701628 -0.5732013 1 1925 1 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 0 6.3723464 -1.4617091 -1.3338727 1 1926 1 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 0 5.8134713 -2.7971416 -1.1651438 1 1927 1 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 0 5.9210615 -3.2130718 0.29578397 1 1928 1 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 0 6.954777 -2.9857152 0.9485636 1 1929 1 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 0 6.5599613 -3.8240721 -2.030276 1 1930 1 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 0 6.3203316 -3.7044883 -3.5002904 1 1931 1 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 0 7.113365 -3.067428 -4.4090376 1 1932 1 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 0 5.222602 -4.2559156 -4.238046 1 1933 1 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 0 6.5800486 -3.1913347 -5.672356 1 1934 1 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 0 5.420741 -3.9076564 -5.593973 1 1935 1 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 0 4.097205 -5.006606 -3.8864198 1 1936 1 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 0 4.5293837 -4.2891498 -6.6024675 1 1937 1 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 0 3.2177258 -5.3834867 -4.8868313 1 1938 1 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 0 3.436693 -5.026203 -6.223101 1 1939 1 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 0 4.8491497 -3.8796287 0.79993045 1 1940 1 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 0 4.792919 -4.340044 2.1814332 1 1941 1 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 0 4.4177694 -5.8102775 2.246107 1 1942 1 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 0 3.721237 -6.3307185 1.3702757 1 1943 1 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 0 3.7518454 -3.548604 2.9871306 1 1944 1 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 0 3.994591 -2.060646 3.0114303 1 1945 1 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 0 3.4935255 -1.2444019 2.004288 1 1946 1 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 0 4.7242327 -1.4681299 4.0315332 1 1947 1 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 0 3.717814 0.117504075 2.0084786 1 1948 1 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 0 4.952034 -0.1042501 4.048811 1 1949 1 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 0 4.4474216 0.68273723 3.0296624 1 1950 1 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 0 4.677422 2.0283446 3.034746 1 1951 1 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 0 4.8543377 -6.4497313 3.31806 1 1952 1 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 0 4.4994574 -7.8340616 3.5989187 1 1953 1 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 0 3.7302747 -7.86149 4.9127645 1 1954 1 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 0 4.128178 -7.1987677 5.877227 1 1955 1 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 0 5.764991 -8.690504 3.7234151 1 1956 1 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 0 5.4950066 -10.151569 4.0909147 1 1957 1 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 0 6.76285 -10.867871 4.542588 1 1958 1 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 0 7.2968845 -10.59178 5.615281 1 1959 1 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 0 7.2609587 -11.775324 3.7025123 1 1960 1 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 0 2.6183202 -8.603416 4.939166 1 1961 1 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 0 1.8662028 -8.725501 6.181924 1 1962 1 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 0 1.5116736 -10.18264 6.453271 1 1963 1 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 0 0.97442627 -10.867951 5.581586 1 1964 1 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 0 0.58394974 -7.881624 6.15018 1 1965 1 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 0 -0.1430969 -7.8912416 7.4946337 1 1966 1 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 0 -1.4285386 -7.1011496 7.484465 1 1967 1 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 0 -2.1800876 -7.122479 6.5118427 1 1968 1 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 0 -1.6967285 -6.3881264 8.584997 1 1969 1 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 0 1.8110542 -10.622044 7.6495113 1 1970 1 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 0 1.470659 -11.971287 8.093037 1 1971 1 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 0 0.30748188 -11.877026 9.073732 1 1972 1 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 0 0.12877385 -10.844943 9.729165 1 1973 1 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 0 2.684822 -12.64233 8.735798 1 1974 1 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 0 3.8097763 -12.869066 7.7456474 1 1975 1 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 0 4.9861956 -13.591839 8.377092 1 1976 1 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 0 6.0644226 -13.831194 7.334405 1 1977 1 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 0 7.230932 -14.533747 7.900278 1 1978 1 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 0 -0.5141846 -12.950513 9.170813 1 1979 1 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 0 -1.6971132 -12.896198 10.041117 1 1980 1 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 0 -1.3666744 -12.456912 11.463126 1 1981 1 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 0 -0.41942722 -12.955212 12.078974 1 1982 1 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 0 -2.213883 -14.337453 10.009801 1 1983 1 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 0 -1.7984896 -14.838481 8.656333 1 1984 1 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 0 -0.4244975 -14.236723 8.446395 1 1985 1 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 0 -2.1485114 -11.4951935 11.967884 1 1986 1 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 0 -1.9745152 -10.989875 13.315443 1 1987 1 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 0 -0.81355524 -10.042934 13.513562 1 1988 1 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 0 -0.546049 -9.632763 14.649497 1 1989 1 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 0 -0.13321112 -9.686868 12.4271965 1 1990 1 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 0 1.0238549 -8.799983 12.516886 1 1991 1 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 0 0.81877923 -7.5210495 11.713765 1 1992 1 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 0 -0.012404749 -7.474741 10.788446 1 1993 1 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 0 2.2842336 -9.509106 12.010432 1 1994 1 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 0 2.6173916 -10.807699 12.72483 1 1995 1 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 0 3.0399666 -10.56079 14.167921 1 1996 1 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 0 3.4652853 -11.862549 14.83748 1 1997 1 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 0 3.8426087 -11.646981 16.252 1 1998 1 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 0 1.5729066 -6.4976687 12.065462 1 1999 1 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 0 1.5421228 -5.249243 11.312811 1 2000 1 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 0 2.302342 -5.4455223 10.004265 1 2001 1 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 0 3.1644764 -6.317655 9.909225 1 2002 1 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 0 2.1867573 -4.1296554 12.121012 1 2003 1 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 0 1.9935665 -4.6404033 8.994869 1 2004 1 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 0 2.746447 -4.7426805 7.738 1 2005 1 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 0 4.2205853 -4.413342 7.964295 1 2006 1 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 0 4.5708055 -3.67565 8.889118 1 2007 1 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 0 2.0728693 -3.6964517 6.8371515 1 2008 1 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 0 0.68462557 -3.579666 7.385139 1 2009 1 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 0 0.86273456 -3.7019804 8.877969 1 2010 1 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 0 5.070036 -4.9721613 7.1076083 1 2011 1 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 0 6.5065403 -4.7502813 7.169691 1 2012 1 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 0 6.973726 -4.2274175 5.8153687 1 2013 1 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 0 6.658249 -4.8179293 4.7812767 1 2014 1 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 0 7.2271204 -6.0641274 7.5076284 1 2015 1 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 0 8.73509 -5.996699 7.3897715 1 2016 1 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 0 9.33721 -7.3978868 7.5170617 1 2017 1 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 0 10.8384075 -7.370125 7.2651095 1 2018 1 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 0 11.426636 -8.736593 7.2934766 1 2019 1 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 0 7.713776 -3.1185646 5.830289 1 2020 1 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 0 8.217783 -2.5389886 4.589475 1 2021 1 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 0 9.276338 -3.441184 3.952856 1 2022 1 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 0 10.1994295 -3.887309 4.62307 1 2023 1 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 0 8.819191 -1.1516126 4.855324 1 2024 1 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 0 9.436617 -0.4407693 3.6464105 1 2025 1 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 0 10.227015 0.7782584 4.112844 1 2026 1 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 0 8.357453 -0.044045605 2.6527724 1 2027 1 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 0 9.118171 -3.703165 2.6606772 1 2028 1 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 0 10.080231 -4.5088315 1.920497 1 2029 1 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 0 10.873674 -3.6382914 0.9524668 1 2030 1 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 0 12.105366 -3.6884494 0.92747045 1 2031 1 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 0 9.370363 -5.593539 1.1056447 1 2032 1 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 0 8.556333 -6.6556883 1.8403742 1 2033 1 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 0 7.8285275 -7.528473 0.81212366 1 2034 1 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 0 9.459906 -7.500841 2.7182212 1 2035 1 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 0 10.160066 -2.8807907 0.14233172 1 2036 1 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 0 10.732127 -2.0710835 -0.93316305 1 2037 1 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 0 10.122613 -0.66942286 -0.8957753 1 2038 1 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 0 8.926401 -0.5192134 -0.64981496 1 2039 1 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 0 10.432472 -2.6953824 -2.3201013 1 2040 1 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 0 11.012433 -4.1113467 -2.4327345 1 2041 1 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 0 10.928388 -1.8012805 -3.447132 1 2042 1 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 0 12.51265 -4.183828 -2.596558 1 2043 1 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 0 10.945704 0.36005032 -1.129653 1 2044 1 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 0 10.434526 1.7204618 -1.2608802 1 2045 1 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 0 11.043337 2.3652167 -2.4994373 1 2046 1 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 0 12.064432 1.9013755 -3.0171714 1 2047 1 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 0 10.7112665 2.5548463 -0.0068984656 1 2048 1 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 0 12.182095 2.721189 0.3510084 1 2049 1 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 0 12.825704 1.8053102 1.1731799 1 2050 1 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 0 12.912064 3.806285 -0.12669465 1 2051 1 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 0 14.160169 1.9599735 1.512748 1 2052 1 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 0 14.246025 3.9737225 0.21010365 1 2053 1 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 0 14.85695 3.0506244 1.0263381 1 2054 1 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 0 16.184504 3.2132893 1.3596878 1 2055 1 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 0 10.39389 3.41701 -2.992885 1 2056 1 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 0 10.835151 4.1093845 -4.201096 1 2057 1 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 0 11.101524 3.1185827 -5.337561 1 2058 1 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 0 12.107691 3.1895883 -6.03018 1 2059 1 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 0 12.079535 4.965859 -3.9175668 1 2060 1 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 0 11.779988 6.1505485 -3.0096226 1 2061 1 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 0 10.589934 6.4091277 -2.7124379 1 2062 1 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 0 12.740977 6.8239994 -2.5936346 1 2063 1 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 0 10.147768 2.1770024 -5.5103188 1 2064 1 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 0 10.115791 1.1713278 -6.5660067 1 2065 1 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 0 11.10598 0.019885002 -6.3673797 1 2066 1 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 0 10.69447 -1.1435523 -6.373605 1 2067 1 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 0 10.309409 1.7721348 -7.976551 1 2068 1 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 0 10.2589245 0.68559 -9.045542 1 2069 1 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 0 9.239204 2.829102 -8.253056 1 2070 1 +ATOM N N . SER B0 2 50 . 50 SER B0 N 0 12.392313 0.33921808 -6.1722164 1 2071 1 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 0 13.396446 -0.7195147 -6.1598454 1 2072 1 +ATOM C C . SER B0 2 50 . 50 SER B0 C 0 14.373833 -0.7020607 -4.982791 1 2073 1 +ATOM O O . SER B0 2 50 . 50 SER B0 O 0 15.268523 -1.5458958 -4.9362397 1 2074 1 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 0 14.194382 -0.6815698 -7.4685354 1 2075 1 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 0 14.879073 0.55514455 -7.6054196 1 2076 1 +ATOM N N . SER B0 2 51 . 51 SER B0 N 0 14.212242 0.23660657 -4.042638 1 2077 1 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 0 15.131651 0.31341794 -2.9159813 1 2078 1 +ATOM C C . SER B0 2 51 . 51 SER B0 C 0 14.757008 -0.72544044 -1.8546749 1 2079 1 +ATOM O O . SER B0 2 51 . 51 SER B0 O 0 13.648135 -0.69838905 -1.3142772 1 2080 1 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 0 15.127394 1.7173146 -2.3059573 1 2081 1 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 0 15.586786 2.683825 -3.2332206 1 2082 1 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 0 15.681232 -1.6271073 -1.5551229 1 2083 1 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 0 15.448108 -2.6922338 -0.5830972 1 2084 1 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 0 15.649292 -2.1578941 0.82738787 1 2085 1 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 0 16.700653 -1.595516 1.1411716 1 2086 1 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 0 16.403393 -3.857374 -0.84678453 1 2087 1 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 0 16.120216 -5.186877 -0.13994718 1 2088 1 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 0 17.276653 -6.144309 -0.33531 1 2089 1 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 0 14.8173275 -5.7874737 -0.6488119 1 2090 1 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 0 14.6237335 -2.3142476 1.6746359 1 2091 1 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 0 14.726534 -1.8568261 3.0542207 1 2092 1 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 0 15.796019 -2.6629827 3.7826297 1 2093 1 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 0 15.973549 -3.854682 3.5242512 1 2094 1 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 0 13.369118 -1.998251 3.7609904 1 2095 1 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 0 13.3933735 -1.7079245 5.2660465 1 2096 1 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 0 13.598656 -0.25837532 5.637706 1 2097 1 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 0 14.165531 0.52397287 4.842577 1 2098 1 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 0 13.20591 0.121887006 6.760236 1 2099 1 +ATOM N N . SER B0 2 54 . 54 SER B0 N 0 16.509602 -2.0175505 4.6867075 1 2100 1 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 0 17.564924 -2.6656377 5.455561 1 2101 1 +ATOM C C . SER B0 2 54 . 54 SER B0 C 0 17.025751 -3.9024715 6.179882 1 2102 1 +ATOM O O . SER B0 2 54 . 54 SER B0 O 0 15.962187 -3.8531833 6.8031654 1 2103 1 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 0 18.147568 -1.6802331 6.471408 1 2104 1 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 0 19.170038 -2.278387 7.243434 1 2105 1 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 0 17.75327 -4.9991207 6.0810995 1 2106 1 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 0 17.365332 -6.2331066 6.732544 1 2107 1 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 0 16.484793 -7.1456547 5.9086165 1 2108 1 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 0 16.257133 -8.297281 6.2989435 1 2109 1 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 0 15.976224 -6.654053 4.7785387 1 2110 1 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 0 15.121178 -7.47208 3.9193048 1 2111 1 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 0 16.005365 -8.322841 3.0072765 1 2112 1 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 0 16.951607 -7.8136835 2.403883 1 2113 1 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 0 14.170823 -6.5902214 3.08421 1 2114 1 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 0 13.360086 -7.4376974 2.112968 1 2115 1 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 0 13.249848 -5.793971 4.0061436 1 2116 1 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 0 15.722599 -9.6455765 2.9019423 1 2117 1 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 0 16.547379 -10.531331 2.0698345 1 2118 1 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 0 16.611765 -10.0787735 0.608865 1 2119 1 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 0 15.630209 -9.561282 0.06406111 1 2120 1 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 0 15.845629 -11.888927 2.2008262 1 2121 1 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 0 15.140982 -11.8209 3.5126052 1 2122 1 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 0 14.66087 -10.392082 3.6110988 1 2123 1 +ATOM N N . SER B0 2 58 . 58 SER B0 N 0 17.75788 -10.308171 -0.018719323 1 2124 1 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 0 17.987564 -9.888364 -1.3931475 1 2125 1 +ATOM C C . SER B0 2 58 . 58 SER B0 C 0 17.145779 -10.639257 -2.4250555 1 2126 1 +ATOM O O . SER B0 2 58 . 58 SER B0 O 0 17.132011 -10.25401 -3.597859 1 2127 1 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 0 19.471409 -10.0198555 -1.7480439 1 2128 1 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 0 19.908182 -11.3569145 -1.6170723 1 2129 1 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 0 16.436588 -11.704248 -2.016008 1 2130 1 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 0 15.57448 -12.400276 -2.9518223 1 2131 1 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 0 14.358922 -11.5536175 -3.3255556 1 2132 1 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 0 13.678988 -11.857836 -4.3070364 1 2133 1 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 0 15.139251 -13.7630005 -2.4028196 1 2134 1 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 0 14.263903 -13.700142 -1.1683106 1 2135 1 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 0 13.939616 -15.12236 -0.695409 1 2136 1 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 0 13.193985 -15.127071 0.5737584 1 2137 1 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 0 13.786289 -15.079386 1.7629995 1 2138 1 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 0 15.116084 -15.01313 1.8628938 1 2139 1 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 0 13.042877 -15.076117 2.852912 1 2140 1 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 0 14.10254 -10.473867 -2.5548687 1 2141 1 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 0 13.02478 -9.5380745 -2.8717883 1 2142 1 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 0 13.5821705 -8.415544 -3.748866 1 2143 1 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 0 14.647559 -7.8648214 -3.453063 1 2144 1 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 0 12.442967 -8.922618 -1.5950238 1 2145 1 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 0 11.655813 -9.883007 -0.7560166 1 2146 1 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 0 12.256119 -10.553562 0.29368585 1 2147 1 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 0 10.308874 -10.1022415 -1.012327 1 2148 1 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 0 11.528275 -11.436562 1.0770001 1 2149 1 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 0 9.577091 -10.978863 -0.23078609 1 2150 1 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 0 10.18507 -11.644817 0.81954145 1 2151 1 +ATOM N N . SER B0 2 61 . 61 SER B0 N 0 12.86644 -8.088822 -4.7988443 1 2152 1 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 0 13.277145 -6.9830647 -5.655015 1 2153 1 +ATOM C C . SER B0 2 61 . 61 SER B0 C 0 12.048506 -6.3150415 -6.25373 1 2154 1 +ATOM O O . SER B0 2 61 . 61 SER B0 O 0 11.003128 -6.9526014 -6.42548 1 2155 1 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 0 14.217253 -7.449959 -6.7703223 1 2156 1 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 0 13.553339 -8.310585 -7.674224 1 2157 1 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 0 12.155559 -5.036124 -6.5212274 1 2158 1 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 0 11.071197 -4.284092 -7.12327 1 2159 1 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 0 11.541727 -3.610043 -8.397194 1 2160 1 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 0 12.717778 -3.2651615 -8.528323 1 2161 1 +ATOM N N . SER B0 2 63 . 63 SER B0 N 0 10.64308 -3.4396193 -9.3373165 1 2162 1 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 0 10.97941 -2.788212 -10.598375 1 2163 1 +ATOM C C . SER B0 2 63 . 63 SER B0 C 0 9.744399 -2.0993872 -11.163355 1 2164 1 +ATOM O O . SER B0 2 63 . 63 SER B0 O 0 8.626387 -2.3237424 -10.682959 1 2165 1 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 0 11.53551 -3.7934837 -11.611351 1 2166 1 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 0 10.558547 -4.746175 -11.968101 1 2167 1 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 0 9.968674 -1.2733021 -12.170236 1 2168 1 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 0 8.869141 -0.5928831 -12.826399 1 2169 1 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 0 9.037823 0.9147473 -12.818981 1 2170 1 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 0 9.904149 1.4551132 -12.136968 1 2171 1 +ATOM N N . SER B0 2 65 . 65 SER B0 N 0 8.199071 1.5701079 -13.576691 1 2172 1 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 0 8.200115 3.0250487 -13.666009 1 2173 1 +ATOM C C . SER B0 2 65 . 65 SER B0 C 0 6.8917885 3.4776998 -14.292248 1 2174 1 +ATOM O O . SER B0 2 65 . 65 SER B0 O 0 6.3258514 2.7655594 -15.128174 1 2175 1 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 0 9.384262 3.523765 -14.491312 1 2176 1 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 0 9.389962 4.9336333 -14.589599 1 2177 1 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 0 6.4170456 4.649476 -13.876793 1 2178 1 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 0 5.2119694 5.1879396 -14.477321 1 2179 1 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 0 3.930742 4.5993633 -13.913824 1 2180 1 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 0 3.4369297 5.0567427 -12.878429 1 2181 1 +ATOM N N . THR B0 2 67 . 67 THR B0 N 0 3.4015534 3.5768738 -14.583416 1 2182 1 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 0 2.1474419 2.9771605 -14.157955 1 2183 1 +ATOM C C . THR B0 2 67 . 67 THR B0 C 0 2.231062 1.4869002 -13.834624 1 2184 1 +ATOM O O . THR B0 2 67 . 67 THR B0 O 0 1.3317403 0.960142 -13.168775 1 2185 1 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 0 1.0453448 3.1681697 -15.226007 1 2186 1 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 0 1.4671471 2.580197 -16.460787 1 2187 1 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 0 0.7464774 4.649726 -15.458652 1 2188 1 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 0 3.26998 0.8034004 -14.289345 1 2189 1 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 0 3.378631 -0.63605154 -14.089798 1 2190 1 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 0 4.57892 -1.0001221 -13.216787 1 2191 1 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 0 5.7084146 -0.6493286 -13.526369 1 2192 1 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 0 3.4782982 -1.361146 -15.442331 1 2193 1 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 0 2.1965585 -1.2555615 -16.255808 1 2194 1 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 0 2.2878928 -1.21685 -17.498549 1 2195 1 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 0 1.100817 -1.2097689 -15.649786 1 2196 1 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 0 4.300751 -1.71793 -12.124207 1 2197 1 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 0 5.3347807 -2.0738857 -11.156779 1 2198 1 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 0 5.2322254 -3.54837 -10.787305 1 2199 1 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 0 4.1510344 -4.135868 -10.840972 1 2200 1 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 0 5.1961393 -1.2058171 -9.896233 1 2201 1 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 0 5.2190313 0.26234874 -10.191864 1 2202 1 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 0 4.045786 0.941648 -10.497254 1 2203 1 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 0 6.415416 0.96248704 -10.19199 1 2204 1 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 0 4.0637064 2.2928762 -10.800652 1 2205 1 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 0 6.4381466 2.3142269 -10.489973 1 2206 1 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 0 5.2586064 2.9805796 -10.795103 1 2207 1 +ATOM N N . THR B0 2 70 . 70 THR B0 N 0 6.366217 -4.1272607 -10.399567 1 2208 1 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 0 6.3716884 -5.526498 -10.00946 1 2209 1 +ATOM C C . THR B0 2 70 . 70 THR B0 C 0 7.235237 -5.754966 -8.766054 1 2210 1 +ATOM O O . THR B0 2 70 . 70 THR B0 O 0 8.244042 -5.084924 -8.567934 1 2211 1 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 0 6.8947864 -6.4441223 -11.13501 1 2212 1 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 0 8.240292 -6.088329 -11.453817 1 2213 1 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 0 6.020253 -6.3626175 -12.372435 1 2214 1 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 0 6.786115 -6.706437 -7.954502 1 2215 1 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 0 7.562393 -7.212293 -6.829145 1 2216 1 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 0 7.9170666 -8.641017 -7.2029276 1 2217 1 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 0 7.0401983 -9.413649 -7.6037917 1 2218 1 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 0 6.7455287 -7.210071 -5.5339956 1 2219 1 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 0 7.4187384 -7.8884473 -4.3285513 1 2220 1 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 0 6.411107 -8.128803 -3.2080193 1 2221 1 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 0 8.59431 -7.060964 -3.8266659 1 2222 1 +ATOM N N . THR B0 2 72 . 72 THR B0 N 0 9.189281 -8.973936 -7.1088314 1 2223 1 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 0 9.626952 -10.318604 -7.4557614 1 2224 1 +ATOM C C . THR B0 2 72 . 72 THR B0 C 0 10.316942 -10.974049 -6.263341 1 2225 1 +ATOM O O . THR B0 2 72 . 72 THR B0 O 0 11.141605 -10.346819 -5.595299 1 2226 1 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 0 10.598693 -10.293382 -8.653882 1 2227 1 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 0 9.927641 -9.758187 -9.799022 1 2228 1 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 0 11.09695 -11.700081 -8.989502 1 2229 1 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 0 9.940912 -12.218188 -5.9850554 1 2230 1 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 0 10.62581 -13.034987 -4.987974 1 2231 1 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 0 11.306271 -14.120636 -5.8133206 1 2232 1 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 0 10.630419 -14.980592 -6.3897176 1 2233 1 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 0 9.651252 -13.659058 -3.9672594 1 2234 1 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 0 8.711235 -12.586346 -3.3941975 1 2235 1 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 0 10.442841 -14.335286 -2.8431628 1 2236 1 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 0 7.619932 -13.135593 -2.4709752 1 2237 1 +ATOM N N . SER B0 2 74 . 74 SER B0 N 0 12.624851 -14.051876 -5.9100237 1 2238 1 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 0 13.373581 -14.938154 -6.8021336 1 2239 1 +ATOM C C . SER B0 2 74 . 74 SER B0 C 0 13.305616 -16.41512 -6.4189453 1 2240 1 +ATOM O O . SER B0 2 74 . 74 SER B0 O 0 13.310624 -17.275517 -7.301462 1 2241 1 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 0 14.841781 -14.505039 -6.8555274 1 2242 1 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 0 15.447575 -14.626126 -5.586822 1 2243 1 +ATOM N N . SER B0 2 75 . 75 SER B0 N 0 13.251219 -16.717216 -5.1399946 1 2244 1 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 0 13.18425 -18.096506 -4.654578 1 2245 1 +ATOM C C . SER B0 2 75 . 75 SER B0 C 0 12.378134 -18.108967 -3.3619585 1 2246 1 +ATOM O O . SER B0 2 75 . 75 SER B0 O 0 12.909119 -17.827263 -2.2876322 1 2247 1 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 0 14.595564 -18.658787 -4.427393 1 2248 1 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 0 14.533156 -20.028873 -4.03077 1 2249 1 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 0 11.0936985 -18.433228 -3.4845753 1 2250 1 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 0 10.171202 -18.38183 -2.3564978 1 2251 1 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 0 10.621894 -19.253551 -1.1905694 1 2252 1 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 0 10.982737 -20.41955 -1.3845346 1 2253 1 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 0 8.772236 -18.801308 -2.82091 1 2254 1 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 0 7.5768175 -18.350073 -1.980923 1 2255 1 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 0 6.3206587 -19.024338 -2.512218 1 2256 1 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 0 7.429899 -16.832747 -2.021407 1 2257 1 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 0 10.600843 -18.67121 0.0016305624 1 2258 1 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 0 10.981235 -19.377728 1.2142098 1 2259 1 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 0 9.749535 -19.578447 2.084173 1 2260 1 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 0 8.738306 -18.88578 1.9115984 1 2261 1 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 0 12.058573 -18.595581 1.9787643 1 2262 1 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 0 13.341488 -18.39133 1.1875336 1 2263 1 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 0 13.969471 -19.707611 0.76698893 1 2264 1 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 0 14.261076 -20.561949 1.5953326 1 2265 1 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 0 14.157186 -19.885124 -0.5339846 1 2266 1 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 0 9.786958 -20.538706 3.0398417 1 2267 1 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 0 8.6157465 -20.790836 3.8831043 1 2268 1 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 0 8.096846 -19.544296 4.5932317 1 2269 1 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 0 6.885481 -19.37601 4.7370353 1 2270 1 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 0 9.131724 -21.83322 4.8848953 1 2271 1 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 0 10.179202 -22.576992 4.129126 1 2272 1 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 0 10.866757 -21.506016 3.321567 1 2273 1 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 0 8.994654 -18.657658 5.016238 1 2274 1 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 0 8.590105 -17.449703 5.7241044 1 2275 1 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 0 8.000254 -16.37942 4.80822 1 2276 1 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 0 7.551177 -15.338709 5.2898893 1 2277 1 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 0 9.781845 -16.86594 6.509977 1 2278 1 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 0 10.975308 -16.467506 5.641003 1 2279 1 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 0 12.022157 -17.557947 5.5384903 1 2280 1 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 0 11.655544 -18.763287 5.5324926 1 2281 1 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 0 13.218948 -17.223366 5.450898 1 2282 1 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 0 7.9952784 -16.61493 3.4968746 1 2283 1 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 0 7.4806747 -15.640903 2.5375872 1 2284 1 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 0 5.992456 -15.797794 2.2482479 1 2285 1 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 0 5.4243555 -14.966726 1.536592 1 2286 1 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 0 8.2603245 -15.7258415 1.2184424 1 2287 1 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 0 9.742846 -15.451405 1.3908807 1 2288 1 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 0 10.122356 -14.804369 2.3934522 1 2289 1 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 0 10.525994 -15.888817 0.5262834 1 2290 1 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 0 5.3575525 -16.840801 2.77001 1 2291 1 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 0 3.9292855 -17.012249 2.5660188 1 2292 1 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 0 3.2018886 -16.00891 3.4570086 1 2293 1 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 0 3.248275 -16.097706 4.674073 1 2294 1 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 0 3.5118034 -18.458141 2.8363624 1 2295 1 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 0 4.064436 -19.407822 1.8100687 1 2296 1 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 0 5.206141 -20.145363 2.0668974 1 2297 1 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 0 3.4545116 -19.521751 0.5713326 1 2298 1 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 0 5.7343807 -20.993338 1.1042612 1 2299 1 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 0 3.9761996 -20.369465 -0.39943996 1 2300 1 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 0 5.1208663 -21.108139 -0.13128817 1 2301 1 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 0 2.5733151 -15.042499 2.797509 1 2302 1 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 0 1.9840147 -13.887872 3.4651911 1 2303 1 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 0 1.1701229 -13.1063595 2.4491878 1 2304 1 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 0 1.0439799 -13.522942 1.2990044 1 2305 1 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 0 3.0879593 -12.999292 4.0563054 1 2306 1 +ATOM N N . THR B0 2 83 . 83 THR B0 N 0 0.62862504 -11.969271 2.8852792 1 2307 1 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 0 -0.08198112 -11.083054 1.9730291 1 2308 1 +ATOM C C . THR B0 2 83 . 83 THR B0 C 0 0.81997114 -9.891684 1.6706874 1 2309 1 +ATOM O O . THR B0 2 83 . 83 THR B0 O 0 1.4627174 -9.339825 2.5691934 1 2310 1 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 0 -1.4123882 -10.602552 2.5876567 1 2311 1 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 0 -2.2485318 -11.749393 2.8415892 1 2312 1 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 0 -2.15478 -9.658979 1.6375504 1 2313 1 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 0 0.8920542 -9.506903 0.4029535 1 2314 1 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 0 1.743817 -8.414114 -0.04423369 1 2315 1 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 0 0.90306425 -7.2606854 -0.58568084 1 2316 1 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 0 -0.074527524 -7.4821153 -1.3050566 1 2317 1 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 0 2.7283728 -8.9063225 -1.1089022 1 2318 1 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 0 3.69903 -9.92505 -0.56918377 1 2319 1 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 0 3.3499038 -11.272023 -0.4752295 1 2320 1 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 0 4.9483404 -9.538235 -0.09690659 1 2321 1 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 0 4.219642 -12.204588 0.070297875 1 2322 1 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 0 5.826685 -10.46411 0.45039463 1 2323 1 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 0 5.457104 -11.79535 0.531831 1 2324 1 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 0 6.316045 -12.716423 1.0768876 1 2325 1 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 0 1.2874353 -6.0366735 -0.21813859 1 2326 1 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 0 0.5713067 -4.8374324 -0.64293957 1 2327 1 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 0 1.5120741 -3.8356998 -1.2981093 1 2328 1 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 0 2.6359785 -3.6395593 -0.8310046 1 2329 1 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 0 -0.07449154 -4.130221 0.55937445 1 2330 1 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 0 -1.1677008 -4.901285 1.2549591 1 2331 1 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 0 -0.8882719 -5.6974826 2.3602238 1 2332 1 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 0 -2.489078 -4.816675 0.8247533 1 2333 1 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 0 -1.8951035 -6.3974614 3.0090406 1 2334 1 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 0 -3.4987679 -5.5096793 1.470732 1 2335 1 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 0 -3.197923 -6.294945 2.5630589 1 2336 1 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 0 -4.18279 -6.9841824 3.2010055 1 2337 1 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 0 1.0482253 -3.2024117 -2.3708491 1 2338 1 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 0 1.7760174 -2.0692296 -2.9323606 1 2339 1 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 0 1.105243 -0.80614656 -2.4056604 1 2340 1 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 0 -0.03920248 -0.8406095 -1.937247 1 2341 1 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 0 1.7705646 -2.0913665 -4.467697 1 2342 1 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 0 0.15827012 -2.0855107 -5.2477126 1 2343 1 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 0 1.8267548 0.2999469 -2.4296272 1 2344 1 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 0 1.3239591 1.5629382 -1.9034953 1 2345 1 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 0 1.9198179 2.727704 -2.687244 1 2346 1 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 0 3.1083312 2.7247252 -2.9893742 1 2347 1 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 0 1.6691393 1.7014823 -0.42308855 1 2348 1 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 0 1.3780792 3.0876672 0.17014238 1 2349 1 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 0 2.6460705 3.8571992 0.5014337 1 2350 1 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 0 3.4375825 3.4280484 1.329809 1 2351 1 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 0 2.8556721 4.986704 -0.1647118 1 2352 1 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 0 1.0624945 3.6919394 -3.0322733 1 2353 1 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 0 1.5284059 4.8971176 -3.7055373 1 2354 1 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 0 1.218898 6.1068907 -2.8434522 1 2355 1 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 0 0.2740152 6.08879 -2.0537379 1 2356 1 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 0 0.865067 5.069977 -5.081357 1 2357 1 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 0 -0.63520825 5.3879967 -5.005939 1 2358 1 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 0 -1.2075987 5.9000444 -6.318507 1 2359 1 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 0 -0.6309787 6.777643 -6.951917 1 2360 1 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 0 -2.3371224 5.3335114 -6.72545 1 2361 1 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 0 2.0181613 7.1686835 -2.9900823 1 2362 1 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 0 1.7916596 8.441471 -2.3143125 1 2363 1 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 0 1.903267 9.54138 -3.3638368 1 2364 1 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 0 2.9077895 9.6061 -4.077201 1 2365 1 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 0 2.8221726 8.665924 -1.2004819 1 2366 1 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 0 2.7393045 10.019289 -0.57418895 1 2367 1 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 0 3.7934117 10.917612 -0.68572503 1 2368 1 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 0 1.6109672 10.404043 0.12728764 1 2369 1 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 0 3.710869 12.177433 -0.102915466 1 2370 1 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 0 1.5284108 11.658715 0.71122676 1 2371 1 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 0 2.5808654 12.551214 0.5951916 1 2372 1 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 0 0.8716657 10.377643 -3.4713593 1 2373 1 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 0 0.8168688 11.389406 -4.516218 1 2374 1 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 0 0.82600147 12.839397 -4.0208445 1 2375 1 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 0 0.32486197 13.732439 -4.704545 1 2376 1 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 0 -0.3998731 11.160107 -5.4091277 1 2377 1 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 0 -0.25288206 9.909128 -6.255289 1 2378 1 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 0 0.8550606 9.520315 -6.6203165 1 2379 1 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 0 -1.3681355 9.272306 -6.5828433 1 2380 1 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 0 1.4095304 13.10873 -2.8818843 1 2381 1 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 0 1.6200616 14.480727 -2.4327226 1 2382 1 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 0 0.39469108 15.236132 -1.9479837 1 2383 1 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 0 -0.61261094 14.637678 -1.5695565 1 2384 1 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 0 0.47672248 16.577763 -1.9794507 1 2385 1 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 0 -0.579342 17.444073 -1.4598914 1 2386 1 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 0 -1.556805 17.851858 -2.5606022 1 2387 1 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 0 -1.1195779 18.323444 -3.6101456 1 2388 1 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 0 0.035995148 18.688423 -0.80712247 1 2389 1 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 0 -0.984463 19.568325 -0.11633106 1 2390 1 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 0 -1.7251983 20.503334 -0.838274 1 2391 1 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 0 -1.2258334 19.459091 1.258882 1 2392 1 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 0 -2.6673474 21.297733 -0.21674657 1 2393 1 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 0 -2.1643524 20.25462 1.8887211 1 2394 1 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 0 -2.8807755 21.173233 1.1496472 1 2395 1 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 0 -3.8211215 21.956648 1.759414 1 2396 1 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 0 -2.8946314 17.785099 -2.3191028 1 2397 1 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 0 -3.4615014 17.14868 -1.1289393 1 2398 1 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 0 -3.1311977 15.671353 -1.1322846 1 2399 1 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 0 -3.1248775 15.028046 -2.1886764 1 2400 1 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 0 -4.96509 17.391747 -1.2831415 1 2401 1 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 0 -5.1621165 17.498806 -2.753749 1 2402 1 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 0 -3.9240031 18.194324 -3.270761 1 2403 1 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 0 -2.81752 15.143593 0.05276818 1 2404 1 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 0 -2.3795605 13.753574 0.1532986 1 2405 1 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 0 -3.355909 12.791493 -0.5107573 1 2406 1 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 0 -4.5609894 12.81327 -0.24050571 1 2407 1 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 0 -2.1828868 13.353516 1.6220024 1 2408 1 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 0 -0.88706344 13.836899 2.203021 1 2409 1 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 0 -0.6101336 15.182997 2.370547 1 2410 1 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 0 0.19453311 13.175661 2.656126 1 2411 1 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 0 0.5977768 15.308947 2.8986673 1 2412 1 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 0 1.1052604 14.111853 3.0795865 1 2413 1 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 0 -2.8250585 11.974113 -1.3857992 1 2414 1 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 0 -3.573155 10.926108 -2.0490522 1 2415 1 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 0 -2.7304502 9.656671 -1.9860337 1 2416 1 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 0 -1.9588397 9.355933 -2.8911996 1 2417 1 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 0 -3.8819366 11.302062 -3.504369 1 2418 1 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 0 -4.8500443 12.487663 -3.6615348 1 2419 1 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 0 -6.2725477 12.093932 -3.2728937 1 2420 1 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 0 -7.2416296 13.165431 -3.5344925 1 2421 1 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 0 -7.554627 14.124194 -2.670313 1 2422 1 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 0 -6.959917 14.169212 -1.4710423 1 2423 1 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 0 -8.43355 15.036724 -2.9853883 1 2424 1 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 0 -2.8829288 8.948009 -0.87272215 1 2425 1 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 0 -2.1273012 7.731443 -0.62481844 1 2426 1 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 0 -3.0888886 6.555997 -0.6850741 1 2427 1 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 0 -4.1523647 6.5857925 -0.04638823 1 2428 1 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 0 -1.4578481 7.8128333 0.7546612 1 2429 1 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 0 -0.49783248 6.709454 1.1979289 1 2430 1 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 0 0.45348048 7.254452 2.2636797 1 2431 1 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 0 -1.2340412 5.487477 1.7356551 1 2432 1 +ATOM N N . THR B0 2 97 . 97 THR B0 N 0 -2.7403672 5.5587716 -1.4462876 1 2433 1 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 0 -3.5962923 4.3835917 -1.5609453 1 2434 1 +ATOM C C . THR B0 2 97 . 97 THR B0 C 0 -2.758686 3.100767 -1.5494914 1 2435 1 +ATOM O O . THR B0 2 97 . 97 THR B0 O 0 -1.5972586 3.0982094 -1.9592166 1 2436 1 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 0 -4.442666 4.3929596 -2.8578491 1 2437 1 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 0 -3.5840316 4.5422964 -3.9989595 1 2438 1 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 0 -5.4650297 5.530553 -2.8395631 1 2439 1 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 0 -3.382411 2.0374088 -1.05423 1 2440 1 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 0 -2.7842178 0.7119483 -1.0778804 1 2441 1 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 0 -3.4779892 -0.11448659 -2.151787 1 2442 1 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 0 -4.646923 0.11339204 -2.4656222 1 2443 1 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 0 -2.9771466 -0.0028311235 0.26782647 1 2444 1 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 0 -2.1869333 0.5756941 1.4041004 1 2445 1 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 0 -2.7694106 1.4996504 2.2627602 1 2446 1 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 0 -0.8791294 0.17754817 1.6317337 1 2447 1 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 0 -2.0483675 2.028459 3.3179245 1 2448 1 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 0 -0.15366317 0.7043994 2.6856685 1 2449 1 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 0 -0.7388983 1.6278226 3.5313983 1 2450 1 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 0 -2.738082 -1.0793089 -2.6912782 1 2451 1 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 0 -3.3584895 -2.0356557 -3.598765 1 2452 1 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 0 -4.2282615 -2.9830918 -2.788896 1 2453 1 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 0 -4.1903343 -2.9875627 -1.5579801 1 2454 1 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 0 -5.0023537 -3.7927418 -3.4705212 1 2455 1 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 0 -5.9077215 -4.7250576 -2.805459 1 2456 1 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 0 -5.2416506 -5.892849 -2.11921 1 2457 1 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 0 -5.8804326 -6.604582 -1.3396802 1 2458 1 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 0 -3.9731498 -6.1014256 -2.3949509 1 2459 1 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 0 -3.2223625 -7.1853285 -1.7721351 1 2460 1 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 0 -3.145545 -8.443268 -2.6165812 1 2461 1 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 0 -4.0167274 -8.70264 -3.4546843 1 2462 1 +ATOM N N . THR B0 2 102 . 102 THR B0 N 0 -2.0767436 -9.195871 -2.3964155 1 2463 1 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 0 -1.8886466 -10.488686 -3.041224 1 2464 1 +ATOM C C . THR B0 2 102 . 102 THR B0 C 0 -1.5031686 -11.479315 -1.9417878 1 2465 1 +ATOM O O . THR B0 2 102 . 102 THR B0 O 0 -0.486174 -11.296016 -1.2667229 1 2466 1 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 0 -0.76310754 -10.450188 -4.0957174 1 2467 1 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 0 -1.1485251 -9.599294 -5.1804156 1 2468 1 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 0 -0.48621023 -11.860054 -4.636939 1 2469 1 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 0 -2.3270774 -12.504175 -1.7503661 1 2470 1 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 0 -2.0391579 -13.51204 -0.7442614 1 2471 1 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 0 -1.2853026 -14.667305 -1.3955035 1 2472 1 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 0 -1.7881894 -15.289002 -2.3345666 1 2473 1 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 0 -3.329887 -14.018897 -0.08925213 1 2474 1 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 0 -3.073668 -14.930515 1.103615 1 2475 1 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 0 -4.3758864 -15.290844 1.8142612 1 2476 1 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 0 -4.0878825 -16.125334 3.0611193 1 2477 1 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 0 -5.326301 -16.477879 3.7777333 1 2478 1 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 0 -0.0802961 -14.915215 -0.90685225 1 2479 1 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 0 0.7427386 -16.000072 -1.4354595 1 2480 1 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 0 0.5745591 -17.192112 -0.50831497 1 2481 1 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 0 0.94620395 -17.129791 0.6697566 1 2482 1 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 0 2.2294397 -15.594472 -1.5286522 1 2483 1 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 0 3.0574255 -16.752712 -2.0626042 1 2484 1 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 0 2.3806858 -14.357156 -2.4234858 1 2485 1 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 0 -0.009996427 -18.260918 -1.0313318 1 2486 1 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 0 -0.28805727 -19.461277 -0.2537561 1 2487 1 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 0 0.51573044 -20.651506 -0.7724315 1 2488 1 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 0 1.05603 -20.622902 -1.880167 1 2489 1 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 0 -1.7847002 -19.784327 -0.29363823 1 2490 1 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 0 -2.6532025 -18.691998 0.3040209 1 2491 1 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 0 -4.132783 -19.021198 0.26559842 1 2492 1 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 0 -4.6811547 -19.461834 1.2895925 1 2493 1 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 0 -4.747464 -18.834099 -0.8110508 1 2494 1 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 0 0.58959496 -21.69415 0.060951862 1 2495 1 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 0 1.3700442 -22.879185 -0.27056363 1 2496 1 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 0 0.561613 -23.819016 -1.1678598 1 2497 1 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 0 -0.5924072 -24.119297 -0.8751851 1 2498 1 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 0 1.7917199 -23.62742 1.006878 1 2499 1 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 0 2.534266 -22.683859 1.9575489 1 2500 1 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 0 2.6551347 -24.848389 0.6493621 1 2501 1 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 0 2.7039504 -23.240929 3.3729978 1 2502 1 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 0 1.1871908 -24.274094 -2.239901 1 2503 1 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 0 0.5424798 -25.221182 -3.1365523 1 2504 1 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 0 0.91287804 -26.641485 -2.731384 1 2505 1 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 0 2.0750484 -26.922592 -2.423974 1 2506 1 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 0 0.949684 -24.971882 -4.5974917 1 2507 1 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 0 0.20393883 -25.858688 -5.590472 1 2508 1 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 0 0.4968427 -25.455128 -7.028494 1 2509 1 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 0 -0.34928587 -26.266956 -7.9989824 1 2510 1 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 0 -0.15606335 -25.817652 -9.394272 1 2511 1 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 0 -0.07126788 -27.518066 -2.7165627 1 2512 1 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 0 0.13792816 -28.9234 -2.4072165 1 2513 1 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 0 -0.82282805 -29.740074 -3.2537882 1 2514 1 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 0 -1.6230998 -29.173317 -4.0090084 1 2515 1 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 0 -0.08104987 -29.211258 -0.9130451 1 2516 1 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 0 -1.4754784 -28.854828 -0.3866557 1 2517 1 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 0 -1.8787215 -29.752846 0.774516 1 2518 1 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 0 -2.2161407 -31.08229 0.2960358 1 2519 1 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 0 -2.1414592 -32.190742 1.0194628 1 2520 1 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 0 -1.7471607 -32.12371 2.2864919 1 2521 1 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 0 -2.4690533 -33.358833 0.48284382 1 2522 1 +ATOM N N . THR B0 2 109 . 109 THR B0 N 0 -0.774668 -31.061058 -3.1372037 1 2523 1 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 0 -1.6702763 -31.920664 -3.9027936 1 2524 1 +ATOM C C . THR B0 2 109 . 109 THR B0 C 0 -3.0913327 -31.807388 -3.3662953 1 2525 1 +ATOM O O . THR B0 2 109 . 109 THR B0 O 0 -3.3078804 -31.481855 -2.1945758 1 2526 1 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 0 -1.2168684 -33.396866 -3.8387668 1 2527 1 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 0 -1.1724124 -33.818504 -2.4704478 1 2528 1 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 0 0.15650767 -33.577534 -4.4757423 1 2529 1 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 0 -4.0509243 -32.065956 -4.2506795 1 2530 1 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 0 -5.45639 -31.991879 -3.863655 1 2531 1 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 0 -5.7470093 -33.018784 -2.7736025 1 2532 1 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 0 -5.291416 -34.15976 -2.8451395 1 2533 1 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 0 -6.3809958 -32.228813 -5.08086 1 2534 1 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 0 -7.8425097 -32.270363 -4.6523614 1 2535 1 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 0 -6.168771 -31.137447 -6.1290936 1 2536 1 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 0 -6.489089 -32.598278 -1.7654364 1 2537 1 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 0 -6.869715 -33.47901 -0.6681701 1 2538 1 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 0 -8.358261 -33.275105 -0.38514572 1 2539 1 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 0 -8.7913685 -32.15445 -0.10520089 1 2540 1 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 0 -6.0451407 -33.17675 0.5822703 1 2541 1 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 0 -9.12439 -34.355087 -0.48780715 1 2542 1 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 0 -10.561508 -34.280457 -0.23880608 1 2543 1 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 0 -10.83989 -34.139805 1.2577689 1 2544 1 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 0 -10.105864 -34.682938 2.0848856 1 2545 1 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 0 -11.2565775 -35.528046 -0.77981114 1 2546 1 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 0 -11.8972645 -33.398163 1.6159703 1 2547 1 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 0 -12.202038 -33.237457 3.0390415 1 2548 1 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 0 -12.866579 -34.47306 3.6305141 1 2549 1 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 0 -13.591501 -35.20065 2.9371576 1 2550 1 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 0 -13.175786 -32.05073 3.059236 1 2551 1 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 0 -13.8989725 -32.167133 1.7547704 1 2552 1 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 0 -12.832876 -32.61763 0.769825 1 2553 1 +ATOM N N . SER B0 2 114 . 114 SER B0 N 0 -12.60033 -34.70028 4.903287 1 2554 1 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 0 -13.3467245 -35.705345 5.6589556 1 2555 1 +ATOM C C . SER B0 2 114 . 114 SER B0 C 0 -14.519814 -34.906807 6.215678 1 2556 1 +ATOM O O . SER B0 2 114 . 114 SER B0 O 0 -14.318989 -33.837784 6.8204536 1 2557 1 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 0 -12.500883 -36.290813 6.787546 1 2558 1 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 0 -11.362297 -36.970085 6.2669535 1 2559 1 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 0 -15.7435875 -35.39235 6.004563 1 2560 1 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 0 -16.937859 -34.651115 6.3902464 1 2561 1 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 0 -17.639652 -35.289444 7.589816 1 2562 1 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 0 -17.849195 -36.502693 7.6292553 1 2563 1 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 0 -17.920471 -34.525246 5.2019053 1 2564 1 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 0 -19.107014 -33.63719 5.565954 1 2565 1 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 0 -17.203941 -33.976204 3.9690228 1 2566 1 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 0 -17.995358 -34.446114 8.561485 1 2567 1 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 0 -18.695911 -34.88952 9.763159 1 2568 1 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 0 -19.849293 -33.937325 10.040756 1 2569 1 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 0 -19.74402 -32.73881 9.775278 1 2570 1 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 0 -17.749905 -34.903694 10.978197 1 2571 1 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 0 -16.495594 -35.70541 10.7715225 1 2572 1 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 0 -15.352607 -35.113007 10.256137 1 2573 1 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 0 -16.455364 -37.048313 11.107819 1 2574 1 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 0 -14.189266 -35.849533 10.067892 1 2575 1 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 0 -15.296929 -37.789307 10.928032 1 2576 1 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 0 -14.162251 -37.1885 10.402906 1 2577 1 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 0 -20.960886 -34.482117 10.575437 1 2578 1 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 0 -22.088852 -33.62889 10.938789 1 2579 1 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 0 -22.430105 -33.864426 12.409475 1 2580 1 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 0 -22.365862 -34.99639 12.904956 1 2581 1 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 0 -23.324379 -33.88231 10.033414 1 2582 1 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 0 -24.421898 -32.84086 10.298816 1 2583 1 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 0 -23.85876 -35.3069 10.214193 1 2584 1 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 0 -25.538744 -32.83014 9.249023 1 2585 1 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 0 -22.74179 -32.786224 13.119751 1 2586 1 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 0 -23.054253 -32.86444 14.54583 1 2587 1 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 0 -24.432692 -32.272034 14.818741 1 2588 1 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 0 -24.669239 -31.102503 14.501718 1 2589 1 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 0 -22.016333 -32.090687 15.373444 1 2590 1 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 0 -20.607319 -32.574207 15.209633 1 2591 1 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 0 -19.753546 -31.982883 14.289936 1 2592 1 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 0 -20.13652 -33.61155 15.987846 1 2593 1 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 0 -18.450565 -32.427845 14.1486635 1 2594 1 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 0 -18.835049 -34.05983 15.850771 1 2595 1 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 0 -17.988642 -33.47102 14.926043 1 2596 1 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 0 -25.363 -33.065735 15.404749 1 2597 1 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 0 -26.678162 -32.51757 15.760889 1 2598 1 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 0 -26.540916 -31.544476 16.931282 1 2599 1 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 0 -25.511747 -31.542475 17.613512 1 2600 1 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 0 -27.48106 -33.75726 16.184109 1 2601 1 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 0 -26.706182 -34.930614 15.667501 1 2602 1 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 0 -25.264948 -34.488354 15.685137 1 2603 1 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 0 -27.564043 -30.71751 17.171322 1 2604 1 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 0 -27.488811 -29.8455 18.348427 1 2605 1 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 0 -27.531967 -30.697004 19.61333 1 2606 1 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 0 -28.149433 -31.77008 19.631268 1 2607 1 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 0 -28.742258 -28.960346 18.225021 1 2608 1 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 0 -29.67976 -29.749996 17.378672 1 2609 1 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 0 -28.804482 -30.49603 16.407127 1 2610 1 +ATOM N N . SER B0 2 121 . 121 SER B0 N 0 -26.86088 -30.224089 20.664341 1 2611 1 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 0 -26.869503 -30.957373 21.923983 1 2612 1 +ATOM C C . SER B0 2 121 . 121 SER B0 C 0 -28.197075 -30.759022 22.640038 1 2613 1 +ATOM O O . SER B0 2 121 . 121 SER B0 O 0 -28.886087 -29.754454 22.434334 1 2614 1 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 0 -25.728033 -30.469818 22.826885 1 2615 1 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 0 -25.949688 -29.123573 23.217123 1 2616 1 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 0 -28.545729 -31.717747 23.470188 1 2617 1 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 0 -29.773136 -31.588606 24.25864 1 2618 1 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 0 -29.670803 -30.37867 25.180517 1 2619 1 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 0 -30.66998 -29.703476 25.43259 1 2620 1 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 0 -30.015266 -32.855034 25.084902 1 2621 1 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 0 -30.446663 -34.0322 24.228514 1 2622 1 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 0 -31.035345 -33.80709 23.155628 1 2623 1 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 0 -30.194637 -35.18564 24.639668 1 2624 1 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 0 -28.461939 -30.106712 25.665268 1 2625 1 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 0 -28.23743 -28.96415 26.541908 1 2626 1 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 0 -28.584024 -27.65803 25.83537 1 2627 1 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 0 -29.222277 -26.77565 26.409016 1 2628 1 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 0 -26.779373 -28.940659 27.020128 1 2629 1 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 0 -26.47514 -27.780083 27.96582 1 2630 1 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 0 -25.030727 -27.747759 28.420197 1 2631 1 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 0 -24.260912 -28.660526 28.05647 1 2632 1 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 0 -24.650301 -26.797533 29.139778 1 2633 1 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 0 -28.160742 -27.52235 24.570942 1 2634 1 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 0 -28.4539 -26.295301 23.837774 1 2635 1 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 0 -29.94429 -26.166395 23.555077 1 2636 1 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 0 -30.497213 -25.070393 23.633602 1 2637 1 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 0 -27.678322 -26.235558 22.51693 1 2638 1 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 0 -27.92685 -24.918028 21.7934 1 2639 1 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 0 -27.361458 -24.852938 20.3979 1 2640 1 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 0 -27.182438 -25.885902 19.748066 1 2641 1 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 0 -27.094913 -23.646233 19.920065 1 2642 1 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 0 -30.59275 -27.271385 23.221186 1 2643 1 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 0 -32.010654 -27.230091 22.899263 1 2644 1 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 0 -32.841217 -26.677738 24.053951 1 2645 1 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 0 -33.878517 -26.046658 23.821505 1 2646 1 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 0 -32.51305 -28.624731 22.505259 1 2647 1 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 0 -32.020683 -29.123127 21.145763 1 2648 1 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 0 -32.430355 -30.579302 20.930233 1 2649 1 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 0 -32.559486 -28.238739 20.026253 1 2650 1 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 0 -32.387672 -26.895304 25.292522 1 2651 1 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 0 -33.087772 -26.363808 26.454746 1 2652 1 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 0 -33.09563 -24.843729 26.463446 1 2653 1 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 0 -33.979507 -24.230759 27.062393 1 2654 1 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 0 -32.450577 -26.878462 27.751621 1 2655 1 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 0 -32.609344 -28.36533 27.969906 1 2656 1 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 0 -31.949305 -28.779457 29.27824 1 2657 1 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 0 -32.08954 -30.26992 29.51058 1 2658 1 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 0 -31.44162 -30.695465 30.776985 1 2659 1 +ATOM N N . SER B0 2 127 . 127 SER B0 N 0 -32.12683 -24.230982 25.76739 1 2660 1 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 0 -32.027737 -22.775852 25.721195 1 2661 1 +ATOM C C . SER B0 2 127 . 127 SER B0 C 0 -32.876717 -22.170988 24.607239 1 2662 1 +ATOM O O . SER B0 2 127 . 127 SER B0 O 0 -32.971603 -20.946062 24.500488 1 2663 1 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 0 -30.57793 -22.346169 25.556065 1 2664 1 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 0 -30.096527 -22.67833 24.27297 1 2665 1 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 0 -33.506893 -23.010963 23.78439 1 2666 1 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 0 -34.396446 -22.53595 22.739452 1 2667 1 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 0 -33.79332 -22.374023 21.363892 1 2668 1 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 0 -34.47895 -21.904953 20.44881 1 2669 1 +ATOM N N . THR B0 2 129 . 129 THR B0 N 0 -32.538765 -22.762058 21.182545 1 2670 1 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 0 -31.881271 -22.65002 19.885183 1 2671 1 +ATOM C C . THR B0 2 129 . 129 THR B0 C 0 -31.201397 -23.961124 19.523554 1 2672 1 +ATOM O O . THR B0 2 129 . 129 THR B0 O 0 -30.797134 -24.709959 20.406971 1 2673 1 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 0 -30.850998 -21.51127 19.88654 1 2674 1 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 0 -31.507214 -20.289742 20.218304 1 2675 1 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 0 -30.192766 -21.35608 18.517544 1 2676 1 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 0 -31.083626 -24.215256 18.217075 1 2677 1 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 0 -30.435183 -25.426617 17.742653 1 2678 1 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 0 -29.348385 -25.055916 16.739107 1 2679 1 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 0 -29.626621 -24.385391 15.738444 1 2680 1 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 0 -31.456444 -26.35661 17.09161 1 2681 1 +ATOM N N . SER B0 2 131 . 131 SER B0 N 0 -28.107824 -25.486252 17.018568 1 2682 1 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 0 -26.992964 -25.273024 16.106972 1 2683 1 +ATOM C C . SER B0 2 131 . 131 SER B0 C 0 -26.550013 -26.628115 15.568478 1 2684 1 +ATOM O O . SER B0 2 131 . 131 SER B0 O 0 -26.231186 -27.525043 16.344635 1 2685 1 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 0 -25.82156 -24.595968 16.816532 1 2686 1 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 0 -26.158129 -23.290379 17.255634 1 2687 1 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 0 -26.580303 -26.749268 14.247566 1 2688 1 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 0 -26.127598 -27.9796 13.608075 1 2689 1 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 0 -24.789852 -27.643055 12.957955 1 2690 1 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 0 -24.681976 -26.641735 12.232355 1 2691 1 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 0 -27.127724 -28.471191 12.535213 1 2692 1 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 0 -26.788673 -29.892677 12.112427 1 2693 1 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 0 -28.567394 -28.405308 13.069017 1 2694 1 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 0 -23.772343 -28.46001 13.228448 1 2695 1 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 0 -22.430729 -28.163837 12.744879 1 2696 1 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 0 -21.955976 -29.20084 11.730476 1 2697 1 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 0 -22.080564 -30.407675 11.959294 1 2698 1 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 0 -21.42807 -28.07568 13.913319 1 2699 1 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 0 -20.006788 -27.852116 13.392672 1 2700 1 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 0 -21.832226 -26.952366 14.865919 1 2701 1 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 0 -21.414467 -28.691513 10.612077 1 2702 1 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 0 -20.825562 -29.551903 9.590449 1 2703 1 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 0 -19.337257 -29.232178 9.546234 1 2704 1 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 0 -18.951826 -28.060966 9.441382 1 2705 1 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 0 -21.464214 -29.291086 8.229301 1 2706 1 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 0 -20.950508 -30.41905 6.938817 1 2707 1 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 0 -18.498024 -30.260849 9.655096 1 2708 1 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 0 -17.046421 -30.095219 9.655827 1 2709 1 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 0 -16.438816 -30.698433 8.393199 1 2710 1 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 0 -16.718529 -31.85743 8.060394 1 2711 1 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 0 -16.440578 -30.77132 10.893105 1 2712 1 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 0 -14.913776 -30.951466 10.89851 1 2713 1 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 0 -14.489808 -31.838842 12.06341 1 2714 1 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 0 -14.201933 -29.600655 10.962368 1 2715 1 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 0 -15.625905 -29.900452 7.6998167 1 2716 1 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 0 -14.862446 -30.364986 6.5448723 1 2717 1 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 0 -13.4133415 -30.319048 6.996271 1 2718 1 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 0 -12.877007 -29.223694 7.2393923 1 2719 1 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 0 -15.06348 -29.430119 5.3489165 1 2720 1 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 0 -16.367222 -29.49503 4.5625186 1 2721 1 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 0 -17.558525 -29.095676 5.4138794 1 2722 1 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 0 -16.279526 -28.616005 3.32318 1 2723 1 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 0 -12.802085 -31.474346 7.146417 1 2724 1 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 0 -11.473512 -31.538158 7.743152 1 2725 1 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 0 -10.338013 -31.8434 6.772623 1 2726 1 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 0 -10.443116 -32.77036 5.9536924 1 2727 1 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 0 -11.468315 -32.586304 8.859858 1 2728 1 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 0 -10.441475 -32.306114 9.931119 1 2729 1 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 0 -10.353849 -31.18159 10.442556 1 2730 1 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 0 -9.687428 -33.303997 10.299206 1 2731 1 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 0 -9.268389 -31.061495 6.871558 1 2732 1 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 0 -8.004959 -31.26779 6.1845694 1 2733 1 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 0 -8.138955 -31.459347 4.674202 1 2734 1 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 0 -7.866153 -32.533936 4.1397915 1 2735 1 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 0 -7.2422657 -32.4394 6.8160686 1 2736 1 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 0 -6.9154615 -32.198288 8.273899 1 2737 1 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 0 -7.4157457 -32.893654 9.164321 1 2738 1 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 0 -6.079718 -31.207436 8.534006 1 2739 1 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 0 -8.513965 -30.385849 3.9922523 1 2740 1 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 0 -8.668597 -30.434288 2.5447192 1 2741 1 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 0 -7.8231535 -29.378754 1.8367927 1 2742 1 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 0 -7.309497 -28.4486 2.459904 1 2743 1 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 0 -10.147568 -30.274597 2.1439679 1 2744 1 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 0 -10.771412 -28.980392 2.5930328 1 2745 1 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 0 -11.386848 -28.88638 3.8338885 1 2746 1 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 0 -10.759302 -27.866241 1.768224 1 2747 1 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 0 -11.977568 -27.691021 4.242807 1 2748 1 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 0 -11.347765 -26.677227 2.1737986 1 2749 1 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 0 -11.959542 -26.586166 3.408338 1 2750 1 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 0 -7.663184 -29.550983 0.5393914 1 2751 1 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 0 -6.9494743 -28.623661 -0.33684796 1 2752 1 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 0 -7.409938 -28.852957 -1.7611408 1 2753 1 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 0 -7.5372124 -30.000465 -2.1746829 1 2754 1 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 0 -5.4275627 -28.826038 -0.23255566 1 2755 1 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 0 -4.6656976 -27.779932 -1.0128454 1 2756 1 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 0 -4.4110355 -27.947649 -2.3777156 1 2757 1 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 0 -4.2503834 -26.596146 -0.40818557 1 2758 1 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 0 -3.774163 -26.971638 -3.1072116 1 2759 1 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 0 -3.6050444 -25.61319 -1.1421819 1 2760 1 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 0 -3.3685968 -25.802807 -2.4871066 1 2761 1 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 0 -2.7497165 -24.83683 -3.2024992 1 2762 1 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 0 -7.6737537 -27.795126 -2.5239825 1 2763 1 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 0 -7.532401 -26.371494 -2.2143085 1 2764 1 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 0 -8.637552 -25.832237 -1.3177768 1 2765 1 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 0 -9.545416 -26.578947 -0.92853177 1 2766 1 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 0 -7.5798864 -25.730637 -3.609065 1 2767 1 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 0 -8.437119 -26.648869 -4.403536 1 2768 1 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 0 -8.074124 -28.031706 -3.9164023 1 2769 1 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 0 -8.54471 -24.562346 -0.9739382 1 2770 1 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 0 -9.440747 -23.930199 -0.013924735 1 2771 1 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 0 -10.892581 -23.866978 -0.4754188 1 2772 1 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 0 -11.810002 -23.927738 0.34697732 1 2773 1 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 0 -8.932468 -22.52071 0.2926864 1 2774 1 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 0 -9.653481 -21.811003 1.4210057 1 2775 1 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 0 -8.9945545 -20.463089 1.6652665 1 2776 1 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 0 -9.446013 -19.80838 2.8836775 1 2777 1 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 0 -10.49347 -18.992641 2.9374897 1 2778 1 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 0 -11.198345 -18.725327 1.8374804 1 2779 1 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 0 -10.845532 -18.438557 4.0863605 1 2780 1 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 0 -11.102832 -23.777763 -1.8016596 1 2781 1 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 0 -12.450076 -23.635925 -2.3499162 1 2782 1 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 0 -13.284639 -24.872963 -2.0680356 1 2783 1 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 0 -12.914936 -25.98808 -2.4528828 1 2784 1 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 0 -12.403801 -23.369892 -3.8574743 1 2785 1 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 0 -11.84827 -22.002811 -4.232703 1 2786 1 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 0 -10.358283 -21.869316 -4.019018 1 2787 1 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 0 -9.903418 -20.73963 -3.7462535 1 2788 1 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 0 -9.63303 -22.87946 -4.111761 1 2789 1 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 0 -14.392542 -24.680523 -1.3857198 1 2790 1 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 0 -15.320898 -25.759146 -1.0612807 1 2791 1 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 0 -16.717571 -25.172098 -0.9387645 1 2792 1 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 0 -16.875927 -24.002369 -0.5986109 1 2793 1 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 0 -14.930754 -26.455582 0.2474361 1 2794 1 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 0 -17.716084 -26.002958 -1.2508082 1 2795 1 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 0 -19.099348 -25.551334 -1.1711514 1 2796 1 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 0 -19.8655 -26.422342 -0.18870062 1 2797 1 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 0 -19.803627 -27.651852 -0.27048525 1 2798 1 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 0 -19.767546 -25.611 -2.55423 1 2799 1 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 0 -21.219048 -25.154732 -2.5672843 1 2800 1 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 0 -21.793678 -25.255138 -3.9788735 1 2801 1 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 0 -23.25625 -24.823368 -4.0127435 1 2802 1 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 0 -23.815437 -24.937725 -5.3721 1 2803 1 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 0 -20.559208 -25.768404 0.74505746 1 2804 1 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 0 -21.365883 -26.475912 1.7332045 1 2805 1 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 0 -22.814753 -26.032269 1.569027 1 2806 1 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 0 -23.110699 -24.835976 1.5882502 1 2807 1 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 0 -20.897472 -26.181828 3.1773071 1 2808 1 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 0 -21.802332 -26.903141 4.179274 1 2809 1 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 0 -19.444794 -26.600676 3.3674989 1 2810 1 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 0 -23.698421 -26.999908 1.3825506 1 2811 1 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 0 -25.118816 -26.700792 1.2673779 1 2812 1 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 0 -25.876602 -27.45263 2.353246 1 2813 1 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 0 -25.637453 -28.648209 2.5587523 1 2814 1 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 0 -25.661959 -27.093458 -0.10567817 1 2815 1 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 0 -25.245285 -26.16705 -1.2229868 1 2816 1 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 0 -26.01699 -26.436512 -2.500934 1 2817 1 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 0 -26.03997 -27.569769 -2.9890983 1 2818 1 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 0 -26.659224 -25.408907 -3.0389242 1 2819 1 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 0 -26.763016 -26.753677 3.0161881 1 2820 1 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 0 -27.57917 -27.358688 4.0504174 1 2821 1 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 0 -28.948788 -27.715212 3.4841924 1 2822 1 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 0 -29.550226 -26.935442 2.7340991 1 2823 1 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 0 -27.746653 -26.403751 5.241428 1 2824 1 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 0 -26.552452 -26.317116 6.1341863 1 2825 1 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 0 -25.610706 -25.341766 6.142511 1 2826 1 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 0 -26.181393 -27.239367 7.159925 1 2827 1 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 0 -24.669352 -25.588173 7.115056 1 2828 1 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 0 -24.99848 -26.745869 7.7525873 1 2829 1 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 0 -26.736637 -28.432503 7.636462 1 2830 1 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 0 -24.35567 -27.411955 8.796544 1 2831 1 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 0 -26.09676 -29.091711 8.672166 1 2832 1 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 0 -24.919998 -28.581997 9.241016 1 2833 1 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 0 -29.422413 -28.892948 3.844615 1 2834 1 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 0 -30.751312 -29.34665 3.4338546 1 2835 1 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 0 -31.517122 -29.80461 4.6691823 1 2836 1 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 0 -30.998934 -30.599922 5.4568577 1 2837 1 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 0 -30.66098 -30.500849 2.4264154 1 2838 1 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 0 -30.043127 -30.115612 1.0947995 1 2839 1 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 0 -29.965979 -31.3461 0.17514727 1 2840 1 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 0 -29.344053 -30.979504 -1.1617937 1 2841 1 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 0 -29.204258 -32.172573 -2.0323267 1 2842 1 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 0 -32.726402 -29.290127 4.8150597 1 2843 1 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 0 -33.592472 -29.688145 5.922514 1 2844 1 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 0 -34.841522 -30.284481 5.288327 1 2845 1 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 0 -35.610832 -29.584072 4.624674 1 2846 1 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 0 -33.95538 -28.481548 6.814871 1 2847 1 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 0 -34.905743 -28.927666 7.9287777 1 2848 1 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 0 -32.6942 -27.857376 7.4048805 1 2849 1 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 0 -35.029236 -31.600983 5.463789 1 2850 1 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 0 -36.094933 -32.34623 4.7961082 1 2851 1 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 0 -36.062862 -32.043854 3.2973082 1 2852 1 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 0 -37.088966 -31.76694 2.6693606 1 2853 1 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 0 -37.470512 -32.005413 5.393054 1 2854 1 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 0 -37.693687 -32.653793 6.7511134 1 2855 1 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 0 -36.974586 -33.621315 7.081792 1 2856 1 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 0 -38.58215 -32.19242 7.495252 1 2857 1 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 0 -34.85553 -32.06688 2.7561631 1 2858 1 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 0 -34.559258 -31.864119 1.3402905 1 2859 1 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 0 -34.776207 -30.437565 0.83680415 1 2860 1 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 0 -34.659058 -30.192036 -0.37211972 1 2861 1 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 0 -35.345863 -32.84205 0.46446085 1 2862 1 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 0 -34.89881 -34.27648 0.65576494 1 2863 1 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 0 -33.697884 -34.550373 0.6995429 1 2864 1 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 0 -35.855873 -35.192482 0.7803108 1 2865 1 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 0 -35.05198 -29.510563 1.7256786 1 2866 1 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 0 -35.21864 -28.109783 1.3432192 1 2867 1 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 0 -33.88881 -27.376492 1.5415766 1 2868 1 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 0 -33.33718 -27.360046 2.6426878 1 2869 1 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 0 -36.31115 -27.45212 2.1625378 1 2870 1 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 0 -33.369175 -26.777378 0.4619428 1 2871 1 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 0 -32.104385 -26.04699 0.5309545 1 2872 1 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 0 -32.246685 -24.827087 1.4390769 1 2873 1 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 0 -33.222637 -24.07896 1.3420906 1 2874 1 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 0 -31.669594 -25.603386 -0.86987007 1 2875 1 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 0 -31.225288 -26.711529 -1.8240683 1 2876 1 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 0 -30.973421 -26.140484 -3.21699 1 2877 1 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 0 -29.973106 -27.392242 -1.2994597 1 2878 1 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 0 -31.259861 -24.64864 2.2906113 1 2879 1 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 0 -31.273647 -23.541462 3.236208 1 2880 1 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 0 -30.480206 -22.35699 2.7066624 1 2881 1 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 0 -29.5331 -22.525654 1.9218581 1 2882 1 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 0 -30.697659 -23.965218 4.584878 1 2883 1 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 0 -31.408804 -25.165249 5.1757174 1 2884 1 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 0 -32.848366 -24.85342 5.5324316 1 2885 1 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 0 -33.12353 -24.01632 6.370493 1 2886 1 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 0 -33.790627 -25.498295 4.8649216 1 2887 1 +ATOM N N . SER B0 2 156 . 156 SER B0 N 0 -30.872822 -21.165478 3.135254 1 2888 1 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 0 -30.138153 -19.962044 2.7759767 1 2889 1 +ATOM C C . SER B0 2 156 . 156 SER B0 C 0 -30.311756 -18.915857 3.8734767 1 2890 1 +ATOM O O . SER B0 2 156 . 156 SER B0 O 0 -31.397625 -18.78447 4.4455047 1 2891 1 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 0 -30.620531 -19.407272 1.4302874 1 2892 1 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 0 -31.966816 -18.970686 1.5052092 1 2893 1 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 0 -29.24055 -18.210312 4.1667223 1 2894 1 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 0 -29.278687 -17.13428 5.140312 1 2895 1 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 0 -29.289846 -17.537842 6.595785 1 2896 1 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 0 -29.381006 -16.666393 7.466839 1 2897 1 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 0 -29.190483 -18.818022 6.87251 1 2898 1 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 0 -29.219719 -19.267887 8.265298 1 2899 1 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 0 -28.005669 -20.099165 8.664818 1 2900 1 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 0 -28.063343 -20.885517 9.60726 1 2901 1 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 0 -30.510614 -20.047028 8.562632 1 2902 1 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 0 -30.747362 -21.202251 7.602092 1 2903 1 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 0 -29.965675 -21.434093 6.6731424 1 2904 1 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 0 -31.835566 -21.935558 7.8095064 1 2905 1 +ATOM N N . SER B0 2 159 . 159 SER B0 N 0 -26.915007 -19.90726 7.942109 1 2906 1 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 0 -25.682978 -20.610443 8.285709 1 2907 1 +ATOM C C . SER B0 2 159 . 159 SER B0 C 0 -24.48275 -19.684177 8.133989 1 2908 1 +ATOM O O . SER B0 2 159 . 159 SER B0 O 0 -24.531618 -18.698223 7.3917074 1 2909 1 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 0 -25.49975 -21.857246 7.412188 1 2910 1 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 0 -25.344166 -21.522284 6.0506268 1 2911 1 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 0 -23.430637 -19.998032 8.866116 1 2912 1 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 0 -22.19682 -19.22607 8.80755 1 2913 1 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 0 -21.007051 -20.171408 8.745597 1 2914 1 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 0 -21.003613 -21.210808 9.410173 1 2915 1 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 0 -22.065119 -18.306126 10.024088 1 2916 1 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 0 -23.039597 -17.14288 10.027641 1 2917 1 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 0 -22.758766 -16.17627 11.163078 1 2918 1 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 0 -23.014221 -16.4837 12.324808 1 2919 1 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 0 -22.202225 -15.016922 10.834562 1 2920 1 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 0 -20.005749 -19.78963 7.940648 1 2921 1 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 0 -18.799854 -20.59784 7.786811 1 2922 1 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 0 -17.588446 -19.927761 8.417658 1 2923 1 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 0 -17.522812 -18.703714 8.513151 1 2924 1 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 0 -18.494904 -20.834023 6.2972846 1 2925 1 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 0 -19.469177 -21.762703 5.6011214 1 2926 1 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 0 -19.067911 -22.044485 4.1580334 1 2927 1 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 0 -19.750843 -22.853275 3.4965754 1 2928 1 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 0 -18.066017 -21.467014 3.6743684 1 2929 1 +ATOM N N . SER B0 2 162 . 162 SER B0 N 0 -16.642467 -20.75895 8.812983 1 2930 1 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 0 -15.369268 -20.27446 9.326614 1 2931 1 +ATOM C C . SER B0 2 162 . 162 SER B0 C 0 -14.298981 -21.235731 8.824836 1 2932 1 +ATOM O O . SER B0 2 162 . 162 SER B0 O 0 -14.507536 -22.453737 8.832582 1 2933 1 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 0 -15.379427 -20.232674 10.85638 1 2934 1 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 0 -14.166304 -19.680779 11.356323 1 2935 1 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 0 -13.183127 -20.686914 8.359503 1 2936 1 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 0 -12.109627 -21.510017 7.80972 1 2937 1 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 0 -10.808353 -21.234888 8.558237 1 2938 1 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 0 -10.495339 -20.080303 8.867287 1 2939 1 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 0 -11.908754 -21.226479 6.3028665 1 2940 1 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 0 -10.912291 -22.201706 5.6947412 1 2941 1 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 0 -13.239762 -21.310305 5.5658917 1 2942 1 +ATOM N N . THR B0 2 164 . 164 THR B0 N 0 -10.057111 -22.288998 8.818222 1 2943 1 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 0 -8.77272 -22.13358 9.490031 1 2944 1 +ATOM C C . THR B0 2 164 . 164 THR B0 C 0 -7.7409935 -21.566555 8.52115 1 2945 1 +ATOM O O . THR B0 2 164 . 164 THR B0 O 0 -7.9247794 -21.592648 7.301791 1 2946 1 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 0 -8.237685 -23.485157 10.0008545 1 2947 1 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 0 -8.105314 -24.389809 8.895773 1 2948 1 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 0 -9.154066 -24.087147 11.050211 1 2949 1 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 0 -6.63745 -21.06163 9.0732355 1 2950 1 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 0 -5.508036 -20.665432 8.259983 1 2951 1 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 0 -4.8790426 -21.946392 7.718384 1 2952 1 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 0 -5.0724754 -23.027294 8.281477 1 2953 1 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 0 -4.4795446 -19.89257 9.0977 1 2954 1 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 0 -4.9282703 -18.487686 9.498829 1 2955 1 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 0 -5.0710096 -17.567768 8.309073 1 2956 1 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 0 -6.081536 -16.846733 8.240438 1 2957 1 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 0 -4.176061 -17.567696 7.4369144 1 2958 1 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 0 -4.154496 -21.816313 6.634988 1 2959 1 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 0 -3.510508 -22.981071 6.039212 1 2960 1 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 0 -2.568903 -23.630562 7.0546184 1 2961 1 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 0 -1.7566093 -22.954838 7.6904163 1 2962 1 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 0 -2.74175 -22.564188 4.7846127 1 2963 1 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 0 -2.3015494 -23.731274 3.9265919 1 2964 1 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 0 -1.7380227 -23.290768 2.5911882 1 2965 1 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 0 -1.1622176 -22.207048 2.4703407 1 2966 1 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 0 -1.908294 -24.123032 1.5710092 1 2967 1 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 0 -2.6964264 -24.945536 7.219267 1 2968 1 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 0 -1.8831804 -25.674091 8.1998 1 2969 1 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 0 -0.39777854 -25.542488 7.8643036 1 2970 1 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 0 -0.0016502194 -25.68463 6.699909 1 2971 1 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 0 -2.2863965 -27.150085 8.217241 1 2972 1 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 0 -1.5769314 -27.938417 9.294918 1 2973 1 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 0 -0.53983283 -28.56847 9.002519 1 2974 1 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 0 -2.061632 -27.91922 10.448261 1 2975 1 +ATOM N N . SER B0 2 168 . 168 SER B0 N 0 0.41440994 -25.24769 8.863885 1 2976 1 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 0 1.8345631 -25.024967 8.671142 1 2977 1 +ATOM C C . SER B0 2 168 . 168 SER B0 C 0 2.608335 -26.29634 8.3178215 1 2978 1 +ATOM O O . SER B0 2 168 . 168 SER B0 O 0 3.7319295 -26.20261 7.818308 1 2979 1 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 0 2.4429958 -24.391361 9.923068 1 2980 1 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 0 2.3348038 -25.256832 11.034544 1 2981 1 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 0 2.034235 -27.468819 8.575444 1 2982 1 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 0 2.7297227 -28.71873 8.3113785 1 2983 1 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 0 2.2337775 -29.440472 7.0636897 1 2984 1 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 0 3.039646 -29.821596 6.2134037 1 2985 1 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 0 2.6430357 -29.643694 9.530472 1 2986 1 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 0 3.371635 -29.090397 10.750672 1 2987 1 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 0 3.2934825 -30.044981 11.933054 1 2988 1 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 0 4.0308995 -29.462769 13.137749 1 2989 1 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 0 3.95998 -30.366486 14.303188 1 2990 1 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 0 0.900239 -29.629032 6.93081 1 2991 1 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 0 0.39435515 -30.34708 5.7662 1 2992 1 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 0 -0.28065652 -29.438316 4.7366652 1 2993 1 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 0 -0.7547677 -29.9304 3.7073684 1 2994 1 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 0 -0.53517836 -31.494524 6.179578 1 2995 1 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 0 -1.8559959 -31.046638 6.786687 1 2996 1 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 0 -2.1749644 -29.840994 6.730034 1 2997 1 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 0 -2.5796318 -31.921253 7.3150654 1 2998 1 +ATOM N N . SER B0 2 171 . 171 SER B0 N 0 -0.30210197 -28.141317 4.989911 1 2999 1 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 0 -0.81700337 -27.128815 4.066106 1 3000 1 +ATOM C C . SER B0 2 171 . 171 SER B0 C 0 -2.2929776 -27.291119 3.7015076 1 3001 1 +ATOM O O . SER B0 2 171 . 171 SER B0 O 0 -2.727553 -26.82022 2.6489267 1 3002 1 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 0 0.03360925 -27.08008 2.7890613 1 3003 1 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 0 1.402681 -26.869421 3.0949564 1 3004 1 +ATOM N N . THR B0 2 172 . 172 THR B0 N 0 -3.0724187 -27.947205 4.557897 1 3005 1 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 0 -4.498346 -28.121218 4.3060303 1 3006 1 +ATOM C C . THR B0 2 172 . 172 THR B0 C 0 -5.320074 -27.084595 5.0702777 1 3007 1 +ATOM O O . THR B0 2 172 . 172 THR B0 O 0 -4.799733 -26.350473 5.9154644 1 3008 1 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 0 -4.993125 -29.531841 4.7138453 1 3009 1 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 0 -4.812108 -29.70396 6.1219797 1 3010 1 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 0 -4.260103 -30.620552 3.9494698 1 3011 1 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 0 -6.6115303 -27.050846 4.742976 1 3012 1 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 0 -7.573514 -26.184317 5.412759 1 3013 1 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 0 -8.642172 -27.038258 6.0724316 1 3014 1 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 0 -8.856264 -28.192787 5.690009 1 3015 1 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 0 -8.265059 -25.243042 4.409883 1 3016 1 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 0 -7.337018 -24.29739 3.6933198 1 3017 1 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 0 -6.757892 -24.64357 2.4783442 1 3018 1 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 0 -7.043407 -23.051863 4.228841 1 3019 1 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 0 -5.908057 -23.778309 1.8182876 1 3020 1 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 0 -6.1947317 -22.175137 3.572371 1 3021 1 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 0 -5.632883 -22.548233 2.3674078 1 3022 1 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 0 -4.796962 -21.693504 1.7180483 1 3023 1 +ATOM N N . SER B0 2 174 . 174 SER B0 N 0 -9.31192 -26.469095 7.0394797 1 3024 1 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 0 -10.490425 -27.090427 7.6413383 1 3025 1 +ATOM C C . SER B0 2 174 . 174 SER B0 C 0 -11.564905 -26.014582 7.7086306 1 3026 1 +ATOM O O . SER B0 2 174 . 174 SER B0 O 0 -11.260387 -24.824657 7.839321 1 3027 1 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 0 -10.185381 -27.648525 9.029964 1 3028 1 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 0 -9.321138 -28.777489 8.93518 1 3029 1 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 0 -12.821111 -26.447166 7.5983143 1 3030 1 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 0 -13.929739 -25.50042 7.5553536 1 3031 1 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 0 -15.078571 -25.990585 8.415434 1 3032 1 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 0 -15.3611965 -27.197552 8.454899 1 3033 1 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 0 -14.394562 -25.326387 6.1053567 1 3034 1 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 0 -15.575486 -24.419918 5.7795553 1 3035 1 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 0 -15.444557 -23.878738 4.3535147 1 3036 1 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 0 -16.921417 -25.14036 5.938905 1 3037 1 +ATOM N N . SER B0 2 176 . 176 SER B0 N 0 -15.724802 -25.052427 9.098905 1 3038 1 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 0 -16.92608 -25.375166 9.850603 1 3039 1 +ATOM C C . SER B0 2 176 . 176 SER B0 C 0 -18.075588 -24.562359 9.282883 1 3040 1 +ATOM O O . SER B0 2 176 . 176 SER B0 O 0 -17.908688 -23.408524 8.878833 1 3041 1 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 0 -16.765682 -25.059494 11.343887 1 3042 1 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 0 -16.808102 -23.670013 11.575577 1 3043 1 +ATOM N N . SER B0 2 177 . 177 SER B0 N 0 -19.236197 -25.188292 9.202875 1 3044 1 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 0 -20.45393 -24.494797 8.793005 1 3045 1 +ATOM C C . SER B0 2 177 . 177 SER B0 C 0 -21.484297 -24.775064 9.874592 1 3046 1 +ATOM O O . SER B0 2 177 . 177 SER B0 O 0 -21.72236 -25.935507 10.223563 1 3047 1 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 0 -20.954393 -24.993359 7.437434 1 3048 1 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 0 -22.144417 -24.303516 7.0549603 1 3049 1 +ATOM N N . THR B0 2 178 . 178 THR B0 N 0 -22.066948 -23.71737 10.407186 1 3050 1 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 0 -23.045471 -23.869766 11.475149 1 3051 1 +ATOM C C . THR B0 2 178 . 178 THR B0 C 0 -24.414566 -23.384691 11.005829 1 3052 1 +ATOM O O . THR B0 2 178 . 178 THR B0 O 0 -24.578989 -22.222916 10.631615 1 3053 1 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 0 -22.62669 -23.08636 12.734813 1 3054 1 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 0 -21.347149 -23.55407 13.166119 1 3055 1 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 0 -23.637875 -23.287888 13.865365 1 3056 1 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 0 -25.38149 -24.299366 11.036161 1 3057 1 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 0 -26.76533 -23.986557 10.690384 1 3058 1 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 0 -27.484907 -23.6691 11.992481 1 3059 1 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 0 -27.43592 -24.46745 12.935629 1 3060 1 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 0 -27.431046 -25.184692 10.007376 1 3061 1 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 0 -28.925743 -25.049263 9.670641 1 3062 1 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 0 -29.520464 -26.41945 9.332212 1 3063 1 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 0 -29.11707 -24.081636 8.507427 1 3064 1 +ATOM N N . THR B0 2 180 . 180 THR B0 N 0 -28.118164 -22.506918 12.058476 1 3065 1 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 0 -28.805302 -22.111092 13.283756 1 3066 1 +ATOM C C . THR B0 2 180 . 180 THR B0 C 0 -30.30899 -21.987427 13.053666 1 3067 1 +ATOM O O . THR B0 2 180 . 180 THR B0 O 0 -30.755083 -21.306969 12.130331 1 3068 1 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 0 -28.253763 -20.778797 13.824294 1 3069 1 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 0 -26.8522 -20.919613 14.070493 1 3070 1 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 0 -28.956024 -20.38018 15.120723 1 3071 1 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 0 -31.084627 -22.662954 13.906229 1 3072 1 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 0 -32.543476 -22.633001 13.8634 1 3073 1 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 0 -33.077515 -22.454357 15.275512 1 3074 1 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 0 -32.385307 -22.766626 16.248829 1 3075 1 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 0 -33.10694 -23.937029 13.297232 1 3076 1 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 0 -32.670696 -24.396334 11.911596 1 3077 1 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 0 -33.196693 -25.804787 11.65045 1 3078 1 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 0 -33.156677 -23.428955 10.851882 1 3079 1 +ATOM N N . SER B0 2 182 . 182 SER B0 N 0 -34.310555 -21.973164 15.369247 1 3080 1 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 0 -34.94343 -21.929783 16.680464 1 3081 1 +ATOM C C . SER B0 2 182 . 182 SER B0 C 0 -35.279003 -23.36642 17.057247 1 3082 1 +ATOM O O . SER B0 2 182 . 182 SER B0 O 0 -35.39061 -24.238052 16.184425 1 3083 1 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 0 -36.224106 -21.084545 16.642467 1 3084 1 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 0 -37.20898 -21.712101 15.838009 1 3085 1 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 0 -35.444336 -23.6264 18.338455 1 3086 1 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 0 -35.797295 -24.976334 18.76767 1 3087 1 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 0 -37.10004 -25.412704 18.110764 1 3088 1 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 0 -37.22778 -26.554213 17.65451 1 3089 1 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 0 -35.941643 -25.031439 20.292332 1 3090 1 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 0 -36.416874 -26.377705 20.81904 1 3091 1 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 0 -36.6473 -26.323565 22.327065 1 3092 1 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 0 -37.188377 -27.653038 22.848732 1 3093 1 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 0 -37.42437 -27.61424 24.315067 1 3094 1 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 0 -38.063892 -24.484499 18.047308 1 3095 1 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 0 -39.364407 -24.784393 17.449524 1 3096 1 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 0 -39.230446 -25.194427 15.984801 1 3097 1 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 0 -39.832104 -26.182909 15.557064 1 3098 1 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 0 -40.288803 -23.583908 17.573595 1 3099 1 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 0 -38.423134 -24.442719 15.227257 1 3100 1 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 0 -38.22897 -24.78077 13.816647 1 3101 1 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 0 -37.456955 -26.084057 13.673704 1 3102 1 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 0 -37.748615 -26.872246 12.769323 1 3103 1 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 0 -37.485725 -23.649187 13.086886 1 3104 1 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 0 -38.389446 -22.468807 12.776594 1 3105 1 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 0 -39.63237 -22.639341 12.815609 1 3106 1 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 0 -37.85974 -21.376568 12.488754 1 3107 1 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 0 -36.470284 -26.293125 14.531324 1 3108 1 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 0 -35.679066 -27.52217 14.4840975 1 3109 1 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 0 -36.560753 -28.749348 14.689402 1 3110 1 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 0 -36.39752 -29.772093 14.011208 1 3111 1 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 0 -34.579372 -27.479595 15.549307 1 3112 1 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 0 -33.78028 -28.764013 15.641184 1 3113 1 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 0 -33.889412 -29.594135 16.758457 1 3114 1 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 0 -32.90591 -29.138878 14.625334 1 3115 1 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 0 -33.153107 -30.759054 16.85101 1 3116 1 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 0 -32.168846 -30.311668 14.710081 1 3117 1 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 0 -32.295845 -31.117699 15.826313 1 3118 1 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 0 -31.568352 -32.272865 15.915997 1 3119 1 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 0 -37.516167 -28.640152 15.612367 1 3120 1 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 0 -38.386154 -29.768404 15.933538 1 3121 1 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 0 -39.510887 -29.986546 14.916443 1 3122 1 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 0 -40.263897 -30.951069 15.035239 1 3123 1 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 0 -38.965443 -29.599554 17.34457 1 3124 1 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 0 -37.875027 -29.690834 18.403816 1 3125 1 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 0 -38.386345 -29.614548 19.824009 1 3126 1 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 0 -37.64377 -30.019096 20.74099 1 3127 1 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 0 -39.526497 -29.13836 20.02999 1 3128 1 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 0 -39.62216 -29.108614 13.932751 1 3129 1 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 0 -40.61634 -29.272358 12.876756 1 3130 1 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 0 -40.134308 -30.199177 11.775196 1 3131 1 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 0 -40.93065 -30.63588 10.942022 1 3132 1 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 0 -40.968483 -27.917805 12.24651 1 3133 1 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 0 -41.730667 -26.971067 13.149706 1 3134 1 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 0 -41.96779 -25.650272 12.432224 1 3135 1 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 0 -42.675903 -24.66391 13.337634 1 3136 1 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 0 -42.812523 -23.339973 12.694271 1 3137 1 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 0 -38.836967 -30.470928 11.749687 1 3138 1 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 0 -38.255344 -31.253965 10.65807 1 3139 1 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 0 -37.50644 -32.468292 11.169835 1 3140 1 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 0 -37.140617 -32.54908 12.340037 1 3141 1 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 0 -37.32872 -30.367466 9.811753 1 3142 1 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 0 -38.00037 -29.120817 9.344206 1 3143 1 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 0 -38.898235 -29.12328 8.290573 1 3144 1 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 0 -37.935253 -27.84893 9.783659 1 3145 1 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 0 -39.35338 -27.897675 8.1161 1 3146 1 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 0 -38.78382 -27.096752 9.004622 1 3147 1 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 0 -37.231583 -33.40135 10.266651 1 3148 1 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 0 -36.603363 -34.659775 10.6296 1 3149 1 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 0 -35.17469 -34.82083 10.099443 1 3150 1 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 0 -34.256203 -35.07109 10.872268 1 3151 1 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 0 -37.44999 -35.834938 10.142198 1 3152 1 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 0 -36.83483 -37.20269 10.425833 1 3153 1 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 0 -37.711178 -38.323227 9.86511 1 3154 1 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 0 -37.04823 -39.68376 10.082588 1 3155 1 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 0 -37.840614 -40.779854 9.491608 1 3156 1 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 0 -34.992912 -34.667847 8.78529 1 3157 1 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 0 -33.698948 -34.93426 8.161935 1 3158 1 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 0 -32.855766 -33.6647 8.0142 1 3159 1 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 0 -33.28424 -32.692944 7.3800793 1 3160 1 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 0 -33.87445 -35.609634 6.785653 1 3161 1 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 0 -32.519646 -35.98276 6.197134 1 3162 1 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 0 -34.760254 -36.84793 6.904698 1 3163 1 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 0 -31.668472 -33.70226 8.589094 1 3164 1 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 0 -30.72268 -32.593258 8.496586 1 3165 1 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 0 -29.490646 -33.09931 7.7612243 1 3166 1 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 0 -28.867302 -34.068428 8.185321 1 3167 1 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 0 -30.366707 -32.06875 9.895589 1 3168 1 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 0 -31.53023 -31.33279 10.517239 1 3169 1 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 0 -32.52925 -32.030006 11.1780815 1 3170 1 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 0 -31.65684 -29.956991 10.383618 1 3171 1 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 0 -33.62831 -31.366234 11.702464 1 3172 1 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 0 -32.74843 -29.291164 10.908756 1 3173 1 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 0 -33.7333 -30.00167 11.564285 1 3174 1 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 0 -34.81951 -29.34601 12.068456 1 3175 1 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 0 -29.177868 -32.428192 6.6581407 1 3176 1 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 0 -28.075693 -32.884 5.8248434 1 3177 1 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 0 -27.139523 -31.747566 5.4196043 1 3178 1 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 0 -27.568514 -30.614475 5.1946306 1 3179 1 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 0 -28.615456 -33.577843 4.5781083 1 3180 1 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 0 -25.846294 -32.079845 5.3562875 1 3181 1 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 0 -24.803202 -31.163603 4.9124517 1 3182 1 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 0 -24.199024 -31.786602 3.6568415 1 3183 1 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 0 -23.668438 -32.899517 3.7098775 1 3184 1 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 0 -23.75003 -31.018347 6.0026746 1 3185 1 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 0 -22.297493 -30.087496 5.5376368 1 3186 1 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 0 -24.306053 -31.087135 2.5037713 1 3187 1 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 0 -23.76373 -31.591928 1.2455866 1 3188 1 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 0 -22.507393 -30.808973 0.88860583 1 3189 1 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 0 -22.527887 -29.572853 0.82409793 1 3190 1 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 0 -24.79758 -31.471016 0.12127441 1 3191 1 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 0 -24.337166 -32.091278 -1.1838336 1 3192 1 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 0 -25.339577 -31.907314 -2.307085 1 3193 1 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 0 -26.022017 -32.888252 -2.6735816 1 3194 1 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 0 -25.456575 -30.76485 -2.797708 1 3195 1 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 0 -21.432102 -31.523912 0.65319276 1 3196 1 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 0 -20.13886 -30.909624 0.39847398 1 3197 1 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 0 -19.654083 -31.181866 -1.022393 1 3198 1 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 0 -19.64558 -32.32805 -1.4721544 1 3199 1 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 0 -19.08863 -31.41005 1.4071981 1 3200 1 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 0 -17.704594 -30.85334 1.0729961 1 3201 1 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 0 -19.492119 -31.019133 2.827558 1 3202 1 +ATOM N N . THR B0 2 197 . 197 THR B0 N 0 -19.243029 -30.093452 -1.6960729 1 3203 1 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 0 -18.675041 -30.193771 -3.0311978 1 3204 1 +ATOM C C . THR B0 2 197 . 197 THR B0 C 0 -17.238182 -29.682724 -2.943502 1 3205 1 +ATOM O O . THR B0 2 197 . 197 THR B0 O 0 -16.985847 -28.613205 -2.3878374 1 3206 1 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 0 -19.468702 -29.350382 -4.044029 1 3207 1 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 0 -20.829899 -29.80658 -4.064782 1 3208 1 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 0 -18.883085 -29.469986 -5.4410524 1 3209 1 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 0 -16.310125 -30.452133 -3.478816 1 3210 1 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 0 -14.891924 -30.094507 -3.4431047 1 3211 1 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 0 -14.160444 -30.787262 -4.583784 1 3212 1 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 0 -14.566255 -31.875448 -5.0090203 1 3213 1 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 0 -14.266304 -30.478664 -2.0968912 1 3214 1 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 0 -12.849688 -30.04011 -1.9421774 1 3215 1 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 0 -11.777525 -30.873074 -2.208754 1 3216 1 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 0 -12.321546 -28.853132 -1.5596414 1 3217 1 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 0 -10.659521 -30.19997 -1.9993689 1 3218 1 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 0 -10.956408 -28.977104 -1.6008723 1 3219 1 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 0 -13.111811 -30.152302 -5.062023 1 3220 1 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 0 -12.334861 -30.673935 -6.182273 1 3221 1 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 0 -11.83196 -32.10433 -5.9356747 1 3222 1 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 0 -11.724774 -32.89976 -6.8689804 1 3223 1 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 0 -11.148602 -29.742216 -6.4595323 1 3224 1 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 0 -10.276659 -30.17863 -7.6253233 1 3225 1 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 0 -9.091082 -29.256783 -7.835335 1 3226 1 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 0 -9.10803 -28.104446 -7.403631 1 3227 1 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 0 -8.055037 -29.754936 -8.496916 1 3228 1 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 0 -11.5217705 -32.401966 -4.6850367 1 3229 1 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 0 -11.008413 -33.71957 -4.334876 1 3230 1 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 0 -12.05849 -34.80506 -4.2360244 1 3231 1 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 0 -11.723555 -35.96953 -4.0159435 1 3232 1 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 0 -13.327858 -34.44355 -4.407566 1 3233 1 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 0 -14.427813 -35.40496 -4.3520894 1 3234 1 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 0 -14.96719 -35.641876 -5.755509 1 3235 1 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 0 -15.260593 -34.693703 -6.4830003 1 3236 1 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 0 -15.5537815 -34.883526 -3.4524915 1 3237 1 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 0 -15.199176 -34.616726 -1.9860703 1 3238 1 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 0 -16.335484 -33.860374 -1.3000355 1 3239 1 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 0 -14.9021015 -35.918213 -1.2635751 1 3240 1 +ATOM N N . SER B0 2 202 . 202 SER B0 N 0 -15.086239 -36.902374 -6.1348276 1 3241 1 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 0 -15.585384 -37.238693 -7.4671865 1 3242 1 +ATOM C C . SER B0 2 202 . 202 SER B0 C 0 -17.04893 -36.84236 -7.629316 1 3243 1 +ATOM O O . SER B0 2 202 . 202 SER B0 O 0 -17.50372 -36.59158 -8.747408 1 3244 1 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 0 -15.410652 -38.735016 -7.732831 1 3245 1 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 0 -16.083527 -39.516113 -6.776572 1 3246 1 +ATOM N N . SER B0 2 203 . 203 SER B0 N 0 -17.772186 -36.80356 -6.52759 1 3247 1 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 0 -19.16052 -36.362682 -6.5053906 1 3248 1 +ATOM C C . SER B0 2 203 . 203 SER B0 C 0 -19.452105 -35.787086 -5.129388 1 3249 1 +ATOM O O . SER B0 2 203 . 203 SER B0 O 0 -18.730024 -36.06955 -4.167015 1 3250 1 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 0 -20.113949 -37.5286 -6.808039 1 3251 1 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 0 -19.990963 -38.5607 -5.8450522 1 3252 1 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 0 -20.469707 -34.928402 -5.01474 1 3253 1 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 0 -20.765848 -34.339973 -3.705719 1 3254 1 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 0 -20.99857 -35.399033 -2.6395435 1 3255 1 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 0 -21.58707 -36.44745 -2.9135644 1 3256 1 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 0 -22.0347 -33.518238 -3.9725962 1 3257 1 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 0 -21.953712 -33.170513 -5.427474 1 3258 1 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 0 -21.362743 -34.402504 -6.061062 1 3259 1 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 0 -20.498558 -35.11771 -1.4368722 1 3260 1 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 0 -20.67022 -36.02072 -0.30567932 1 3261 1 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 0 -21.700161 -35.414024 0.63349867 1 3262 1 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 0 -21.635101 -34.223137 0.9516573 1 3263 1 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 0 -19.339893 -36.244793 0.44347736 1 3264 1 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 0 -19.574871 -36.956024 1.7781286 1 3265 1 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 0 -18.379684 -37.043743 -0.4220498 1 3266 1 +ATOM N N . THR B0 2 206 . 206 THR B0 N 0 -22.647598 -36.237083 1.0697179 1 3267 1 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 0 -23.676994 -35.77356 1.989608 1 3268 1 +ATOM C C . THR B0 2 206 . 206 THR B0 C 0 -23.608292 -36.545288 3.3039575 1 3269 1 +ATOM O O . THR B0 2 206 . 206 THR B0 O 0 -23.5452 -37.771072 3.3066478 1 3270 1 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 0 -25.086262 -35.936478 1.3837447 1 3271 1 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 0 -25.19477 -35.13672 0.20249298 1 3272 1 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 0 -26.170937 -35.50217 2.3766127 1 3273 1 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 0 -23.58088 -35.80571 4.396222 1 3274 1 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 0 -23.641418 -36.393547 5.733665 1 3275 1 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 0 -24.943697 -35.909695 6.3407707 1 3276 1 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 0 -25.289686 -34.725166 6.232685 1 3277 1 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 0 -22.451675 -35.94661 6.5923276 1 3278 1 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 0 -21.101326 -36.456764 6.0895376 1 3279 1 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 0 -21.002003 -37.97164 6.1861277 1 3280 1 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 0 -19.627153 -38.446693 5.704053 1 3281 1 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 0 -19.50552 -39.912292 5.7646074 1 3282 1 +ATOM N N . SER B0 2 208 . 208 SER B0 N 0 -25.697844 -36.822662 6.96311 1 3283 1 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 0 -26.996223 -36.447952 7.5076647 1 3284 1 +ATOM C C . SER B0 2 208 . 208 SER B0 C 0 -27.348042 -37.226566 8.765568 1 3285 1 +ATOM O O . SER B0 2 208 . 208 SER B0 O 0 -26.70116 -38.21818 9.099952 1 3286 1 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 0 -28.093071 -36.649643 6.4535184 1 3287 1 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 0 -28.239311 -38.02985 6.138225 1 3288 1 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 0 -28.372229 -36.772377 9.445274 1 3289 1 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 0 -28.914219 -37.460144 10.6131 1 3290 1 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 0 -30.404922 -37.184162 10.694605 1 3291 1 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 0 -30.904575 -36.225674 10.092634 1 3292 1 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 0 -28.20987 -37.018494 11.918108 1 3293 1 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 0 -28.478666 -35.59452 12.326477 1 3294 1 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 0 -27.612415 -34.58431 11.937619 1 3295 1 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 0 -29.571655 -35.26113 13.102824 1 3296 1 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 0 -27.845476 -33.26462 12.323996 1 3297 1 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 0 -29.807354 -33.95032 13.48975 1 3298 1 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 0 -28.945461 -32.94997 13.098602 1 3299 1 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 0 -31.082352 -38.04277 11.41056 1 3300 1 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 0 -32.51937 -37.868866 11.643057 1 3301 1 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 0 -32.69988 -37.384285 13.0723915 1 3302 1 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 0 -32.175716 -37.996864 14.0142765 1 3303 1 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 0 -33.27362 -39.19303 11.452316 1 3304 1 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 0 -33.252785 -39.67907 10.017088 1 3305 1 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 0 -33.152306 -38.886055 9.088644 1 3306 1 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 0 -33.36114 -40.98514 9.82028 1 3307 1 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 0 -33.4171 -36.288933 13.251558 1 3308 1 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 0 -33.635693 -35.719517 14.574493 1 3309 1 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 0 -34.272926 -36.756214 15.503002 1 3310 1 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 0 -35.243156 -37.42266 15.13557 1 3311 1 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 0 -34.5527 -34.476326 14.48804 1 3312 1 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 0 -34.81196 -33.831497 15.837143 1 3313 1 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 0 -35.779556 -32.651955 15.729634 1 3314 1 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 0 -37.018925 -33.00894 15.042285 1 3315 1 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 0 -38.017273 -33.676804 15.611176 1 3316 1 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 0 -39.109524 -33.977116 14.912837 1 3317 1 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 0 -37.930527 -34.031685 16.876135 1 3318 1 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 0 -33.69651 -36.90188 16.668276 1 3319 1 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 0 -34.2053 -37.837044 17.6483 1 3320 1 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 0 -33.696045 -39.25511 17.520336 1 3321 1 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 0 -34.029053 -40.115288 18.356869 1 3322 1 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 0 -32.913025 -39.517826 16.505745 1 3323 1 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 0 -32.380272 -40.86239 16.300129 1 3324 1 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 0 -30.873665 -40.887215 16.589737 1 3325 1 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 0 -30.249285 -39.841007 16.765045 1 3326 1 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 0 -32.61329 -41.33381 14.859137 1 3327 1 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 0 -34.08947 -41.456223 14.522001 1 3328 1 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 0 -34.307713 -41.920288 13.101725 1 3329 1 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 0 -35.469933 -42.131355 12.717079 1 3330 1 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 0 -33.322716 -42.0766 12.339934 1 3331 1 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 0 -30.252129 -41.947052 16.6114 1 3332 1 +ATOM N N . SER C0 3 1 . 1 SER C0 N 0 42.20735 2.135734 -4.07571 1 3333 1 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 0 41.93731 3.506658 -4.5032988 1 3334 1 +ATOM C C . SER C0 3 1 . 1 SER C0 C 0 42.17447 3.6844587 -5.9987793 1 3335 1 +ATOM O O . SER C0 3 1 . 1 SER C0 O 0 43.097168 3.0900524 -6.563889 1 3336 1 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 0 42.811714 4.4848814 -3.7325373 1 3337 1 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 0 42.527172 4.4523335 -2.340537 1 3338 1 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 0 41.344955 4.4701433 -6.602164 1 3339 1 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 0 41.476116 4.7385817 -8.022549 1 3340 1 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 0 42.11635 6.1002703 -8.252956 1 3341 1 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 0 41.936333 7.027027 -7.4612675 1 3342 1 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 0 40.105 4.7139597 -8.711445 1 3343 1 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 0 39.352753 3.3785315 -8.739267 1 3344 1 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 0 38.028275 3.5603988 -9.479137 1 3345 1 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 0 40.181355 2.2964027 -9.391618 1 3346 1 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 0 42.85414 6.2106476 -9.33078 1 3347 1 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 0 43.44597 7.47654 -9.747488 1 3348 1 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 0 43.453114 7.5207243 -11.271948 1 3349 1 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 0 42.982788 6.5802937 -11.927082 1 3350 1 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 0 44.86149 7.649941 -9.172923 1 3351 1 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 0 45.80872 6.520776 -9.526718 1 3352 1 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 0 45.54753 5.7623653 -10.481635 1 3353 1 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 0 46.84327 6.396226 -8.839304 1 3354 1 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 0 43.97899 8.590982 -11.847574 1 3355 1 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 0 43.976517 8.74148 -13.2984085 1 3356 1 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 0 44.799965 7.6519575 -13.991865 1 3357 1 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 0 44.514465 7.302022 -15.147036 1 3358 1 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 0 44.52278 10.133229 -13.687244 1 3359 1 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 0 43.640812 11.286575 -13.18294 1 3360 1 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 0 42.325333 11.4132595 -13.920179 1 3361 1 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 0 41.45691 12.178537 -13.462006 1 3362 1 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 0 42.144436 10.737554 -14.956946 1 3363 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 45.79039 7.111955 -13.290636 1 3364 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 46.666794 6.094179 -13.870705 1 3365 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 46.000557 4.724416 -13.975235 1 3366 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 46.1341 4.0425396 -14.993425 1 3367 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 47.957558 5.978008 -13.044083 1 3368 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 48.91916 4.9019337 -13.5366 1 3369 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 50.144943 4.829441 -12.625433 1 3370 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 51.085167 3.7194529 -13.080431 1 3371 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 52.26406 3.6124206 -12.180156 1 3372 1 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 0 45.264824 4.328456 -12.941735 1 3373 1 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 0 44.669357 2.997433 -12.88994 1 3374 1 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 0 43.1694 2.979279 -13.2149315 1 3375 1 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 0 42.481827 2.0003612 -12.9256 1 3376 1 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 0 44.90602 2.381464 -11.502779 1 3377 1 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 0 46.37822 2.2861326 -11.160714 1 3378 1 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 0 47.179077 1.7891641 -11.955742 1 3379 1 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 0 46.76087 2.7673137 -9.978654 1 3380 1 +ATOM N N . SER C0 3 7 . 7 SER C0 N 0 42.701736 4.03318 -13.84952 1 3381 1 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 0 41.27986 4.1120253 -14.167936 1 3382 1 +ATOM C C . SER C0 3 7 . 7 SER C0 C 0 41.043495 4.828177 -15.4930935 1 3383 1 +ATOM O O . SER C0 3 7 . 7 SER C0 O 0 41.95047 5.4446344 -16.052162 1 3384 1 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 0 40.528076 4.840663 -13.048744 1 3385 1 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 0 40.95967 6.180434 -12.946901 1 3386 1 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 0 39.82753 4.7296076 -15.962904 1 3387 1 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 0 39.400856 5.436466 -17.157558 1 3388 1 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 0 38.497395 6.5822225 -16.690567 1 3389 1 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 0 37.56785 6.366541 -15.895214 1 3390 1 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 0 38.622715 4.5094194 -18.11372 1 3391 1 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 0 38.069397 5.3028584 -19.293087 1 3392 1 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 0 39.522266 3.3811643 -18.606642 1 3393 1 +ATOM N N . SER C0 3 9 . 9 SER C0 N 0 38.770496 7.7876987 -17.146645 1 3394 1 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 0 37.992264 8.950789 -16.76931 1 3395 1 +ATOM C C . SER C0 3 9 . 9 SER C0 C 0 36.841 9.151284 -17.755352 1 3396 1 +ATOM O O . SER C0 3 9 . 9 SER C0 O 0 37.063618 9.201273 -18.966412 1 3397 1 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 0 38.873096 10.197318 -16.7242 1 3398 1 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 0 38.137856 11.3272 -16.31441 1 3399 1 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 0 35.627064 9.239994 -17.234589 1 3400 1 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 0 34.44455 9.426043 -18.06916 1 3401 1 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 0 33.782032 10.753962 -17.700626 1 3402 1 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 0 33.432285 10.978716 -16.534443 1 3403 1 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 0 33.437622 8.268051 -17.87926 1 3404 1 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 0 32.188858 8.497057 -18.722595 1 3405 1 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 0 34.084435 6.932392 -18.230661 1 3406 1 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 0 33.61505 11.626112 -18.692905 1 3407 1 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 0 32.97414 12.916675 -18.461575 1 3408 1 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 0 31.467966 12.732502 -18.29696 1 3409 1 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 0 30.843538 11.944534 -19.020414 1 3410 1 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 0 33.25161 13.878087 -19.624638 1 3411 1 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 0 34.69732 14.336622 -19.667416 1 3412 1 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 0 35.31565 14.440626 -18.590569 1 3413 1 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 0 35.198727 14.606838 -20.773745 1 3414 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 30.896969 13.452984 -17.351639 1 3415 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 29.4785 13.349786 -17.044456 1 3416 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 28.79023 14.707754 -17.152428 1 3417 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 29.454157 15.747063 -17.083294 1 3418 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 29.285894 12.814117 -15.624903 1 3419 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 29.890217 11.450457 -15.298197 1 3420 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 29.822765 11.208731 -13.797434 1 3421 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 29.172352 10.358188 -16.066746 1 3422 1 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 0 27.46404 14.707439 -17.303528 1 3423 1 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 0 26.729885 15.974518 -17.295238 1 3424 1 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 0 26.947578 16.686897 -15.95905 1 3425 1 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 0 27.172188 16.035639 -14.929545 1 3426 1 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 0 25.270824 15.539679 -17.459106 1 3427 1 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 0 25.344677 14.207846 -18.149122 1 3428 1 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 0 26.56755 13.557941 -17.568687 1 3429 1 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 0 26.907845 18.013704 -15.983282 1 3430 1 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 0 27.087738 18.765486 -14.754503 1 3431 1 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 0 28.534904 19.061728 -14.426435 1 3432 1 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 0 28.868328 19.329433 -13.272482 1 3433 1 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 0 29.391663 19.011768 -15.449072 1 3434 1 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 0 30.826113 19.259039 -15.286097 1 3435 1 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 0 31.44453 18.38223 -14.2000265 1 3436 1 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 0 32.204727 18.842585 -13.352537 1 3437 1 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 0 31.06849 20.74878 -14.981159 1 3438 1 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 0 30.58501 21.663162 -16.091835 1 3439 1 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 0 30.85606 23.129827 -15.814252 1 3440 1 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 0 30.558817 23.967031 -16.689373 1 3441 1 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 0 31.359556 23.462238 -14.718534 1 3442 1 +ATOM N N . MET C0 3 16 . 16 MET C0 N 0 31.063139 17.11724 -14.23638 1 3443 1 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 0 31.610092 16.120222 -13.322151 1 3444 1 +ATOM C C . MET C0 3 16 . 16 MET C0 C 0 32.278294 15.033926 -14.150979 1 3445 1 +ATOM O O . MET C0 3 16 . 16 MET C0 O 0 32.09621 14.946184 -15.367505 1 3446 1 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 0 30.498482 15.503281 -12.463847 1 3447 1 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 0 29.872847 16.456604 -11.4587555 1 3448 1 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 0 28.681854 15.626569 -10.373053 1 3449 1 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 0 27.36224 15.30612 -11.537224 1 3450 1 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 0 33.048122 14.209944 -13.479338 1 3451 1 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 0 33.642223 13.058716 -14.144134 1 3452 1 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 0 33.722103 11.910549 -13.146149 1 3453 1 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 0 33.780262 12.130155 -11.931061 1 3454 1 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 0 35.036743 13.38114 -14.70616 1 3455 1 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 0 36.10484 13.65042 -13.6600485 1 3456 1 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 0 37.44722 13.8938875 -14.338408 1 3457 1 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 0 38.537483 14.150641 -13.311676 1 3458 1 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 0 39.837128 14.397186 -13.965918 1 3459 1 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 0 33.688564 10.70049 -13.666042 1 3460 1 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 0 33.78043 9.520742 -12.812311 1 3461 1 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 0 34.989174 8.706334 -13.260819 1 3462 1 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 0 35.27156 8.593948 -14.459316 1 3463 1 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 0 32.48329 8.663977 -12.873184 1 3464 1 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 0 32.57097 7.485668 -11.890116 1 3465 1 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 0 32.219135 8.155445 -14.281338 1 3466 1 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 0 35.730835 8.17943 -12.299488 1 3467 1 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 0 36.853752 7.305376 -12.590688 1 3468 1 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 0 36.358696 5.8683767 -12.487608 1 3469 1 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 0 35.7558 5.487912 -11.475317 1 3470 1 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 0 37.996117 7.5384026 -11.595688 1 3471 1 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 0 38.603294 8.944298 -11.566441 1 3472 1 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 0 39.735634 8.991759 -10.543327 1 3473 1 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 0 39.111427 9.349585 -12.943545 1 3474 1 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 0 36.60137 5.0865164 -13.538321 1 3475 1 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 0 36.174313 3.6894782 -13.585688 1 3476 1 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 0 37.41652 2.8013225 -13.591911 1 3477 1 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 0 38.323997 3.0067341 -14.397045 1 3478 1 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 0 35.32402 3.402996 -14.844492 1 3479 1 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 0 34.7689 1.9815769 -14.801786 1 3480 1 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 0 34.199287 4.4254503 -14.98426 1 3481 1 +ATOM N N . SER C0 3 21 . 21 SER C0 N 0 37.44834 1.8158121 -12.697433 1 3482 1 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 0 38.596867 0.9192716 -12.631372 1 3483 1 +ATOM C C . SER C0 3 21 . 21 SER C0 C 0 38.73983 0.15497947 -13.948911 1 3484 1 +ATOM O O . SER C0 3 21 . 21 SER C0 O 0 37.74858 -0.21101168 -14.57855 1 3485 1 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 0 38.45116 -0.060815565 -11.464376 1 3486 1 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 0 37.3434 -0.93133265 -11.651679 1 3487 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 39.982346 -0.058783688 -14.364628 1 3488 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 40.24247 -0.77261215 -15.609128 1 3489 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 39.938705 -2.269596 -15.511402 1 3490 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 39.685886 -2.9176922 -16.524536 1 3491 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 41.696476 -0.55732054 -16.033825 1 3492 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 41.982056 0.89303935 -16.439495 1 3493 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 43.435028 1.0621281 -16.859213 1 3494 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 43.70289 2.5057259 -17.276066 1 3495 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 45.115173 2.7137702 -17.641445 1 3496 1 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 0 39.96081 -2.8057199 -14.285045 1 3497 1 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 0 39.671173 -4.223015 -14.064353 1 3498 1 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 0 38.579086 -4.395693 -13.012851 1 3499 1 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 0 38.385246 -3.5295944 -12.156876 1 3500 1 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 0 40.927086 -4.9690075 -13.604288 1 3501 1 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 0 42.040962 -4.982983 -14.63015 1 3502 1 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 0 43.213757 -5.824304 -14.178545 1 3503 1 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 0 43.934685 -6.357086 -15.04589 1 3504 1 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 0 43.414116 -5.9856205 -12.960625 1 3505 1 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 0 37.88015 -5.533327 -13.089167 1 3506 1 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 0 36.847473 -5.857472 -12.101851 1 3507 1 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 0 37.517487 -6.1991005 -10.772011 1 3508 1 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 0 38.636963 -6.717847 -10.741228 1 3509 1 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 0 35.991646 -7.0362515 -12.566008 1 3510 1 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 0 35.025414 -6.7059727 -13.692988 1 3511 1 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 0 34.15547 -7.91742 -14.015839 1 3512 1 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 0 33.12532 -7.576585 -15.087355 1 3513 1 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 0 32.264633 -8.74053 -15.395209 1 3514 1 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 0 36.80339 -5.922826 -9.668781 1 3515 1 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 0 37.330254 -6.259149 -8.35809 1 3516 1 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 0 37.009163 -7.716092 -8.037071 1 3517 1 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 0 36.501144 -8.451611 -8.894215 1 3518 1 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 0 36.7791 -5.320216 -7.2812476 1 3519 1 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 0 35.264687 -5.348436 -7.161518 1 3520 1 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 0 34.620358 -6.356142 -7.460925 1 3521 1 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 0 34.677975 -4.2433167 -6.7058005 1 3522 1 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 0 37.325333 -8.164876 -6.835088 1 3523 1 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 0 37.104294 -9.54915 -6.44226 1 3524 1 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 0 35.6361 -9.959035 -6.4862585 1 3525 1 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 0 35.323223 -11.155091 -6.536708 1 3526 1 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 0 37.65748 -9.789743 -5.0341344 1 3527 1 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 0 36.951057 -8.981367 -3.9489372 1 3528 1 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 0 37.54389 -9.279041 -2.5716562 1 3529 1 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 0 36.84034 -8.481377 -1.4936962 1 3530 1 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 0 37.38875 -8.766279 -0.15474539 1 3531 1 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 0 34.721676 -8.977557 -6.46382 1 3532 1 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 0 33.290916 -9.250526 -6.528965 1 3533 1 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 0 32.754066 -9.230197 -7.962794 1 3534 1 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 0 31.549963 -9.336523 -8.175202 1 3535 1 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 0 32.518032 -8.231228 -5.6847057 1 3536 1 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 0 32.91139 -8.260897 -4.2194567 1 3537 1 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 0 33.07583 -9.373926 -3.6705642 1 3538 1 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 0 33.07084 -7.177294 -3.6220157 1 3539 1 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 0 33.65867 -9.115981 -8.931638 1 3540 1 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 0 33.258904 -9.100457 -10.3276615 1 3541 1 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 0 32.5967 -7.8114624 -10.772247 1 3542 1 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 0 31.796255 -7.81153 -11.71557 1 3543 1 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 0 32.932705 -6.7064915 -10.114418 1 3544 1 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 0 32.350407 -5.410593 -10.447738 1 3545 1 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 0 33.44658 -4.3704696 -10.659576 1 3546 1 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 0 34.571938 -4.5312824 -10.180323 1 3547 1 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 0 31.397709 -4.94617 -9.337966 1 3548 1 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 0 30.194092 -5.8650675 -9.144638 1 3549 1 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 0 29.26679 -5.330883 -8.065775 1 3550 1 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 0 28.048841 -6.2351265 -7.89824 1 3551 1 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 0 27.130638 -5.7204337 -6.8651786 1 3552 1 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 0 33.076317 -3.3002515 -11.360945 1 3553 1 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 0 34.004265 -2.2062612 -11.5929985 1 3554 1 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 0 33.860596 -1.1740714 -10.481865 1 3555 1 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 0 32.7411 -0.867406 -10.05047 1 3556 1 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 0 33.738564 -1.5441421 -12.949947 1 3557 1 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 0 34.005753 -2.4651163 -14.122918 1 3558 1 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 0 32.986206 -3.225451 -14.682566 1 3559 1 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 0 35.28332 -2.5662518 -14.663369 1 3560 1 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 0 33.234653 -4.0773315 -15.750523 1 3561 1 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 0 35.537727 -3.4156425 -15.732813 1 3562 1 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 0 34.509422 -4.168704 -16.267689 1 3563 1 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 0 34.757576 -5.0120792 -17.32312 1 3564 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 34.98696 -0.6565619 -10.021112 1 3565 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 34.973415 0.3620705 -8.978009 1 3566 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 34.782524 1.7344806 -9.603024 1 3567 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 35.35941 2.0353365 -10.655561 1 3568 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 36.279312 0.33369628 -8.1781225 1 3569 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 36.42837 -0.9405601 -7.3742857 1 3570 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 35.443573 -1.3696848 -6.7449226 1 3571 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 37.537697 -1.5095887 -7.370363 1 3572 1 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 0 33.97044 2.566237 -8.977024 1 3573 1 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 0 33.69147 3.9138563 -9.445526 1 3574 1 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 0 34.05607 4.915726 -8.357206 1 3575 1 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 0 33.77823 4.684907 -7.1779284 1 3576 1 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 0 32.205338 4.080434 -9.7883 1 3577 1 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 0 31.552433 3.0604086 -10.732742 1 3578 1 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 0 30.056095 3.352739 -10.836353 1 3579 1 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 0 32.207504 3.0834389 -12.097835 1 3580 1 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 0 34.671566 6.02495 -8.753293 1 3581 1 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 0 34.99829 7.095044 -7.825067 1 3582 1 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 0 34.714027 8.428099 -8.510746 1 3583 1 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 0 35.072205 8.622534 -9.674118 1 3584 1 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 0 36.470646 7.054902 -7.366316 1 3585 1 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 0 36.739227 5.7836695 -6.547665 1 3586 1 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 0 36.804817 8.300082 -6.5247936 1 3587 1 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 0 38.180054 5.666127 -6.059214 1 3588 1 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 0 34.055786 9.318159 -7.802726 1 3589 1 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 0 33.77452 10.652499 -8.320528 1 3590 1 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 0 33.903183 11.651947 -7.179912 1 3591 1 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 0 33.570374 11.340824 -6.0332804 1 3592 1 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 0 32.374676 10.725046 -8.928717 1 3593 1 +ATOM N N . THR C0 3 35 . 35 THR C0 N 0 34.40726 12.837072 -7.4903507 1 3594 1 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 0 34.51847 13.888469 -6.491229 1 3595 1 +ATOM C C . THR C0 3 35 . 35 THR C0 C 0 33.506042 14.973464 -6.834942 1 3596 1 +ATOM O O . THR C0 3 35 . 35 THR C0 O 0 33.55845 15.561392 -7.9138937 1 3597 1 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 0 35.93164 14.4842 -6.4466524 1 3598 1 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 0 36.86532 13.446522 -6.1197844 1 3599 1 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 0 36.02541 15.58917 -5.4035115 1 3600 1 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 0 32.567787 15.20733 -5.936481 1 3601 1 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 0 31.515694 16.191967 -6.143141 1 3602 1 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 0 31.519722 17.153423 -4.958719 1 3603 1 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 0 31.341297 16.732162 -3.808486 1 3604 1 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 0 30.129059 15.519148 -6.2683477 1 3605 1 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 0 29.041897 16.566654 -6.451686 1 3606 1 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 0 30.119656 14.529142 -7.4291525 1 3607 1 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 0 31.75236 18.42781 -5.2516947 1 3608 1 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 0 31.7751 19.47652 -4.229836 1 3609 1 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 0 32.641727 19.085842 -3.0318966 1 3610 1 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 0 32.197445 19.090847 -1.883055 1 3611 1 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 0 30.35162 19.812859 -3.767419 1 3612 1 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 0 29.51519 20.425795 -4.8765473 1 3613 1 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 0 30.089354 21.13377 -5.7326164 1 3614 1 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 0 28.286528 20.204372 -4.8954706 1 3615 1 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 0 33.882523 18.725298 -3.3255448 1 3616 1 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 0 34.906136 18.394743 -2.3343658 1 3617 1 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 0 34.721832 17.04921 -1.6391459 1 3618 1 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 0 35.514694 16.699747 -0.7691827 1 3619 1 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 0 34.998127 19.50733 -1.2716709 1 3620 1 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 0 35.17343 20.907282 -1.832833 1 3621 1 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 0 35.09372 21.946678 -0.7180921 1 3622 1 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 0 35.15434 23.360369 -1.2845109 1 3623 1 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 0 34.999985 24.372501 -0.20864406 1 3624 1 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 0 33.693115 16.30935 -2.0094337 1 3625 1 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 0 33.434944 15.018831 -1.3807404 1 3626 1 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 0 33.689804 13.883772 -2.3699255 1 3627 1 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 0 33.187805 13.910996 -3.4974084 1 3628 1 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 0 31.989838 14.945778 -0.87741864 1 3629 1 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 0 31.579302 13.631868 -0.19576132 1 3630 1 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 0 30.073763 13.600875 0.01689357 1 3631 1 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 0 32.313057 13.475407 1.1353517 1 3632 1 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 0 34.470257 12.894035 -1.9334683 1 3633 1 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 0 34.723312 11.730871 -2.7796066 1 3634 1 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 0 33.613678 10.703306 -2.5794644 1 3635 1 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 0 33.337894 10.279686 -1.4553053 1 3636 1 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 0 36.07753 11.10002 -2.4517112 1 3637 1 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 0 36.43804 9.942459 -3.3639803 1 3638 1 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 0 37.829334 9.39117 -3.0951438 1 3639 1 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 0 38.803913 9.882179 -3.694183 1 3640 1 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 0 37.94272 8.471086 -2.2578096 1 3641 1 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 0 32.97792 10.328318 -3.6752124 1 3642 1 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 0 31.91526 9.333155 -3.649486 1 3643 1 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 0 32.446617 8.03596 -4.2482142 1 3644 1 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 0 33.236088 8.05825 -5.1907816 1 3645 1 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 0 30.700203 9.806568 -4.454234 1 3646 1 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 0 30.152954 11.197678 -4.1135025 1 3647 1 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 0 28.988054 11.539745 -5.0346985 1 3648 1 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 0 29.72985 11.268235 -2.6573453 1 3649 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 32.019073 6.9216857 -3.6947503 1 3650 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 32.471024 5.616704 -4.1688595 1 3651 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 31.297604 4.685625 -4.4523697 1 3652 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 30.249722 4.7836933 -3.8141062 1 3653 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 33.40245 4.967358 -3.13379 1 3654 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 34.689648 5.7413073 -2.8913522 1 3655 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 35.588844 5.003521 -1.9076138 1 3656 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 36.8973 5.759165 -1.7071788 1 3657 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 37.791237 5.047083 -0.78006154 1 3658 1 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 0 31.512295 3.7910228 -5.3977013 1 3659 1 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 0 30.48967 2.8137832 -5.7336164 1 3660 1 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 0 31.06116 1.7349625 -6.6314635 1 3661 1 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 0 32.243347 1.753031 -6.970232 1 3662 1 +ATOM N N . THR C0 3 44 . 44 THR C0 N 0 30.213594 0.76496077 -6.992407 1 3663 1 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 0 30.613192 -0.29690892 -7.9077826 1 3664 1 +ATOM C C . THR C0 3 44 . 44 THR C0 C 0 29.518038 -0.48759657 -8.947568 1 3665 1 +ATOM O O . THR C0 3 44 . 44 THR C0 O 0 28.37075 -0.08361517 -8.744152 1 3666 1 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 0 30.85265 -1.6346283 -7.1733756 1 3667 1 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 0 29.664228 -2.0171037 -6.4710307 1 3668 1 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 0 32.01375 -1.5378007 -6.202326 1 3669 1 +ATOM N N . SER C0 3 45 . 45 SER C0 N 0 29.896164 -1.0857735 -10.066729 1 3670 1 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 0 28.93935 -1.2857051 -11.150229 1 3671 1 +ATOM C C . SER C0 3 45 . 45 SER C0 C 0 29.297092 -2.519105 -11.964669 1 3672 1 +ATOM O O . SER C0 3 45 . 45 SER C0 O 0 30.471996 -2.8852534 -12.069243 1 3673 1 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 0 28.907711 -0.0537678 -12.0598755 1 3674 1 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 0 28.074932 -0.26075366 -13.188412 1 3675 1 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 0 28.280048 -3.1528835 -12.552485 1 3676 1 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 0 28.514332 -4.289433 -13.444099 1 3677 1 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 0 28.952927 -3.8013668 -14.823397 1 3678 1 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 0 29.414701 -4.5949516 -15.639941 1 3679 1 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 0 27.24107 -5.1343737 -13.592201 1 3680 1 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 0 26.929878 -5.945238 -12.34947 1 3681 1 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 0 27.875822 -6.502639 -11.747784 1 3682 1 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 0 25.740665 -6.0325084 -11.979151 1 3683 1 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 0 28.800125 -2.5150373 -15.070896 1 3684 1 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 0 29.182928 -1.9240315 -16.346676 1 3685 1 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 0 30.475035 -1.1309078 -16.194107 1 3686 1 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 0 30.763233 -0.6028233 -15.114226 1 3687 1 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 0 28.06484 -1.0024073 -16.86324 1 3688 1 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 0 26.756187 -1.7204654 -17.157948 1 3689 1 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 0 25.723988 -0.76513326 -17.73087 1 3690 1 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 0 24.445055 -1.4656563 -18.141308 1 3691 1 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 0 23.715996 -2.0236573 -16.982197 1 3692 1 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 0 31.236736 -1.0345366 -17.278465 1 3693 1 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 0 32.49704 -0.3038184 -17.236803 1 3694 1 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 0 32.436424 1.0149889 -17.996832 1 3695 1 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 0 33.46567 1.5958436 -18.321733 1 3696 1 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 0 33.639187 -1.1723359 -17.778992 1 3697 1 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 0 33.508392 -1.4780928 -19.273445 1 3698 1 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 0 32.505646 -1.1653612 -19.91127 1 3699 1 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 0 34.53211 -2.1103945 -19.834429 1 3700 1 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 0 31.207985 1.4950683 -18.260307 1 3701 1 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 0 31.043547 2.7293763 -19.016663 1 3702 1 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 0 30.895626 3.9675188 -18.127739 1 3703 1 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 0 30.727335 5.0769587 -18.640385 1 3704 1 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 0 29.848701 2.622073 -19.965706 1 3705 1 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 0 28.517593 2.5511982 -19.248001 1 3706 1 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 0 28.45631 2.3607504 -18.032722 1 3707 1 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 0 27.433455 2.703531 -19.986057 1 3708 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 30.95453 3.8067656 -16.823761 1 3709 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 30.823463 4.9184637 -15.904695 1 3710 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 29.456959 5.0533776 -15.266523 1 3711 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 29.268343 5.8876643 -14.376444 1 3712 1 +ATOM N N . SER C0 3 51 . 51 SER C0 N 0 28.480919 4.2650156 -15.701702 1 3713 1 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 0 27.140364 4.3286376 -15.131611 1 3714 1 +ATOM C C . SER C0 3 51 . 51 SER C0 C 0 27.109455 3.589665 -13.798534 1 3715 1 +ATOM O O . SER C0 3 51 . 51 SER C0 O 0 27.88642 2.662837 -13.566986 1 3716 1 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 0 26.110056 3.7350712 -16.096594 1 3717 1 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 0 26.335274 2.350834 -16.29198 1 3718 1 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 0 26.208939 4.0252647 -12.927324 1 3719 1 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 0 26.09803 3.3708405 -11.635095 1 3720 1 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 0 25.718372 4.340559 -10.534744 1 3721 1 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 0 25.298752 5.4691896 -10.793682 1 3722 1 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 0 25.847038 3.866455 -9.30578 1 3723 1 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 0 25.493376 4.6672244 -8.141899 1 3724 1 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 0 26.720875 4.803582 -7.236559 1 3725 1 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 0 27.407383 3.814115 -6.9623547 1 3726 1 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 0 24.330433 4.023674 -7.3535504 1 3727 1 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 0 24.030933 4.825228 -6.0954256 1 3728 1 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 0 23.088104 3.9259136 -8.232868 1 3729 1 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 0 26.993519 6.0281963 -6.8025913 1 3730 1 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 0 28.103916 6.3031826 -5.9044466 1 3731 1 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 0 27.56582 7.0132885 -4.6720705 1 3732 1 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 0 26.621677 7.8064737 -4.7694874 1 3733 1 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 0 29.162598 7.1855116 -6.578142 1 3734 1 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 0 29.839338 6.6431417 -7.838978 1 3735 1 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 0 31.21603 7.2632227 -8.009331 1 3736 1 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 0 28.968803 6.904129 -9.064856 1 3737 1 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 0 28.16189 6.734253 -3.5285025 1 3738 1 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 0 27.691307 7.31925 -2.2840884 1 3739 1 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 0 28.847588 7.830858 -1.4230933 1 3740 1 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 0 29.977297 7.3595495 -1.5392377 1 3741 1 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 0 26.86897 6.305424 -1.4808487 1 3742 1 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 0 25.594646 5.869665 -2.19193 1 3743 1 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 0 24.787619 4.8625097 -1.3942667 1 3744 1 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 0 23.603369 4.6527414 -1.7251115 1 3745 1 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 0 25.326256 4.2879696 -0.4304884 1 3746 1 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 0 28.528412 8.781109 -0.5562323 1 3747 1 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 0 29.509766 9.335152 0.36111316 1 3748 1 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 0 28.807686 10.004742 1.5278089 1 3749 1 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 0 27.591167 10.19877 1.5027514 1 3750 1 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 0 29.580204 10.348955 2.5572577 1 3751 1 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 0 29.031773 10.979445 3.7536151 1 3752 1 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 0 29.790726 12.278921 4.0316534 1 3753 1 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 0 31.027025 12.2862 4.0506563 1 3754 1 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 0 29.131153 10.045348 4.980522 1 3755 1 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 0 28.539959 10.714275 6.2165327 1 3756 1 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 0 28.426907 8.725386 4.7003603 1 3757 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 29.031036 13.368658 4.2327094 1 3758 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 29.640978 14.657018 4.528558 1 3759 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 30.037945 14.750402 6.0001364 1 3760 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 29.661459 13.901596 6.8164425 1 3761 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 28.678991 15.799194 4.1789217 1 3762 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 28.427036 15.971611 2.6964264 1 3763 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 27.594498 17.21971 2.4408865 1 3764 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 27.454746 17.490334 0.9609317 1 3765 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 26.69396 18.734344 0.7129845 1 3766 1 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 0 30.777138 15.809118 6.3410816 1 3767 1 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 0 31.225962 16.013962 7.718693 1 3768 1 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 0 30.05835 16.160706 8.691383 1 3769 1 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 0 30.155785 15.753664 9.84947 1 3770 1 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 0 32.133095 17.241684 7.792607 1 3771 1 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 0 28.944654 16.748617 8.220819 1 3772 1 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 0 27.779331 16.92374 9.080481 1 3773 1 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 0 26.899628 15.671074 9.133875 1 3774 1 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 0 25.779121 15.718185 9.634916 1 3775 1 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 0 26.94744 18.139603 8.63891 1 3776 1 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 0 26.318954 17.971325 7.2678757 1 3777 1 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 0 26.528893 16.921959 6.622964 1 3778 1 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 0 25.598278 18.896358 6.834216 1 3779 1 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 0 27.427555 14.564004 8.58622 1 3780 1 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 0 26.773733 13.254701 8.552052 1 3781 1 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 0 25.63047 13.148888 7.5450563 1 3782 1 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 0 24.940636 12.130734 7.50346 1 3783 1 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 0 26.301708 12.839471 9.955185 1 3784 1 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 0 27.447899 12.669516 10.939678 1 3785 1 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 0 26.950634 12.111817 12.271547 1 3786 1 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 0 28.120228 11.925455 13.232487 1 3787 1 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 0 27.660927 11.388778 14.53297 1 3788 1 +ATOM N N . SER C0 3 62 . 62 SER C0 N 0 25.41943 14.199734 6.7564106 1 3789 1 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 0 24.434408 14.095734 5.6877007 1 3790 1 +ATOM C C . SER C0 3 62 . 62 SER C0 C 0 25.01589 13.146702 4.6432457 1 3791 1 +ATOM O O . SER C0 3 62 . 62 SER C0 O 0 26.239079 13.025108 4.5098147 1 3792 1 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 0 24.131138 15.466694 5.070235 1 3793 1 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 0 25.284176 16.05752 4.5097857 1 3794 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 24.154045 12.470127 3.9260101 1 3795 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 24.60376 11.476578 2.953115 1 3796 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 24.355028 11.953184 1.5242815 1 3797 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 23.332542 12.593073 1.2454233 1 3798 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 23.912704 10.133633 3.2199025 1 3799 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 24.256447 9.594129 4.6029344 1 3800 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 23.610321 8.247887 4.887135 1 3801 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 24.000198 7.756707 6.278413 1 3802 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 23.369387 6.4726143 6.604325 1 3803 1 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 0 25.300858 11.660938 0.6498819 1 3804 1 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 0 25.238396 12.094822 -0.73865044 1 3805 1 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 0 25.201977 10.875972 -1.6567785 1 3806 1 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 0 25.950092 9.918558 -1.4618547 1 3807 1 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 0 26.442408 12.990462 -1.1006485 1 3808 1 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 0 26.344263 13.465018 -2.5457168 1 3809 1 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 0 26.529179 14.1692505 -0.1480312 1 3810 1 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 0 24.331646 10.930374 -2.6490676 1 3811 1 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 0 24.189125 9.833843 -3.5979748 1 3812 1 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 0 24.196201 10.392584 -5.022546 1 3813 1 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 0 23.41586 11.290689 -5.339263 1 3814 1 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 0 22.881474 9.07035 -3.3408735 1 3815 1 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 0 22.638203 7.903707 -4.279194 1 3816 1 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 0 21.318203 7.2180915 -3.9267907 1 3817 1 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 0 21.025146 6.0570755 -4.8636136 1 3818 1 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 0 19.760738 5.381526 -4.497914 1 3819 1 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 0 25.10923 9.882347 -5.8338566 1 3820 1 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 0 25.207752 10.285295 -7.229348 1 3821 1 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 0 24.80756 9.109781 -8.108091 1 3822 1 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 0 25.411419 8.035807 -8.029093 1 3823 1 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 0 26.639618 10.722348 -7.572715 1 3824 1 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 0 26.919184 11.031128 -9.04988 1 3825 1 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 0 28.411 11.252325 -9.271326 1 3826 1 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 0 26.118187 12.240847 -9.5191345 1 3827 1 +ATOM N N . THR C0 3 67 . 67 THR C0 N 0 23.77755 9.301203 -8.908895 1 3828 1 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 0 23.318058 8.256283 -9.815745 1 3829 1 +ATOM C C . THR C0 3 67 . 67 THR C0 C 0 23.646555 8.676323 -11.25062 1 3830 1 +ATOM O O . THR C0 3 67 . 67 THR C0 O 0 23.275126 9.766406 -11.680278 1 3831 1 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 0 21.805115 8.024155 -9.673132 1 3832 1 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 0 21.505054 7.672052 -8.316059 1 3833 1 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 0 21.333931 6.9044313 -10.599021 1 3834 1 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 0 24.368258 7.813157 -11.94496 1 3835 1 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 0 24.754616 8.070083 -13.328341 1 3836 1 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 0 23.951836 7.118526 -14.213468 1 3837 1 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 0 24.022587 5.8987036 -14.0424 1 3838 1 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 0 26.264965 7.8341312 -13.531939 1 3839 1 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 0 27.069307 8.668795 -12.530659 1 3840 1 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 0 26.665302 8.164767 -14.973503 1 3841 1 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 0 28.52566 8.248564 -12.393646 1 3842 1 +ATOM N N . SER C0 3 69 . 69 SER C0 N 0 23.162937 7.671554 -15.137778 1 3843 1 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 0 22.30217 6.8571367 -15.990548 1 3844 1 +ATOM C C . SER C0 3 69 . 69 SER C0 C 0 23.116966 5.9303217 -16.89257 1 3845 1 +ATOM O O . SER C0 3 69 . 69 SER C0 O 0 24.274921 6.2058516 -17.205727 1 3846 1 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 0 21.39492 7.743537 -16.850025 1 3847 1 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 0 22.15844 8.557481 -17.72907 1 3848 1 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 0 22.499165 4.8213363 -17.30235 1 3849 1 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 0 23.168663 3.8199947 -18.128645 1 3850 1 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 0 23.712208 4.4008684 -19.434113 1 3851 1 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 0 24.778955 3.9953408 -19.888937 1 3852 1 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 0 22.220541 2.659545 -18.440868 1 3853 1 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 0 22.035624 1.7168922 -17.261667 1 3854 1 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 0 22.782196 1.8393348 -16.266363 1 3855 1 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 0 21.138031 0.8503394 -17.33388 1 3856 1 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 0 22.97358 5.3571568 -20.036787 1 3857 1 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 0 23.429188 5.954374 -21.285917 1 3858 1 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 0 24.344982 7.1567326 -21.063824 1 3859 1 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 0 24.729351 7.8224554 -22.026726 1 3860 1 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 0 22.231602 6.346351 -22.169004 1 3861 1 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 0 21.360233 7.4368696 -21.566826 1 3862 1 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 0 21.680763 7.946415 -20.465721 1 3863 1 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 0 20.349756 7.794547 -22.204937 1 3864 1 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 0 24.684477 7.431703 -19.814388 1 3865 1 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 0 25.551867 8.530334 -19.401382 1 3866 1 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 0 24.983608 9.90784 -19.747116 1 3867 1 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 0 25.707558 10.904022 -19.70306 1 3868 1 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 0 26.95716 8.395521 -20.015106 1 3869 1 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 0 27.667082 7.0640507 -19.808456 1 3870 1 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 0 29.04862 7.110574 -20.44884 1 3871 1 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 0 27.783016 6.748356 -18.320635 1 3872 1 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 0 23.693783 9.959133 -20.071404 1 3873 1 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 0 23.072659 11.205132 -20.473743 1 3874 1 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 0 22.478481 12.028831 -19.35181 1 3875 1 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 0 21.976284 13.131306 -19.5807 1 3876 1 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 0 22.529041 11.506977 -18.135544 1 3877 1 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 0 21.93538 12.214249 -17.006008 1 3878 1 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 0 22.59401 11.818042 -15.688726 1 3879 1 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 0 22.999107 10.6646805 -15.515511 1 3880 1 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 0 20.436558 11.90523 -16.947666 1 3881 1 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 0 19.676071 12.632792 -15.85718 1 3882 1 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 0 18.200436 12.283026 -15.854164 1 3883 1 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 0 17.433178 12.7885895 -16.673649 1 3884 1 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 0 17.81054 11.385855 -14.955402 1 3885 1 +ATOM N N . THR C0 3 75 . 75 THR C0 N 0 22.701653 12.783878 -14.789167 1 3886 1 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 0 23.179123 12.510053 -13.444263 1 3887 1 +ATOM C C . THR C0 3 75 . 75 THR C0 C 0 22.156635 13.059133 -12.457741 1 3888 1 +ATOM O O . THR C0 3 75 . 75 THR C0 O 0 21.491316 14.064861 -12.728697 1 3889 1 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 0 24.548012 13.151394 -13.142369 1 3890 1 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 0 24.459362 14.568695 -13.265094 1 3891 1 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 0 25.626675 12.61984 -14.064484 1 3892 1 +ATOM N N . THR C0 3 76 . 76 THR C0 N 0 22.02325 12.367083 -11.3307495 1 3893 1 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 0 21.128494 12.804913 -10.267588 1 3894 1 +ATOM C C . THR C0 3 76 . 76 THR C0 C 0 21.962955 12.841698 -8.9897375 1 3895 1 +ATOM O O . THR C0 3 76 . 76 THR C0 O 0 22.507284 11.817871 -8.571855 1 3896 1 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 0 19.939465 11.84911 -10.088253 1 3897 1 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 0 19.183167 11.796541 -11.304083 1 3898 1 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 0 19.031775 12.31971 -8.952425 1 3899 1 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 0 22.0776 14.038941 -8.404938 1 3900 1 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 0 22.837486 14.20783 -7.174472 1 3901 1 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 0 21.85543 14.512585 -6.046067 1 3902 1 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 0 21.152424 15.529779 -6.0854893 1 3903 1 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 0 23.85749 15.350542 -7.3132133 1 3904 1 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 0 24.77511 15.571899 -6.1131277 1 3905 1 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 0 25.564663 16.86208 -6.2906775 1 3906 1 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 0 25.712845 14.391613 -5.926132 1 3907 1 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 0 21.80568 13.634467 -5.065463 1 3908 1 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 0 20.87315 13.781992 -3.9580722 1 3909 1 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 0 21.621805 13.879784 -2.6331005 1 3910 1 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 0 22.608604 13.1757555 -2.410212 1 3911 1 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 0 19.902111 12.594368 -3.9028313 1 3912 1 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 0 18.991543 12.493124 -5.1182246 1 3913 1 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 0 18.24244 11.17257 -5.186726 1 3914 1 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 0 16.997904 11.1946535 -5.2641554 1 3915 1 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 0 18.903843 10.121419 -5.1534777 1 3916 1 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 0 21.136753 14.767124 -1.7684481 1 3917 1 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 0 21.699795 14.913048 -0.43032846 1 3918 1 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 0 20.588627 14.56855 0.5489435 1 3919 1 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 0 19.471077 15.083803 0.43801647 1 3920 1 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 0 22.22195 16.344715 -0.16559923 1 3921 1 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 0 22.807219 16.438133 1.236069 1 3922 1 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 0 23.271446 16.725067 -1.2144976 1 3923 1 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 0 20.887852 13.686335 1.4876094 1 3924 1 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 0 19.91185 13.214504 2.4710772 1 3925 1 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 0 20.323566 13.584967 3.888657 1 3926 1 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 0 21.492737 13.857386 4.1558876 1 3927 1 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 0 19.776073 11.6932745 2.4035792 1 3928 1 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 0 19.368694 11.151644 1.0682578 1 3929 1 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 0 20.329227 10.825141 0.11969186 1 3930 1 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 0 18.032745 10.971678 0.7548698 1 3931 1 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 0 19.956486 10.322034 -1.1144738 1 3932 1 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 0 17.657358 10.470703 -0.48116085 1 3933 1 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 0 18.62026 10.142532 -1.4171281 1 3934 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 19.339108 13.534502 4.7937746 1 3935 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 19.638805 13.686196 6.207587 1 3936 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 20.45164 12.472902 6.633712 1 3937 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 20.666536 11.534938 5.860787 1 3938 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 18.353449 13.771654 7.0395937 1 3939 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 17.596674 15.081314 6.9198194 1 3940 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 16.420214 15.084829 7.8889465 1 3941 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 15.646827 16.392345 7.8234715 1 3942 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 14.502768 16.380959 8.763271 1 3943 1 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 0 20.858028 12.455788 7.8913374 1 3944 1 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 0 21.662159 11.365294 8.433233 1 3945 1 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 0 20.997688 9.991529 8.276334 1 3946 1 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 0 21.688515 8.978914 8.150782 1 3947 1 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 0 21.966206 11.642773 9.913742 1 3948 1 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 0 22.880325 10.615994 10.572903 1 3949 1 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 0 23.219948 10.964483 12.006392 1 3950 1 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 0 22.74517 12.021236 12.494732 1 3951 1 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 0 23.96125 10.206608 12.657297 1 3952 1 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 0 19.651688 9.954353 8.2441 1 3953 1 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 0 18.946789 8.678021 8.134216 1 3954 1 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 0 19.068146 8.053861 6.7385798 1 3955 1 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 0 18.689318 6.9019494 6.541998 1 3956 1 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 0 17.472826 8.818597 8.538313 1 3957 1 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 0 16.676323 9.777441 7.65825 1 3958 1 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 0 17.134521 10.118431 6.539856 1 3959 1 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 0 15.572889 10.184949 8.087547 1 3960 1 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 0 19.611076 8.814308 5.7924523 1 3961 1 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 0 19.817656 8.30888 4.4479856 1 3962 1 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 0 18.564545 8.170236 3.6004906 1 3963 1 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 0 18.63255 7.639885 2.4833772 1 3964 1 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 0 17.439774 8.669014 4.0896063 1 3965 1 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 0 16.175772 8.561323 3.3692355 1 3966 1 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 0 15.502203 9.906637 3.1426651 1 3967 1 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 0 14.9155445 10.134249 2.0805633 1 3968 1 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 0 15.21215 7.6229324 4.1214867 1 3969 1 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 0 15.692795 6.182803 4.2021065 1 3970 1 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 0 14.7109165 5.3447905 5.009517 1 3971 1 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 0 15.18014 3.8996232 5.1057997 1 3972 1 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 0 14.246425 3.098793 5.9176574 1 3973 1 +ATOM N N . THR C0 3 86 . 86 THR C0 N 0 15.571316 10.794123 4.131092 1 3974 1 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 0 14.923481 12.096799 4.040252 1 3975 1 +ATOM C C . THR C0 3 86 . 86 THR C0 C 0 15.738719 13.016472 3.1265364 1 3976 1 +ATOM O O . THR C0 3 86 . 86 THR C0 O 0 16.878292 13.3521385 3.428197 1 3977 1 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 0 14.780882 12.73378 5.4280405 1 3978 1 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 0 14.099113 11.831203 6.2961016 1 3979 1 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 0 14.017337 14.049118 5.3535233 1 3980 1 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 0 15.111465 13.435347 2.0231495 1 3981 1 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 0 15.797063 14.23788 1.0201489 1 3982 1 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 0 15.936382 15.699278 1.4507278 1 3983 1 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 0 14.972145 16.312195 1.9304798 1 3984 1 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 0 15.037109 14.150267 -0.30723768 1 3985 1 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 0 15.738851 14.638345 -1.5741009 1 3986 1 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 0 14.800682 14.449641 -2.7619457 1 3987 1 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 0 17.045975 13.889189 -1.7948167 1 3988 1 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 0 17.131828 16.23846 1.2721086 1 3989 1 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 0 17.424213 17.630669 1.591835 1 3990 1 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 0 17.507053 18.445536 0.30108052 1 3991 1 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 0 16.951828 19.542572 0.21613865 1 3992 1 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 0 18.7412 17.75599 2.384366 1 3993 1 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 0 19.122026 19.219185 2.5642126 1 3994 1 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 0 18.613953 17.051525 3.7332053 1 3995 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 18.189598 17.913921 -0.6972822 1 3996 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 18.302963 18.573235 -1.9887545 1 3997 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 18.51363 17.542542 -3.0869527 1 3998 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 18.950125 16.421192 -2.8262153 1 3999 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 19.4454 19.591242 -2.000666 1 4000 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 20.69919 18.958004 -1.8733642 1 4001 1 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 0 18.184704 17.951881 -4.307182 1 4002 1 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 0 18.306355 17.059875 -5.45545 1 4003 1 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 0 18.597359 17.88518 -6.7051034 1 4004 1 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 0 17.948673 18.91056 -6.927636 1 4005 1 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 0 16.99828 16.272211 -5.649658 1 4006 1 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 0 16.928196 15.456112 -6.9288964 1 4007 1 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 0 15.520584 14.893961 -7.120862 1 4008 1 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 0 15.379969 14.151362 -8.442488 1 4009 1 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 0 13.98688 13.722062 -8.6651745 1 4010 1 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 0 19.576302 17.441677 -7.4824805 1 4011 1 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 0 19.894772 18.113373 -8.733395 1 4012 1 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 0 20.03654 17.081184 -9.844572 1 4013 1 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 0 20.82928 16.152483 -9.733236 1 4014 1 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 0 21.18193 18.939117 -8.622728 1 4015 1 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 0 21.483618 19.730892 -9.892802 1 4016 1 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 0 22.690187 20.641762 -9.721691 1 4017 1 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 0 22.91877 21.476088 -10.981658 1 4018 1 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 0 24.06482 22.384712 -10.824843 1 4019 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 19.237709 17.263115 -10.883619 1 4020 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 19.28415 16.38145 -12.047886 1 4021 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 19.861488 17.197586 -13.201464 1 4022 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 19.35821 18.280409 -13.509217 1 4023 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 17.881796 15.857498 -12.427595 1 4024 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 17.97219 14.9545765 -13.657068 1 4025 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 17.266285 15.112314 -11.251591 1 4026 1 +ATOM N N . THR C0 3 93 . 93 THR C0 N 0 20.917067 16.697176 -13.807394 1 4027 1 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 0 21.57017 17.397001 -14.904791 1 4028 1 +ATOM C C . THR C0 3 93 . 93 THR C0 C 0 21.609015 16.50321 -16.14486 1 4029 1 +ATOM O O . THR C0 3 93 . 93 THR C0 O 0 21.979244 15.331734 -16.053144 1 4030 1 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 0 23.000652 17.818256 -14.531124 1 4031 1 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 0 22.975143 18.571247 -13.319763 1 4032 1 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 0 23.638687 18.663525 -15.630928 1 4033 1 +ATOM N N . SER C0 3 94 . 94 SER C0 N 0 21.1976 17.06778 -17.274174 1 4034 1 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 0 21.176714 16.320679 -18.529907 1 4035 1 +ATOM C C . SER C0 3 94 . 94 SER C0 C 0 22.372631 16.701283 -19.405968 1 4036 1 +ATOM O O . SER C0 3 94 . 94 SER C0 O 0 23.011215 17.732239 -19.191483 1 4037 1 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 0 19.875866 16.576183 -19.287987 1 4038 1 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 0 18.756376 16.150349 -18.53223 1 4039 1 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 0 22.662601 15.871145 -20.385181 1 4040 1 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 0 23.800856 16.075706 -21.263935 1 4041 1 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 0 23.723198 17.38378 -22.051079 1 4042 1 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 0 24.74613 17.955244 -22.423252 1 4043 1 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 0 23.952843 14.890115 -22.221712 1 4044 1 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 0 25.288382 14.840531 -22.936722 1 4045 1 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 0 25.446014 13.530053 -23.699703 1 4046 1 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 0 26.823097 13.44706 -24.333946 1 4047 1 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 0 27.019316 12.164022 -25.032639 1 4048 1 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 0 22.492033 17.874516 -22.313473 1 4049 1 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 0 22.330793 19.11977 -23.053402 1 4050 1 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 0 22.521345 20.351841 -22.163742 1 4051 1 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 0 22.22253 21.470371 -22.582382 1 4052 1 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 0 20.956448 19.169704 -23.743458 1 4053 1 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 0 19.784573 19.25716 -22.777771 1 4054 1 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 0 20.00431 19.194443 -21.545113 1 4055 1 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 0 18.640371 19.396809 -23.249191 1 4056 1 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 0 23.003834 20.136711 -20.945576 1 4057 1 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 0 23.295662 21.163263 -19.947632 1 4058 1 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 0 22.06773 21.715845 -19.225395 1 4059 1 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 0 22.18848 22.625927 -18.401417 1 4060 1 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 0 24.108864 22.313644 -20.558655 1 4061 1 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 0 25.468575 21.862587 -21.066565 1 4062 1 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 0 26.200684 22.972654 -21.806322 1 4063 1 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 0 26.638535 24.082565 -20.862017 1 4064 1 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 0 27.432404 25.10736 -21.565382 1 4065 1 +ATOM N N . SER C0 3 98 . 98 SER C0 N 0 20.886745 21.180063 -19.51186 1 4066 1 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 0 19.695208 21.584654 -18.772184 1 4067 1 +ATOM C C . SER C0 3 98 . 98 SER C0 C 0 19.743364 20.89537 -17.409718 1 4068 1 +ATOM O O . SER C0 3 98 . 98 SER C0 O 0 20.351437 19.831932 -17.255901 1 4069 1 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 0 18.41519 21.198475 -19.522158 1 4070 1 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 0 18.294426 19.795525 -19.65303 1 4071 1 +ATOM N N . SER C0 3 99 . 99 SER C0 N 0 19.115335 21.537445 -16.416203 1 4072 1 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 0 19.114435 20.941803 -15.087564 1 4073 1 +ATOM C C . SER C0 3 99 . 99 SER C0 C 0 17.901424 21.383568 -14.277822 1 4074 1 +ATOM O O . SER C0 3 99 . 99 SER C0 O 0 17.259298 22.388807 -14.594469 1 4075 1 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 0 20.39376 21.294966 -14.321447 1 4076 1 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 0 20.426838 22.66513 -13.986916 1 4077 1 +ATOM N N . THR C0 3 100 . 100 THR C0 N 0 17.597446 20.58633 -13.253458 1 4078 1 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 0 16.53352 20.91159 -12.309826 1 4079 1 +ATOM C C . THR C0 3 100 . 100 THR C0 C 0 17.126528 20.710396 -10.918061 1 4080 1 +ATOM O O . THR C0 3 100 . 100 THR C0 O 0 17.629988 19.630913 -10.605949 1 4081 1 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 0 15.30377 20.007616 -12.486456 1 4082 1 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 0 14.7796755 20.172596 -13.808392 1 4083 1 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 0 14.219473 20.37359 -11.474075 1 4084 1 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 0 17.089014 21.775194 -10.11694 1 4085 1 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 0 17.629826 21.71758 -8.767157 1 4086 1 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 0 16.522324 22.048433 -7.7748966 1 4087 1 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 0 15.805609 23.041428 -7.9484825 1 4088 1 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 0 18.800621 22.699451 -8.618936 1 4089 1 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 0 19.519966 22.58559 -7.294481 1 4090 1 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 0 20.852638 23.303345 -7.2775416 1 4091 1 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 0 21.186394 23.999268 -8.260654 1 4092 1 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 0 21.588732 23.164764 -6.275199 1 4093 1 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 0 16.387657 21.21494 -6.756689 1 4094 1 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 0 15.3287525 21.386078 -5.7734413 1 4095 1 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 0 15.871471 21.3185 -4.35069 1 4096 1 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 0 16.810427 20.582207 -4.066517 1 4097 1 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 0 14.254522 20.301558 -5.934166 1 4098 1 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 0 13.515746 20.34151 -7.2587323 1 4099 1 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 0 12.75193 19.060436 -7.539877 1 4100 1 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 0 11.506072 19.109509 -7.604027 1 4101 1 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 0 13.40344 18.012177 -7.6852617 1 4102 1 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 0 15.250196 22.091396 -3.4676666 1 4103 1 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 0 15.542637 22.039457 -2.0416262 1 4104 1 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 0 14.239825 21.697971 -1.344218 1 4105 1 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 0 13.164917 22.128422 -1.7768549 1 4106 1 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 0 16.099243 23.378017 -1.5330329 1 4107 1 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 0 17.485477 23.70239 -2.0668583 1 4108 1 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 0 18.03095 24.981812 -1.4421115 1 4109 1 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 0 19.420582 25.290749 -1.9794726 1 4110 1 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 0 19.956747 26.547802 -1.415619 1 4111 1 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 0 14.336098 20.923866 -0.2662274 1 4112 1 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 0 13.147113 20.430096 0.43036607 1 4113 1 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 0 13.106619 20.872334 1.8875631 1 4114 1 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 0 14.153156 21.027401 2.5223856 1 4115 1 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 0 13.098907 18.900623 0.35444573 1 4116 1 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 0 13.111501 18.372763 -1.0507998 1 4117 1 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 0 14.30266 18.257278 -1.7550516 1 4118 1 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 0 11.933773 18.02502 -1.6870551 1 4119 1 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 0 14.313744 17.798492 -3.0637455 1 4120 1 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 0 11.9404 17.56376 -2.9944177 1 4121 1 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 0 13.135435 17.448551 -3.6799283 1 4122 1 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 0 11.888759 21.063772 2.4014385 1 4123 1 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 0 11.740405 21.444328 3.7975698 1 4124 1 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 0 11.626699 20.192373 4.671117 1 4125 1 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 0 11.745844 19.067186 4.1797867 1 4126 1 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 0 10.5422735 22.380339 4.00318 1 4127 1 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 0 9.199646 21.745037 3.6790028 1 4128 1 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 0 9.0653 20.520538 3.6586561 1 4129 1 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 0 8.198961 22.589817 3.4430804 1 4130 1 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 0 11.418184 20.368443 5.9755263 1 4131 1 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 0 11.39938 19.248652 6.907901 1 4132 1 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 0 10.246574 18.275682 6.6670938 1 4133 1 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 0 10.3045 17.13839 7.138747 1 4134 1 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 0 11.371926 19.753296 8.360151 1 4135 1 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 0 10.118744 20.55749 8.71298 1 4136 1 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 0 10.106287 21.022049 10.164854 1 4137 1 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 0 10.999594 20.62684 10.932348 1 4138 1 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 0 9.184824 21.78929 10.5388 1 4139 1 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 0 9.196615 18.712456 5.9368143 1 4140 1 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 0 8.071831 17.8334 5.6269345 1 4141 1 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 0 8.291687 17.035145 4.3423653 1 4142 1 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 0 7.4440165 16.239037 3.956451 1 4143 1 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 0 6.7799335 18.64936 5.488656 1 4144 1 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 0 6.3343124 19.345982 6.7603884 1 4145 1 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 0 5.040731 20.112202 6.5157986 1 4146 1 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 0 4.6067324 20.843994 7.770006 1 4147 1 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 0 3.3623905 21.597885 7.5447006 1 4148 1 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 0 9.439236 17.277905 3.6965923 1 4149 1 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 0 9.70886 16.603365 2.4433062 1 4150 1 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 0 9.036425 17.270205 1.2561138 1 4151 1 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 0 8.905956 16.665066 0.19353905 1 4152 1 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 0 8.609028 18.54346 1.4277332 1 4153 1 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 0 7.9596415 19.301567 0.37386304 1 4154 1 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 0 8.978238 20.234852 -0.27534366 1 4155 1 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 0 9.804251 20.829412 0.41426575 1 4156 1 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 0 6.7946615 20.132893 0.94360614 1 4157 1 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 0 5.721412 19.276798 1.6080687 1 4158 1 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 0 4.7792883 20.071375 2.4975765 1 4159 1 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 0 3.6696453 19.57208 2.7616315 1 4160 1 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 0 5.1433563 21.177082 2.9399781 1 4161 1 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 0 8.895749 20.359535 -1.5794064 1 4162 1 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 0 9.844565 21.231846 -2.2713976 1 4163 1 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 0 9.600585 22.688766 -1.8483758 1 4164 1 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 0 8.457016 23.15227 -1.8045425 1 4165 1 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 0 9.751451 21.066624 -3.809581 1 4166 1 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 0 10.874861 21.830536 -4.4951377 1 4167 1 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 0 8.389257 21.492035 -4.3299193 1 4168 1 +ATOM N N . SER C0 3 111 . 111 SER C0 N 0 10.679876 23.38121 -1.4843384 1 4169 1 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 0 10.582981 24.770897 -1.0424938 1 4170 1 +ATOM C C . SER C0 3 111 . 111 SER C0 C 0 11.215347 25.721127 -2.0549881 1 4171 1 +ATOM O O . SER C0 3 111 . 111 SER C0 O 0 10.847347 26.895695 -2.1029425 1 4172 1 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 0 11.260187 24.950016 0.3232224 1 4173 1 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 0 12.621275 24.565311 0.26867875 1 4174 1 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 0 12.150515 25.23059 -2.8578773 1 4175 1 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 0 12.79579 25.999414 -3.9101334 1 4176 1 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 0 13.028864 25.093437 -5.109952 1 4177 1 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 0 13.276648 23.897211 -4.948571 1 4178 1 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 0 14.148504 26.562931 -3.4487228 1 4179 1 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 0 14.059435 27.53815 -2.2835848 1 4180 1 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 0 15.416826 28.07117 -1.8584349 1 4181 1 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 0 15.556307 28.496227 -0.6991985 1 4182 1 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 0 16.350845 28.072193 -2.6893737 1 4183 1 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 0 12.940905 25.689743 -6.286013 1 4184 1 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 0 13.183092 24.912176 -7.4980145 1 4185 1 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 0 13.754084 25.823841 -8.58061 1 4186 1 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 0 13.229096 26.917143 -8.80956 1 4187 1 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 0 11.886006 24.25887 -7.9984 1 4188 1 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 0 12.069723 23.337816 -9.197925 1 4189 1 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 0 10.758092 22.643448 -9.547302 1 4190 1 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 0 10.939434 21.659851 -10.691792 1 4191 1 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 0 9.681681 20.949512 -10.989559 1 4192 1 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 0 14.835303 25.385937 -9.195463 1 4193 1 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 0 15.4654255 26.143568 -10.269241 1 4194 1 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 0 15.586178 25.229465 -11.480593 1 4195 1 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 0 16.208988 24.166828 -11.401547 1 4196 1 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 0 16.866415 26.663391 -9.87229 1 4197 1 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 0 16.768183 27.576797 -8.647501 1 4198 1 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 0 17.505253 27.416601 -11.057487 1 4199 1 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 0 18.126413 28.014357 -8.10639 1 4200 1 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 0 14.963243 25.654037 -12.581632 1 4201 1 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 0 15.041599 24.900656 -13.828615 1 4202 1 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 0 15.932097 25.690168 -14.783962 1 4203 1 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 0 15.6048565 26.822784 -15.140828 1 4204 1 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 0 13.646818 24.69445 -14.457296 1 4205 1 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 0 12.743375 23.919662 -13.492611 1 4206 1 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 0 13.777143 23.96578 -15.805378 1 4207 1 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 0 11.283243 23.867283 -13.925436 1 4208 1 +ATOM N N . THR C0 3 116 . 116 THR C0 N 0 17.053999 25.104841 -15.136386 1 4209 1 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 0 17.970444 25.741543 -16.073797 1 4210 1 +ATOM C C . THR C0 3 116 . 116 THR C0 C 0 17.777346 25.096622 -17.442986 1 4211 1 +ATOM O O . THR C0 3 116 . 116 THR C0 O 0 17.91525 23.880451 -17.583195 1 4212 1 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 0 19.431385 25.595085 -15.6216755 1 4213 1 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 0 19.591389 26.179224 -14.32836 1 4214 1 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 0 20.381588 26.28584 -16.603924 1 4215 1 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 0 17.4118 25.920763 -18.430649 1 4216 1 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 0 17.214214 25.411861 -19.773537 1 4217 1 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 0 18.554495 25.277105 -20.489101 1 4218 1 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 0 19.55702 25.851913 -20.054169 1 4219 1 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 0 16.286963 26.356071 -20.553474 1 4220 1 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 0 14.892507 26.448654 -19.952337 1 4221 1 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 0 14.209208 27.70943 -20.444809 1 4222 1 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 0 12.811024 27.784197 -20.03119 1 4223 1 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 0 12.161204 28.922455 -19.833017 1 4224 1 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 0 12.794493 30.084389 -19.971176 1 4225 1 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 0 10.888619 28.902325 -19.477852 1 4226 1 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 0 18.550217 24.51541 -21.578568 1 4227 1 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 0 19.787674 24.28801 -22.321774 1 4228 1 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 0 20.425264 25.593513 -22.80481 1 4229 1 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 0 21.646309 25.67523 -22.929226 1 4230 1 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 0 19.522278 23.364325 -23.506767 1 4231 1 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 0 19.58223 26.617924 -23.05973 1 4232 1 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 0 20.106178 27.8936 -23.541023 1 4233 1 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 0 20.574505 28.821106 -22.412958 1 4234 1 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 0 20.975803 29.960213 -22.678833 1 4235 1 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 0 19.070992 28.610718 -24.418823 1 4236 1 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 0 17.796625 28.988024 -23.68338 1 4237 1 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 0 17.738922 28.832973 -22.437923 1 4238 1 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 0 16.848734 29.4454 -24.343037 1 4239 1 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 0 20.534615 28.351696 -21.177553 1 4240 1 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 0 21.000088 29.12719 -20.043203 1 4241 1 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 0 19.946991 29.957748 -19.338894 1 4242 1 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 0 20.20948 30.508173 -18.265686 1 4243 1 +ATOM N N . THR C0 3 121 . 121 THR C0 N 0 18.749018 30.083096 -19.928862 1 4244 1 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 0 17.689053 30.817736 -19.248913 1 4245 1 +ATOM C C . THR C0 3 121 . 121 THR C0 C 0 17.13956 29.939043 -18.128233 1 4246 1 +ATOM O O . THR C0 3 121 . 121 THR C0 O 0 17.292376 28.712322 -18.146923 1 4247 1 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 0 16.554232 31.226158 -20.21751 1 4248 1 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 0 15.967197 30.059036 -20.78864 1 4249 1 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 0 17.092625 32.11991 -21.32957 1 4250 1 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 0 16.495749 30.591213 -17.153858 1 4251 1 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 0 16.059055 29.845726 -15.982202 1 4252 1 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 0 14.66128 30.217354 -15.516865 1 4253 1 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 0 14.209953 31.360874 -15.701215 1 4254 1 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 0 17.021484 30.089825 -14.805269 1 4255 1 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 0 18.454967 29.66658 -15.048534 1 4256 1 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 0 19.272709 29.75381 -13.770679 1 4257 1 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 0 19.316906 31.102512 -13.199251 1 4258 1 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 0 20.100548 32.07823 -13.642174 1 4259 1 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 0 20.909105 31.881681 -14.674004 1 4260 1 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 0 20.06329 33.26761 -13.047623 1 4261 1 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 0 14.018101 29.255777 -14.908159 1 4262 1 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 0 12.768457 29.46831 -14.183584 1 4263 1 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 0 13.128599 29.209839 -12.729078 1 4264 1 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 0 13.649294 28.140602 -12.394924 1 4265 1 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 0 11.669586 28.498243 -14.633958 1 4266 1 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 0 10.9694805 28.822067 -15.9542885 1 4267 1 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 0 10.1121025 27.628265 -16.379372 1 4268 1 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 0 10.119152 30.07116 -15.802443 1 4269 1 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 0 12.889909 30.199448 -11.874112 1 4270 1 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 0 13.235741 30.06568 -10.468557 1 4271 1 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 0 11.99448 30.213753 -9.594996 1 4272 1 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 0 11.213159 31.14695 -9.768152 1 4273 1 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 0 14.277075 31.125648 -10.063805 1 4274 1 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 0 15.572725 31.00642 -10.85569 1 4275 1 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 0 16.626278 32.0224 -10.447792 1 4276 1 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 0 17.70919 32.03762 -11.064472 1 4277 1 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 0 16.378578 32.81051 -9.508213 1 4278 1 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 0 11.83227 29.274813 -8.685722 1 4279 1 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 0 10.693981 29.274775 -7.7714643 1 4280 1 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 0 11.196896 29.293287 -6.3372364 1 4281 1 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 0 12.094571 28.519053 -5.9835 1 4282 1 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 0 9.816326 28.043247 -7.996332 1 4283 1 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 0 9.36153 27.887703 -9.435333 1 4284 1 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 0 9.964613 26.965336 -10.288561 1 4285 1 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 0 8.332136 28.675451 -9.945783 1 4286 1 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 0 9.549412 26.821749 -11.605678 1 4287 1 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 0 7.9122114 28.539516 -11.267939 1 4288 1 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 0 8.526804 27.608395 -12.082653 1 4289 1 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 0 8.116171 27.472244 -13.383391 1 4290 1 +ATOM N N . THR C0 3 126 . 126 THR C0 N 0 10.626846 30.158623 -5.5269794 1 4291 1 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 0 10.99638 30.24943 -4.1232862 1 4292 1 +ATOM C C . THR C0 3 126 . 126 THR C0 C 0 9.738627 30.346128 -3.2656052 1 4293 1 +ATOM O O . THR C0 3 126 . 126 THR C0 O 0 8.655479 30.675354 -3.7626162 1 4294 1 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 0 11.898388 31.474586 -3.8423247 1 4295 1 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 0 11.22307 32.660713 -4.2602177 1 4296 1 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 0 13.226488 31.360603 -4.570985 1 4297 1 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 0 9.888098 30.032635 -1.9899548 1 4298 1 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 0 8.76238 30.09417 -1.0733633 1 4299 1 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 0 7.6105604 29.201546 -1.4832916 1 4300 1 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 0 6.451063 29.574905 -1.3036684 1 4301 1 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 0 7.9305654 28.034958 -2.037952 1 4302 1 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 0 6.8841753 27.11826 -2.4826179 1 4303 1 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 0 6.1778975 26.516201 -1.2641616 1 4304 1 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 0 6.8238583 25.998127 -0.35277563 1 4305 1 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 0 7.468628 26.007729 -3.3747258 1 4306 1 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 0 8.156984 26.624535 -4.5996904 1 4307 1 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 0 6.35031 25.044083 -3.816133 1 4308 1 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 0 8.927242 25.623636 -5.441286 1 4309 1 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 0 4.8566008 26.614183 -1.2794969 1 4310 1 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 0 4.0478573 26.084627 -0.19039103 1 4311 1 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 0 3.5959907 24.665241 -0.50363356 1 4312 1 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 0 3.792805 24.149332 -1.6143248 1 4313 1 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 0 2.8228736 26.974583 0.04405138 1 4314 1 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 0 3.1492128 28.462894 0.17729332 1 4315 1 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 0 4.0789084 28.739454 1.3534205 1 4316 1 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 0 4.3942566 30.224174 1.4649544 1 4317 1 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 0 5.3315754 30.499817 2.55281 1 4318 1 +ATOM N N . SER C0 3 130 . 130 SER C0 N 0 2.9877648 24.002857 0.48774728 1 4319 1 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 0 2.5613723 22.618774 0.32280785 1 4320 1 +ATOM C C . SER C0 3 130 . 130 SER C0 C 0 1.5196388 22.443626 -0.7838968 1 4321 1 +ATOM O O . SER C0 3 130 . 130 SER C0 O 0 1.4076903 21.354172 -1.3495545 1 4322 1 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 0 2.0202487 22.072334 1.6528491 1 4323 1 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 0 0.9151756 22.82793 2.0961463 1 4324 1 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 0 0.7628943 23.51849 -1.0991791 1 4325 1 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 0 -0.24001218 23.422714 -2.1495256 1 4326 1 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 0 0.33905953 23.725555 -3.532085 1 4327 1 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 0 -0.3950754 23.785282 -4.512477 1 4328 1 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 0 -1.4391385 24.34859 -1.8611428 1 4329 1 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 0 -1.0793402 25.82859 -1.8542261 1 4330 1 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 0 0.10275273 26.17839 -2.0909526 1 4331 1 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 0 -1.9867709 26.646387 -1.6144264 1 4332 1 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 0 1.647663 23.912403 -3.594472 1 4333 1 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 0 2.309306 24.156986 -4.8591394 1 4334 1 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 0 2.4273853 25.614168 -5.2528644 1 4335 1 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 0 2.9659529 25.914978 -6.3256874 1 4336 1 +ATOM N N . SER C0 3 133 . 133 SER C0 N 0 1.9331677 26.538952 -4.4436455 1 4337 1 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 0 2.0160494 27.959225 -4.754151 1 4338 1 +ATOM C C . SER C0 3 133 . 133 SER C0 C 0 3.3269515 28.549988 -4.254954 1 4339 1 +ATOM O O . SER C0 3 133 . 133 SER C0 O 0 3.9588993 28.009182 -3.3396406 1 4340 1 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 0 0.83058465 28.718014 -4.143318 1 4341 1 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 0 0.89006346 28.713367 -2.7323089 1 4342 1 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 0 3.7215836 29.645496 -4.8817616 1 4343 1 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 0 4.9542456 30.298632 -4.478962 1 4344 1 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 0 5.2920094 31.435991 -5.4202547 1 4345 1 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 0 4.4841886 31.833736 -6.259755 1 4346 1 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 0 6.491471 31.992819 -5.254333 1 4347 1 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 0 6.9756155 33.057808 -6.11943 1 4348 1 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 0 7.686349 32.45008 -7.3202286 1 4349 1 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 0 8.237694 31.350948 -7.2296867 1 4350 1 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 0 7.9321775 33.983406 -5.363785 1 4351 1 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 0 7.283958 34.75593 -4.2288938 1 4352 1 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 0 8.303334 35.679485 -3.5655336 1 4353 1 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 0 7.666032 36.487366 -2.441571 1 4354 1 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 0 8.659674 37.379387 -1.8016713 1 4355 1 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 0 7.648082 33.178085 -8.432617 1 4356 1 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 0 8.293173 32.67887 -9.638749 1 4357 1 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 0 8.990773 33.81311 -10.382231 1 4358 1 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 0 8.535986 34.95997 -10.336613 1 4359 1 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 0 7.2695966 32.01795 -10.555794 1 4360 1 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 0 10.06837 33.49135 -11.036957 1 4361 1 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 0 10.716747 34.446888 -11.913237 1 4362 1 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 0 11.397602 33.695404 -13.046925 1 4363 1 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 0 11.88876 32.58058 -12.863247 1 4364 1 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 0 11.708267 35.35688 -11.171387 1 4365 1 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 0 12.931866 34.69522 -10.583293 1 4366 1 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 0 13.786827 35.758057 -9.887539 1 4367 1 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 0 15.025787 35.143784 -9.257175 1 4368 1 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 0 15.834598 36.192497 -8.571377 1 4369 1 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 0 11.364327 34.32938 -14.209526 1 4370 1 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 0 12.013697 33.74858 -15.376219 1 4371 1 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 0 13.207397 34.62938 -15.7183275 1 4372 1 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 0 13.041571 35.81534 -16.021616 1 4373 1 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 0 11.037762 33.666668 -16.560051 1 4374 1 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 0 11.639648 32.9728 -17.777649 1 4375 1 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 0 10.660199 32.772133 -18.912811 1 4376 1 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 0 9.847909 33.680565 -19.176517 1 4377 1 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 0 10.684271 31.700735 -19.552765 1 4378 1 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 0 14.378 34.057987 -15.615791 1 4379 1 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 0 15.605384 34.789955 -15.88872 1 4380 1 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 0 15.954603 34.599926 -17.36382 1 4381 1 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 0 16.355862 33.514664 -17.783607 1 4382 1 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 0 16.75949 34.308388 -14.990236 1 4383 1 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 0 18.012714 35.145706 -15.242632 1 4384 1 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 0 16.350828 34.382202 -13.5220375 1 4385 1 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 0 15.738784 35.644722 -18.127335 1 4386 1 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 0 16.00246 35.610645 -19.558176 1 4387 1 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 0 17.319767 36.331192 -19.855888 1 4388 1 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 0 18.064043 36.672943 -18.9318 1 4389 1 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 0 14.83315 36.26123 -20.31138 1 4390 1 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 0 13.489159 35.55076 -20.127626 1 4391 1 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 0 12.323599 36.446808 -20.5154 1 4392 1 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 0 13.467931 34.25967 -20.934717 1 4393 1 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 0 17.607355 36.563816 -21.114477 1 4394 1 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 0 18.853043 37.244003 -21.471222 1 4395 1 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 0 18.780067 38.738407 -21.151443 1 4396 1 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 0 18.130259 39.498863 -21.869255 1 4397 1 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 0 19.184723 37.06024 -22.951202 1 4398 1 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 0 19.894976 35.76844 -23.304913 1 4399 1 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 0 18.931465 34.600647 -23.377205 1 4400 1 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 0 19.612663 33.385044 -23.984615 1 4401 1 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 0 18.661148 32.271614 -24.18003 1 4402 1 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 0 19.382896 39.11822 -20.047384 1 4403 1 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 0 19.449245 40.515137 -19.684517 1 4404 1 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 0 18.30916 41.07673 -18.862701 1 4405 1 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 0 18.383871 42.233646 -18.424026 1 4406 1 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 0 17.25822 40.317616 -18.652542 1 4407 1 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 0 16.144962 40.81172 -17.836063 1 4408 1 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 0 15.376965 39.664463 -17.210484 1 4409 1 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 0 15.560988 38.492535 -17.582539 1 4410 1 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 0 15.205398 41.716557 -18.654594 1 4411 1 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 0 14.509899 41.039856 -19.826565 1 4412 1 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 0 15.186408 40.809914 -21.023203 1 4413 1 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 0 13.17699 40.66751 -19.73827 1 4414 1 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 0 14.553232 40.213608 -22.095375 1 4415 1 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 0 12.533024 40.07617 -20.810884 1 4416 1 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 0 13.222572 39.845512 -21.98323 1 4417 1 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 0 12.592209 39.255596 -23.043186 1 4418 1 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 0 14.518231 40.00999 -16.27059 1 4419 1 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 0 13.769681 39.022484 -15.50668 1 4420 1 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 0 12.275793 39.351654 -15.512772 1 4421 1 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 0 11.890499 40.523247 -15.40554 1 4422 1 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 0 14.284416 38.968506 -14.046467 1 4423 1 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 0 13.436432 38.030273 -13.203854 1 4424 1 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 0 15.74604 38.55104 -14.008281 1 4425 1 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 0 11.461509 38.325592 -15.668263 1 4426 1 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 0 10.0142765 38.46248 -15.542601 1 4427 1 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 0 9.64086 37.829945 -14.2078905 1 4428 1 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 0 10.090363 36.719833 -13.899518 1 4429 1 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 0 9.278223 37.738914 -16.677418 1 4430 1 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 0 9.587847 38.189255 -18.107414 1 4431 1 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 0 8.719391 37.41502 -19.088615 1 4432 1 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 0 9.385858 39.685005 -18.276636 1 4433 1 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 0 8.840672 38.524445 -13.418438 1 4434 1 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 0 8.46022 38.03208 -12.107616 1 4435 1 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 0 6.966463 37.757614 -12.029234 1 4436 1 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 0 6.1686974 38.37539 -12.731909 1 4437 1 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 0 8.868868 39.03181 -11.022114 1 4438 1 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 0 10.365345 39.232063 -10.926796 1 4439 1 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 0 10.765523 40.12061 -9.76828 1 4440 1 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 0 11.312422 39.60514 -8.776959 1 4441 1 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 0 10.530696 41.33838 -9.8541 1 4442 1 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 0 6.6243167 36.80452 -11.17043 1 4443 1 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 0 5.218654 36.459496 -11.024366 1 4444 1 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 0 4.9808626 35.445663 -9.928804 1 4445 1 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 0 5.656474 35.467384 -8.903093 1 4446 1 +ATOM N N . THR C0 3 148 . 148 THR C0 N 0 4.010198 34.58609 -10.163136 1 4447 1 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 0 3.631069 33.610973 -9.152712 1 4448 1 +ATOM C C . THR C0 3 148 . 148 THR C0 C 0 3.5005338 32.202232 -9.73047 1 4449 1 +ATOM O O . THR C0 3 148 . 148 THR C0 O 0 3.3093226 32.026016 -10.937016 1 4450 1 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 0 2.2898831 33.98192 -8.48591 1 4451 1 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 0 1.2762895 34.053688 -9.488985 1 4452 1 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 0 2.387075 35.33276 -7.7750626 1 4453 1 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 0 3.63274 31.243748 -8.840521 1 4454 1 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 0 3.4411414 29.836294 -9.173442 1 4455 1 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 0 2.1847692 29.357584 -8.459347 1 4456 1 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 0 1.9827869 29.665154 -7.280568 1 4457 1 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 0 4.644612 29.015278 -8.7089405 1 4458 1 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 0 4.513892 27.49319 -8.766987 1 4459 1 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 0 5.6526403 26.84295 -7.9929514 1 4460 1 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 0 4.488029 27.01812 -10.217344 1 4461 1 +ATOM N N . THR C0 3 150 . 150 THR C0 N 0 1.3223377 28.663355 -9.169042 1 4462 1 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 0 0.17739004 27.999458 -8.565314 1 4463 1 +ATOM C C . THR C0 3 150 . 150 THR C0 C 0 0.35283744 26.515915 -8.859116 1 4464 1 +ATOM O O . THR C0 3 150 . 150 THR C0 O 0 1.3015497 26.111181 -9.5374975 1 4465 1 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 0 -1.1713792 28.488297 -9.144627 1 4466 1 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 0 -1.2630534 28.107967 -10.508459 1 4467 1 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 0 -1.3034008 30.003796 -9.015299 1 4468 1 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 0 -0.5509621 25.696724 -8.340759 1 4469 1 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 0 -0.4522577 24.262644 -8.549737 1 4470 1 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 0 -0.5516274 23.88087 -10.02718 1 4471 1 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 0 -0.07195546 22.8182 -10.4212675 1 4472 1 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 0 -1.5346935 23.537117 -7.749585 1 4473 1 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 0 -1.1657804 24.76667 -10.833271 1 4474 1 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 0 -1.3745492 24.437197 -12.234636 1 4475 1 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 0 -0.5418359 25.218277 -13.240108 1 4476 1 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 0 -0.3735324 24.768833 -14.375267 1 4477 1 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 0 -2.8556046 24.580448 -12.596237 1 4478 1 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 0 -3.462833 25.931604 -12.273445 1 4479 1 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 0 -4.9621468 25.966526 -12.497431 1 4480 1 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 0 -5.7340536 25.934505 -11.518454 1 4481 1 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 0 -5.3682823 26.00924 -13.666477 1 4482 1 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 0 -0.018994395 26.379885 -12.848051 1 4483 1 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 0 0.76285 27.146044 -13.812693 1 4484 1 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 0 1.6305048 28.221336 -13.17658 1 4485 1 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 0 1.4376259 28.594955 -12.016633 1 4486 1 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 0 -0.16930948 27.814693 -14.834255 1 4487 1 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 0 -1.0650555 28.898716 -14.224226 1 4488 1 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 0 -1.943914 29.534233 -15.284588 1 4489 1 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 0 -2.8682036 30.560055 -14.649802 1 4490 1 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 0 -3.7578397 31.177286 -15.6411295 1 4491 1 +ATOM N N . THR C0 3 154 . 154 THR C0 N 0 2.5694332 28.68985 -13.986504 1 4492 1 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 0 3.4199843 29.812275 -13.613385 1 4493 1 +ATOM C C . THR C0 3 154 . 154 THR C0 C 0 2.8552957 31.015007 -14.360625 1 4494 1 +ATOM O O . THR C0 3 154 . 154 THR C0 O 0 2.5825424 30.929867 -15.559341 1 4495 1 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 0 4.8833885 29.586506 -14.052263 1 4496 1 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 0 5.4059925 28.440393 -13.387205 1 4497 1 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 0 5.7459183 30.80165 -13.749241 1 4498 1 +ATOM N N . THR C0 3 155 . 155 THR C0 N 0 2.6386247 32.12741 -13.661448 1 4499 1 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 0 2.1354988 33.338455 -14.293674 1 4500 1 +ATOM C C . THR C0 3 155 . 155 THR C0 C 0 3.1425595 34.46138 -14.060722 1 4501 1 +ATOM O O . THR C0 3 155 . 155 THR C0 O 0 3.4038813 34.83888 -12.919783 1 4502 1 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 0 0.75951725 33.742683 -13.7261715 1 4503 1 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 0 -0.17468214 32.6856 -13.969903 1 4504 1 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 0 0.25053805 35.016403 -14.408718 1 4505 1 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 0 3.7181811 34.96816 -15.157385 1 4506 1 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 0 4.714246 36.029175 -15.094669 1 4507 1 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 0 4.0566688 37.304413 -15.607709 1 4508 1 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 0 3.4906936 37.31881 -16.7037 1 4509 1 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 0 5.9350705 35.654663 -15.934904 1 4510 1 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 0 6.583082 34.3394 -15.492479 1 4511 1 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 0 7.390524 33.71401 -16.616955 1 4512 1 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 0 7.4291444 34.54964 -14.247154 1 4513 1 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 0 4.13352 38.368942 -14.81815 1 4514 1 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 0 3.3841558 39.58354 -15.106992 1 4515 1 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 0 4.269785 40.80801 -15.363829 1 4516 1 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 0 5.254436 41.025875 -14.662436 1 4517 1 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 0 2.3999848 39.891247 -13.950153 1 4518 1 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 0 1.6463273 41.19229 -14.198289 1 4519 1 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 0 1.4231398 38.742214 -13.766674 1 4520 1 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 0 3.8864546 41.591988 -16.369736 1 4521 1 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 0 4.5489607 42.8572 -16.6638 1 4522 1 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 0 3.447903 43.916138 -16.676353 1 4523 1 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 0 2.4527712 43.771072 -17.401226 1 4524 1 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 0 5.267912 42.84382 -18.027401 1 4525 1 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 0 5.921902 44.19539 -18.289028 1 4526 1 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 0 6.2957983 41.72511 -18.079163 1 4527 1 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 0 3.5996342 44.94809 -15.878617 1 4528 1 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 0 2.6001863 46.00396 -15.792088 1 4529 1 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 0 3.1483483 47.32282 -16.328915 1 4530 1 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 0 4.291432 47.691376 -16.042793 1 4531 1 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 0 2.1295485 46.20446 -14.342731 1 4532 1 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 0 1.4015739 45.01171 -13.767029 1 4533 1 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 0 0.94575113 45.282986 -12.336414 1 4534 1 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 0 0.22088793 44.081886 -11.762777 1 4535 1 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 0 -0.1997588 44.314133 -10.361765 1 4536 1 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 0 2.3235373 48.022797 -17.106358 1 4537 1 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 0 2.6785865 49.33484 -17.635277 1 4538 1 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 0 1.3867111 50.151215 -17.705742 1 4539 1 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 0 0.5415791 49.887325 -18.556656 1 4540 1 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 0 3.3220391 49.225792 -19.007221 1 4541 1 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 0 3.673902 50.570984 -19.633884 1 4542 1 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 0 4.6087055 51.425064 -18.800901 1 4543 1 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 0 5.49197 50.884506 -18.096024 1 4544 1 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 0 4.4592447 52.666412 -18.834728 1 4545 1 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 0 1.2680956 51.126728 -16.806728 1 4546 1 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 0 0.061473425 51.928772 -16.754108 1 4547 1 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 0 -1.1553495 51.076054 -16.438068 1 4548 1 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 0 -1.1691108 50.352562 -15.442127 1 4549 1 +ATOM N N . THR C0 3 162 . 162 THR C0 N 0 -2.1544995 51.12905 -17.31551 1 4550 1 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 0 -3.3698332 50.34869 -17.127384 1 4551 1 +ATOM C C . THR C0 3 162 . 162 THR C0 C 0 -3.280897 48.950195 -17.73766 1 4552 1 +ATOM O O . THR C0 3 162 . 162 THR C0 O 0 -4.22521 48.15748 -17.624197 1 4553 1 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 0 -4.5845156 51.070995 -17.760925 1 4554 1 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 0 -4.3341312 51.265625 -19.153566 1 4555 1 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 0 -4.830566 52.43298 -17.11024 1 4556 1 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 0 -2.1437652 48.67325 -18.37779 1 4557 1 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 0 -1.9673929 47.410374 -19.091171 1 4558 1 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 0 -1.2176919 46.36863 -18.255537 1 4559 1 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 0 -0.20160379 46.675922 -17.639626 1 4560 1 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 0 -1.2315714 47.627613 -20.429165 1 4561 1 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 0 -1.073093 46.31276 -21.181149 1 4562 1 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 0 -1.9642808 48.648457 -21.289694 1 4563 1 +ATOM N N . THR C0 3 164 . 164 THR C0 N 0 -1.7427788 45.14155 -18.257767 1 4564 1 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 0 -1.0904255 44.022224 -17.586618 1 4565 1 +ATOM C C . THR C0 3 164 . 164 THR C0 C 0 -0.9351925 42.892433 -18.593987 1 4566 1 +ATOM O O . THR C0 3 164 . 164 THR C0 O 0 -1.9259927 42.42774 -19.161636 1 4567 1 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 0 -1.9066095 43.534187 -16.37538 1 4568 1 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 0 -2.011055 44.58721 -15.413191 1 4569 1 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 0 -1.2400386 42.33268 -15.7235565 1 4570 1 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 0 0.31263274 42.481728 -18.827328 1 4571 1 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 0 0.5899606 41.345264 -19.695967 1 4572 1 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 0 0.92561615 40.163246 -18.806866 1 4573 1 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 0 1.7528903 40.281197 -17.899385 1 4574 1 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 0 1.756507 41.658165 -20.63779 1 4575 1 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 0 2.1583211 40.56779 -21.619768 1 4576 1 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 0 2.5331717 41.161304 -22.976994 1 4577 1 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 0 3.3065953 39.719883 -21.062529 1 4578 1 +ATOM N N . SER C0 3 166 . 166 SER C0 N 0 0.26933384 39.02951 -19.042732 1 4579 1 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 0 0.4988042 37.824306 -18.254284 1 4580 1 +ATOM C C . SER C0 3 166 . 166 SER C0 C 0 0.99757963 36.69889 -19.14931 1 4581 1 +ATOM O O . SER C0 3 166 . 166 SER C0 O 0 0.3021248 36.291702 -20.076876 1 4582 1 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 0 -0.7845893 37.397472 -17.541906 1 4583 1 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 0 -1.2266939 38.40502 -16.644966 1 4584 1 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 0 2.1934717 36.228336 -18.85749 1 4585 1 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 0 2.756915 35.095245 -19.58244 1 4586 1 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 0 2.5538378 33.861023 -18.71581 1 4587 1 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 0 3.0374663 33.807014 -17.57576 1 4588 1 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 0 4.2549877 35.306293 -19.853846 1 4589 1 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 0 4.925916 34.118774 -20.520407 1 4590 1 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 0 6.412259 34.37485 -20.71653 1 4591 1 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 0 7.0984077 33.15554 -21.313475 1 4592 1 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 0 8.5276 33.384773 -21.497364 1 4593 1 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 0 1.8205626 32.897545 -19.232227 1 4594 1 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 0 1.5204856 31.67637 -18.493397 1 4595 1 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 0 2.3238664 30.497189 -19.023605 1 4596 1 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 0 2.4115229 30.288464 -20.230902 1 4597 1 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 0 0.02732281 31.352915 -18.585491 1 4598 1 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 0 -0.83535886 32.459476 -18.024517 1 4599 1 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 0 -0.5939814 32.94133 -16.915178 1 4600 1 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 0 -1.8455763 32.879227 -18.766396 1 4601 1 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 0 2.9286582 29.751678 -18.107029 1 4602 1 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 0 3.6514254 28.534897 -18.45634 1 4603 1 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 0 2.9529607 27.40087 -17.718185 1 4604 1 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 0 3.011066 27.322548 -16.485432 1 4605 1 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 0 5.141242 28.609869 -18.046705 1 4606 1 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 0 5.802022 29.838428 -18.680939 1 4607 1 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 0 5.869195 27.334766 -18.481613 1 4608 1 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 0 7.2250214 30.090076 -18.21492 1 4609 1 +ATOM N N . SER C0 3 170 . 170 SER C0 N 0 2.2646852 26.54108 -18.454248 1 4610 1 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 0 1.5193619 25.44381 -17.85401 1 4611 1 +ATOM C C . SER C0 3 170 . 170 SER C0 C 0 2.4641051 24.35546 -17.344196 1 4612 1 +ATOM O O . SER C0 3 170 . 170 SER C0 O 0 3.6634045 24.387142 -17.606794 1 4613 1 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 0 0.54106635 24.849983 -18.870121 1 4614 1 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 0 1.2445577 24.147121 -19.878895 1 4615 1 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 0 1.9173329 23.386765 -16.609913 1 4616 1 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 0 2.7231574 22.282772 -16.105328 1 4617 1 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 0 3.3462925 21.486725 -17.247198 1 4618 1 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 0 4.4014287 20.880474 -17.080616 1 4619 1 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 0 1.8772376 21.362915 -15.217491 1 4620 1 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 0 1.6826744 21.888855 -13.805683 1 4621 1 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 0 1.1037607 20.805813 -12.899755 1 4622 1 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 0 1.0866575 21.251146 -11.445473 1 4623 1 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 0 0.632036 20.176035 -10.536418 1 4624 1 +ATOM N N . SER C0 3 172 . 172 SER C0 N 0 2.683088 21.497429 -18.407776 1 4625 1 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 0 3.1981802 20.787163 -19.572151 1 4626 1 +ATOM C C . SER C0 3 172 . 172 SER C0 C 0 4.2986937 21.576881 -20.275763 1 4627 1 +ATOM O O . SER C0 3 172 . 172 SER C0 O 0 4.938974 21.066566 -21.197817 1 4628 1 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 0 2.071579 20.487263 -20.564947 1 4629 1 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 0 1.5681777 21.678635 -21.130894 1 4630 1 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 0 4.509282 22.818247 -19.845812 1 4631 1 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 0 5.5153656 23.670128 -20.452711 1 4632 1 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 0 4.988476 24.552135 -21.56042 1 4633 1 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 0 5.7413926 25.33581 -22.144371 1 4634 1 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 0 3.69042 24.451069 -21.860386 1 4635 1 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 0 3.094546 25.24887 -22.92575 1 4636 1 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 0 2.9377394 26.696938 -22.472443 1 4637 1 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 0 2.462973 26.965862 -21.367386 1 4638 1 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 0 1.7372994 24.677097 -23.343174 1 4639 1 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 0 1.1310592 25.38659 -24.540327 1 4640 1 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 0 -0.15839508 24.75222 -25.017204 1 4641 1 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 0 -0.33786294 23.535042 -24.803661 1 4642 1 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 0 -0.991485 25.457794 -25.616377 1 4643 1 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 0 3.3279104 27.613459 -23.35696 1 4644 1 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 0 3.2683644 29.037905 -23.056458 1 4645 1 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 0 2.0376203 29.674522 -23.700096 1 4646 1 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 0 1.6853509 29.358944 -24.8402 1 4647 1 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 0 4.540826 29.767551 -23.543676 1 4648 1 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 0 4.4065995 31.27971 -23.366379 1 4649 1 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 0 5.7649765 29.249353 -22.80576 1 4650 1 +ATOM N N . SER C0 3 176 . 176 SER C0 N 0 1.3806844 30.552013 -22.968687 1 4651 1 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 0 0.2812042 31.34982 -23.498032 1 4652 1 +ATOM C C . SER C0 3 176 . 176 SER C0 C 0 0.41531646 32.73601 -22.88921 1 4653 1 +ATOM O O . SER C0 3 176 . 176 SER C0 O 0 0.94313836 32.89161 -21.782537 1 4654 1 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 0 -1.087904 30.743282 -23.162903 1 4655 1 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 0 -1.3309584 30.76427 -21.779705 1 4656 1 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 0 -0.006476923 33.73987 -23.631298 1 4657 1 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 0 0.11492009 35.10974 -23.148176 1 4658 1 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 0 -1.2231989 35.825363 -23.295097 1 4659 1 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 0 -1.9033666 35.686073 -24.3177 1 4660 1 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 0 1.2099128 35.89177 -23.909996 1 4661 1 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 0 1.4026213 37.282417 -23.31709 1 4662 1 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 0 2.5288801 35.124443 -23.887535 1 4663 1 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 0 -1.6044741 36.57296 -22.290668 1 4664 1 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 0 -2.8396297 37.337246 -22.325623 1 4665 1 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 0 -2.5558727 38.76218 -21.873926 1 4666 1 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 0 -1.5605761 39.02955 -21.19588 1 4667 1 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 0 -3.9318333 36.696 -21.456055 1 4668 1 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 0 -3.5513208 36.502724 -20.004425 1 4669 1 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 0 -4.5680046 35.675774 -19.243706 1 4670 1 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 0 -5.061495 34.67678 -19.799261 1 4671 1 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 0 -4.8644247 36.01306 -18.086132 1 4672 1 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 0 -3.4475052 39.667206 -22.278065 1 4673 1 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 0 -3.2861128 41.07413 -21.947222 1 4674 1 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 0 -4.6042347 41.64721 -21.439907 1 4675 1 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 0 -5.658627 41.36521 -22.0057 1 4676 1 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 0 -2.8104613 41.85434 -23.181765 1 4677 1 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 0 -2.4789495 43.34201 -23.019524 1 4678 1 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 0 -1.3218286 43.728302 -23.914043 1 4679 1 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 0 -3.6978996 44.223 -23.297508 1 4680 1 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 0 -4.528905 42.42787 -20.39096 1 4681 1 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 0 -5.692277 43.094555 -19.836311 1 4682 1 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 0 -5.3856115 44.58616 -19.694271 1 4683 1 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 0 -4.31022 44.955833 -19.237068 1 4684 1 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 0 -6.086835 42.50711 -18.48019 1 4685 1 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 0 -7.2267933 43.27108 -17.831099 1 4686 1 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 0 -7.003826 44.028034 -16.88205 1 4687 1 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 0 -8.429687 43.103638 -18.315304 1 4688 1 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 0 -6.3156886 45.410736 -20.137642 1 4689 1 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 0 -6.1552672 46.85632 -20.046768 1 4690 1 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 0 -7.408683 47.430378 -19.383041 1 4691 1 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 0 -8.514858 47.24421 -19.887283 1 4692 1 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 0 -5.9654694 47.46122 -21.447098 1 4693 1 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 0 -5.5627437 48.931114 -21.4194 1 4694 1 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 0 -5.53846 49.53752 -20.321896 1 4695 1 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 0 -5.2745104 49.49405 -22.496868 1 4696 1 +ATOM N N . THR C0 3 182 . 182 THR C0 N 0 -7.2294426 48.109154 -18.262321 1 4697 1 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 0 -8.357385 48.677845 -17.532192 1 4698 1 +ATOM C C . THR C0 3 182 . 182 THR C0 C 0 -8.80641 50.030148 -18.090408 1 4699 1 +ATOM O O . THR C0 3 182 . 182 THR C0 O 0 -9.7844715 50.614876 -17.60918 1 4700 1 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 0 -8.023749 48.836716 -16.031038 1 4701 1 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 0 -6.8521643 49.640656 -15.895187 1 4702 1 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 0 -7.783949 47.481136 -15.3909 1 4703 1 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 0 -8.086092 50.54635 -19.107986 1 4704 1 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 0 -8.452524 51.814034 -19.745098 1 4705 1 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 0 -9.849249 51.661392 -20.349438 1 4706 1 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 0 -10.092388 50.70751 -21.100761 1 4707 1 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 0 -7.434311 52.16644 -20.82923 1 4708 1 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 0 -7.546909 53.604424 -21.312977 1 4709 1 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 0 -8.674295 54.138123 -21.4001 1 4710 1 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 0 -6.4968157 54.208286 -21.627876 1 4711 1 +ATOM N N . SER C0 3 184 . 184 SER C0 N 0 -10.767138 52.586987 -20.021395 1 4712 1 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 0 -12.14286 52.479565 -20.501072 1 4713 1 +ATOM C C . SER C0 3 184 . 184 SER C0 C 0 -12.369101 53.16474 -21.848782 1 4714 1 +ATOM O O . SER C0 3 184 . 184 SER C0 O 0 -13.455193 53.053806 -22.42524 1 4715 1 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 0 -13.110729 53.068314 -19.462738 1 4716 1 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 0 -12.808456 54.430397 -19.212982 1 4717 1 +ATOM N N . SER C0 3 185 . 185 SER C0 N 0 -11.365715 53.879017 -22.373524 1 4718 1 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 0 -11.489185 54.57368 -23.648293 1 4719 1 +ATOM C C . SER C0 3 185 . 185 SER C0 C 0 -11.176558 53.643303 -24.815191 1 4720 1 +ATOM O O . SER C0 3 185 . 185 SER C0 O 0 -10.0974 53.048367 -24.863514 1 4721 1 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 0 -10.563311 55.787693 -23.68127 1 4722 1 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 0 -10.540016 56.378548 -24.975735 1 4723 1 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 0 -12.102751 53.549255 -25.772186 1 4724 1 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 0 -11.905935 52.688198 -26.933537 1 4725 1 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 0 -10.727655 53.15059 -27.785286 1 4726 1 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 0 -10.123706 52.348186 -28.502428 1 4727 1 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 0 -13.1837225 52.652893 -27.77769 1 4728 1 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 0 -10.410517 54.437626 -27.727665 1 4729 1 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 0 -9.329832 54.99169 -28.529884 1 4730 1 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 0 -7.9476376 54.6108 -28.006285 1 4731 1 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 0 -6.9806166 54.612144 -28.76703 1 4732 1 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 0 -9.462423 56.517433 -28.600292 1 4733 1 +ATOM N N . THR C0 3 188 . 188 THR C0 N 0 -7.8471003 54.26017 -26.731346 1 4734 1 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 0 -6.5568333 53.94777 -26.130163 1 4735 1 +ATOM C C . THR C0 3 188 . 188 THR C0 C 0 -6.471963 52.5598 -25.49856 1 4736 1 +ATOM O O . THR C0 3 188 . 188 THR C0 O 0 -5.3678675 52.080585 -25.215313 1 4737 1 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 0 -6.1914163 54.99489 -25.063038 1 4738 1 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 0 -7.223376 55.02883 -24.087326 1 4739 1 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 0 -6.032855 56.384266 -25.689869 1 4740 1 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 0 -7.610049 51.90911 -25.316772 1 4741 1 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 0 -7.6153865 50.596367 -24.664055 1 4742 1 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 0 -6.9561357 49.530647 -25.54366 1 4743 1 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 0 -7.3159323 49.364365 -26.718147 1 4744 1 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 0 -9.0536785 50.17417 -24.319656 1 4745 1 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 0 -9.129536 48.8506 -23.57426 1 4746 1 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 0 -10.5587435 48.56818 -23.126848 1 4747 1 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 0 -10.601524 47.295918 -22.293278 1 4748 1 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 0 -11.952469 47.05679 -21.752419 1 4749 1 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 0 -6.0006332 48.837303 -24.980732 1 4750 1 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 0 -5.2937336 47.75354 -25.685226 1 4751 1 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 0 -6.006885 46.43294 -25.496716 1 4752 1 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 0 -6.434208 46.110176 -24.388262 1 4753 1 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 0 -3.844623 47.621986 -25.200054 1 4754 1 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 0 -2.8965106 48.69992 -25.717358 1 4755 1 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 0 -3.0653763 50.002228 -24.950703 1 4756 1 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 0 -2.043466 51.031277 -25.426292 1 4757 1 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 0 -2.2440195 52.316692 -24.692738 1 4758 1 +ATOM N N . THR C0 3 191 . 191 THR C0 N 0 -6.142312 45.685696 -26.571346 1 4759 1 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 0 -6.6707945 44.32703 -26.52245 1 4760 1 +ATOM C C . THR C0 3 191 . 191 THR C0 C 0 -5.654685 43.44728 -27.23927 1 4761 1 +ATOM O O . THR C0 3 191 . 191 THR C0 O 0 -4.783101 43.948402 -27.956684 1 4762 1 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 0 -8.051983 44.205704 -27.211708 1 4763 1 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 0 -7.9332952 44.593327 -28.575567 1 4764 1 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 0 -9.085054 45.094784 -26.520828 1 4765 1 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 0 -5.7347527 42.149254 -27.024786 1 4766 1 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 0 -4.7595444 41.26475 -27.656332 1 4767 1 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 0 -5.336347 39.88486 -27.920694 1 4768 1 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 0 -6.244904 39.43575 -27.229431 1 4769 1 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 0 -3.5147069 41.148827 -26.789356 1 4770 1 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 0 -4.7959986 39.24193 -28.944881 1 4771 1 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 0 -5.1923475 37.89224 -29.318811 1 4772 1 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 0 -3.938232 37.02437 -29.351473 1 4773 1 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 0 -2.9217412 37.41426 -29.921335 1 4774 1 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 0 -5.8851113 37.88597 -30.679377 1 4775 1 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 0 -4.0409117 35.865303 -28.722336 1 4776 1 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 0 -2.9087055 34.946884 -28.661274 1 4777 1 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 0 -3.052902 33.83153 -29.679823 1 4778 1 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 0 -4.1333466 33.22039 -29.792734 1 4779 1 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 0 -2.7772453 34.344078 -27.258108 1 4780 1 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 0 -1.7513885 33.280197 -27.103546 1 4781 1 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 0 -1.9874119 31.94166 -26.901587 1 4782 1 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 0 -0.3276924 33.427418 -27.131926 1 4783 1 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 0 -0.7959315 31.272408 -26.778648 1 4784 1 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 0 0.23152786 32.14766 -26.929745 1 4785 1 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 0 0.5229853 34.532024 -27.319458 1 4786 1 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 0 1.6164628 31.94202 -26.895203 1 4787 1 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 0 1.8915308 34.326416 -27.282768 1 4788 1 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 0 2.4202042 33.04052 -27.08115 1 4789 1 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 0 -2.0127392 33.572502 -30.42075 1 4790 1 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 0 -1.9755096 32.48201 -31.393854 1 4791 1 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 0 -0.91843665 31.490662 -30.911812 1 4792 1 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 0 0.2786963 31.754055 -31.037075 1 4793 1 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 0 -1.6403773 33.01342 -32.79115 1 4794 1 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 0 -1.7216516 31.935688 -33.85382 1 4795 1 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 0 -1.3777361 30.77999 -33.61194 1 4796 1 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 0 -2.1683435 32.30433 -35.05555 1 4797 1 +ATOM N N . SER C0 3 196 . 196 SER C0 N 0 -1.3762221 30.384031 -30.342335 1 4798 1 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 0 -0.45388287 29.394444 -29.789215 1 4799 1 +ATOM C C . SER C0 3 196 . 196 SER C0 C 0 0.38888705 28.712389 -30.854921 1 4800 1 +ATOM O O . SER C0 3 196 . 196 SER C0 O 0 1.4943726 28.258022 -30.574738 1 4801 1 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 0 -1.2222619 28.350718 -28.979446 1 4802 1 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 0 -2.1441479 27.66003 -29.791786 1 4803 1 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 0 -0.13145769 28.63261 -32.082813 1 4804 1 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 0 0.60257894 27.993132 -33.156616 1 4805 1 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 0 1.8650792 28.738817 -33.543964 1 4806 1 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 0 2.8687427 28.127243 -33.909515 1 4807 1 +ATOM N N . THR C0 3 198 . 198 THR C0 N 0 1.8201323 30.075232 -33.46314 1 4808 1 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 0 2.9657192 30.901552 -33.805626 1 4809 1 +ATOM C C . THR C0 3 198 . 198 THR C0 C 0 3.5987604 31.567196 -32.582245 1 4810 1 +ATOM O O . THR C0 3 198 . 198 THR C0 O 0 4.5816026 32.301094 -32.715446 1 4811 1 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 0 2.5668921 31.995363 -34.816444 1 4812 1 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 0 1.523309 32.796337 -34.253166 1 4813 1 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 0 2.0749984 31.393322 -36.128693 1 4814 1 +ATOM N N . SER C0 3 199 . 199 SER C0 N 0 3.0386593 31.32186 -31.42217 1 4815 1 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 0 3.5078428 31.920418 -30.172777 1 4816 1 +ATOM C C . SER C0 3 199 . 199 SER C0 C 0 3.5381486 33.437984 -30.299458 1 4817 1 +ATOM O O . SER C0 3 199 . 199 SER C0 O 0 4.4965744 34.093407 -29.901033 1 4818 1 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 0 4.884558 31.388376 -29.79924 1 4819 1 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 0 4.849027 29.992514 -29.601093 1 4820 1 +ATOM N N . THR C0 3 200 . 200 THR C0 N 0 2.4638615 33.973816 -30.864979 1 4821 1 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 0 2.3906977 35.397797 -31.142313 1 4822 1 +ATOM C C . THR C0 3 200 . 200 THR C0 C 0 1.2140156 36.065437 -30.433947 1 4823 1 +ATOM O O . THR C0 3 200 . 200 THR C0 O 0 0.088211484 35.573315 -30.494122 1 4824 1 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 0 2.2630582 35.650787 -32.656647 1 4825 1 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 0 3.3818061 35.074455 -33.32251 1 4826 1 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 0 2.1909127 37.140358 -32.976677 1 4827 1 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 0 1.4994872 37.205917 -29.79774 1 4828 1 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 0 0.47134644 38.01932 -29.174942 1 4829 1 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 0 0.29438233 39.25048 -30.05509 1 4830 1 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 0 1.2350863 40.02776 -30.230064 1 4831 1 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 0 0.86333597 38.454227 -27.768654 1 4832 1 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 0 -0.23429336 39.196655 -26.981663 1 4833 1 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 0 0.35525787 40.019573 -25.853624 1 4834 1 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 0 -1.256057 38.20221 -26.45929 1 4835 1 +ATOM N N . THR C0 3 202 . 202 THR C0 N 0 -0.8892316 39.401085 -30.629097 1 4836 1 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 0 -1.1551151 40.537865 -31.494122 1 4837 1 +ATOM C C . THR C0 3 202 . 202 THR C0 C 0 -1.9412781 41.579765 -30.699398 1 4838 1 +ATOM O O . THR C0 3 202 . 202 THR C0 O 0 -3.059764 41.309742 -30.247517 1 4839 1 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 0 -1.950701 40.12211 -32.742596 1 4840 1 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 0 -1.1896474 39.15863 -33.46983 1 4841 1 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 0 -2.2412796 41.323463 -33.641705 1 4842 1 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 0 -1.3486779 42.75689 -30.539906 1 4843 1 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 0 -1.9690118 43.82155 -29.774231 1 4844 1 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 0 -2.7695594 44.728333 -30.706741 1 4845 1 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 0 -2.2760417 45.12268 -31.769772 1 4846 1 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 0 -0.92087865 44.645935 -28.995888 1 4847 1 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 0 -0.16620041 43.716915 -28.032047 1 4848 1 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 0 -1.5820765 45.801743 -28.231358 1 4849 1 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 0 0.97311 44.39513 -27.284975 1 4850 1 +ATOM N N . THR C0 3 204 . 204 THR C0 N 0 -3.9844499 45.071476 -30.29043 1 4851 1 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 0 -4.883605 45.893898 -31.084633 1 4852 1 +ATOM C C . THR C0 3 204 . 204 THR C0 C 0 -5.3550043 47.09985 -30.271248 1 4853 1 +ATOM O O . THR C0 3 204 . 204 THR C0 O 0 -5.6431327 46.96827 -29.078354 1 4854 1 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 0 -6.103185 45.080994 -31.542233 1 4855 1 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 0 -5.6580024 43.99788 -32.362015 1 4856 1 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 0 -7.084008 45.942364 -32.337692 1 4857 1 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 0 -5.4209824 48.261803 -30.928068 1 4858 1 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 0 -5.9236584 49.479813 -30.307507 1 4859 1 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 0 -6.884173 50.142967 -31.29314 1 4860 1 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 0 -6.5419483 50.350296 -32.457653 1 4861 1 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 0 -4.7931366 50.465446 -29.953564 1 4862 1 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 0 -5.3778043 51.73272 -29.325224 1 4863 1 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 0 -3.7911592 49.82361 -29.013746 1 4864 1 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 0 -8.073063 50.444214 -30.85362 1 4865 1 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 0 -9.090965 51.086212 -31.678234 1 4866 1 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 0 -9.286094 50.35367 -33.010025 1 4867 1 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 0 -9.27871 50.97245 -34.09084 1 4868 1 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 0 -8.722563 52.55671 -31.90867 1 4869 1 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 0 -9.901796 53.38495 -32.37683 1 4870 1 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 0 -11.053172 53.03029 -32.13337 1 4871 1 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 0 -9.630132 54.504177 -33.04883 1 4872 1 +ATOM N N . SER C0 3 207 . 207 SER C0 N 0 -9.427416 49.05067 -32.94307 1 4873 1 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 0 -9.666991 48.163963 -34.08441 1 4874 1 +ATOM C C . SER C0 3 207 . 207 SER C0 C 0 -8.498373 48.06224 -35.057587 1 4875 1 +ATOM O O . SER C0 3 207 . 207 SER C0 O 0 -8.663265 47.52852 -36.1595 1 4876 1 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 0 -10.9330435 48.58436 -34.84201 1 4877 1 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 0 -12.058804 48.551167 -33.98297 1 4878 1 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 0 -7.3413286 48.552284 -34.676247 1 4879 1 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 0 -6.1588855 48.4494 -35.522938 1 4880 1 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 0 -5.072893 47.65349 -34.81864 1 4881 1 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 0 -4.7706223 47.915108 -33.646675 1 4882 1 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 0 -5.6096478 49.842743 -35.866196 1 4883 1 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 0 -6.4921865 50.674084 -36.791153 1 4884 1 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 0 -5.795706 51.98422 -37.14563 1 4885 1 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 0 -6.6177287 52.80768 -38.127125 1 4886 1 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 0 -5.9178405 54.046814 -38.49239 1 4887 1 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 0 -4.509285 46.710953 -35.55671 1 4888 1 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 0 -3.3863993 45.951523 -35.00565 1 4889 1 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 0 -2.195561 46.903687 -34.90067 1 4890 1 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 0 -1.9311693 47.67513 -35.82988 1 4891 1 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 0 -3.0393763 44.768936 -35.907623 1 4892 1 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 0 -4.1285 43.7207 -35.98763 1 4893 1 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 0 -3.7276132 42.62322 -36.972343 1 4894 1 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 0 -4.8517118 41.611416 -37.124207 1 4895 1 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 0 -4.520098 40.57793 -38.133286 1 4896 1 +ATOM N N . THR C0 3 210 . 210 THR C0 N 0 -1.5032905 46.863476 -33.78086 1 4897 1 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 0 -0.36960784 47.75624 -33.587624 1 4898 1 +ATOM C C . THR C0 3 210 . 210 THR C0 C 0 0.9672888 47.03385 -33.495605 1 4899 1 +ATOM O O . THR C0 3 210 . 210 THR C0 O 0 1.9627838 47.526447 -34.02823 1 4900 1 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 0 -0.5411209 48.622543 -32.32508 1 4901 1 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 0 -0.65473247 47.77275 -31.18555 1 4902 1 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 0 -1.7823267 49.496883 -32.43148 1 4903 1 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 0 0.994966 45.902023 -32.83259 1 4904 1 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 0 2.2517185 45.167507 -32.645355 1 4905 1 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 0 2.03428 43.671707 -32.55767 1 4906 1 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 0 0.95712996 43.213356 -32.161507 1 4907 1 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 0 2.9650016 45.615276 -31.355423 1 4908 1 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 0 3.3317218 47.08425 -31.292896 1 4909 1 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 0 3.936485 47.4386 -29.945362 1 4910 1 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 0 4.233798 48.93063 -29.835976 1 4911 1 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 0 2.996211 49.702095 -29.71635 1 4912 1 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 0 3.062912 42.94831 -32.915676 1 4913 1 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 0 3.1173878 41.50456 -32.712543 1 4914 1 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 0 4.269288 41.240166 -31.757263 1 4915 1 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 0 5.400464 41.65995 -32.01196 1 4916 1 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 0 3.3757474 40.771324 -34.03235 1 4917 1 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 0 2.1135817 40.356873 -34.753212 1 4918 1 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 0 1.0099385 40.71881 -34.298813 1 4919 1 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 0 2.2339716 39.664986 -35.790382 1 4920 1 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 0 3.9784565 40.5567 -30.66708 1 4921 1 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 0 5.019462 40.123924 -29.743927 1 4922 1 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 0 5.1484823 38.620186 -29.931984 1 4923 1 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 0 4.16494 37.885593 -29.77169 1 4924 1 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 0 4.6533775 40.42903 -28.28865 1 4925 1 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 0 4.6582565 41.898933 -27.85739 1 4926 1 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 0 4.1044445 42.01142 -26.438429 1 4927 1 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 0 6.0565467 42.476616 -27.918613 1 4928 1 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 0 6.3226485 38.163845 -30.312725 1 4929 1 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 0 6.5393667 36.7363 -30.545088 1 4930 1 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 0 7.4109244 36.181046 -29.418125 1 4931 1 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 0 8.512356 36.67997 -29.175938 1 4932 1 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 0 7.1969357 36.469547 -31.912226 1 4933 1 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 0 7.396928 34.972397 -32.118813 1 4934 1 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 0 6.3456407 37.058193 -33.03778 1 4935 1 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 0 6.896817 35.16394 -28.747322 1 4936 1 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 0 7.6169686 34.510754 -27.650665 1 4937 1 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 0 8.249837 33.25511 -28.240444 1 4938 1 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 0 7.5900164 32.220947 -28.37932 1 4939 1 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 0 6.6546407 34.201775 -26.498722 1 4940 1 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 0 6.106594 35.44497 -25.839909 1 4941 1 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 0 5.155871 36.222816 -26.475357 1 4942 1 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 0 6.5689864 35.85125 -24.601007 1 4943 1 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 0 4.67303 37.38256 -25.886604 1 4944 1 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 0 6.0870333 37.0041 -24.00513 1 4945 1 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 0 5.137674 37.776535 -24.651077 1 4946 1 +ATOM N N . THR C0 3 216 . 216 THR C0 N 0 9.507615 33.355923 -28.59494 1 4947 1 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 0 10.194477 32.314705 -29.362993 1 4948 1 +ATOM C C . THR C0 3 216 . 216 THR C0 C 0 10.561266 31.063795 -28.548166 1 4949 1 +ATOM O O . THR C0 3 216 . 216 THR C0 O 0 10.572996 31.08323 -27.320173 1 4950 1 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 0 11.470355 32.87023 -30.018505 1 4951 1 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 0 12.470761 33.044624 -29.009615 1 4952 1 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 0 11.202195 34.204094 -30.710459 1 4953 1 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 0 10.879785 30.011017 -29.297144 1 4954 1 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 0 11.302008 28.760117 -28.68098 1 4955 1 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 0 12.685682 28.891949 -28.040442 1 4956 1 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 0 13.069456 28.060059 -27.224823 1 4957 1 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 0 11.315915 27.637491 -29.722336 1 4958 1 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 0 9.930616 27.292328 -30.250309 1 4959 1 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 0 10.004061 26.164337 -31.286522 1 4960 1 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 0 8.615034 25.815002 -31.806023 1 4961 1 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 0 8.665726 24.727556 -32.80462 1 4962 1 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 0 13.422416 29.927666 -28.398232 1 4963 1 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 0 14.73428 30.195469 -27.829533 1 4964 1 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 0 14.622399 31.03706 -26.56015 1 4965 1 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 0 15.621742 31.50864 -26.039656 1 4966 1 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 0 15.631804 30.920387 -28.836735 1 4967 1 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 0 15.966682 30.094563 -30.0786 1 4968 1 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 0 14.831057 30.015587 -31.083042 1 4969 1 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 0 14.758578 29.017586 -31.813885 1 4970 1 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 0 13.992027 30.954807 -31.132748 1 4971 1 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 0 13.401564 31.22704 -26.10114 1 4972 1 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 0 13.098844 32.004753 -24.899763 1 4973 1 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 0 13.515093 33.465202 -25.027433 1 4974 1 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 0 14.075357 34.061134 -24.117428 1 4975 1 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 0 13.722002 31.357698 -23.657438 1 4976 1 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 0 13.120537 30.008358 -23.376266 1 4977 1 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 0 11.899149 29.877062 -23.273119 1 4978 1 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 0 13.957656 28.989779 -23.261301 1 4979 1 +ATOM N N . THR C0 3 220 . 220 THR C0 N 0 13.248119 34.010956 -26.219086 1 4980 1 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 0 13.451498 35.43023 -26.468414 1 4981 1 +ATOM C C . THR C0 3 220 . 220 THR C0 C 0 12.102623 36.00083 -26.87333 1 4982 1 +ATOM O O . THR C0 3 220 . 220 THR C0 O 0 11.188492 35.260708 -27.259598 1 4983 1 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 0 14.47629 35.692524 -27.596176 1 4984 1 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 0 14.014224 35.091866 -28.806705 1 4985 1 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 0 15.848818 35.147346 -27.234985 1 4986 1 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 0 11.97212 37.322464 -26.772284 1 4987 1 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 0 10.74927 37.98719 -27.18188 1 4988 1 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 0 11.114525 38.99585 -28.265902 1 4989 1 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 0 12.071049 39.757286 -28.104992 1 4990 1 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 0 10.071814 38.72828 -26.004732 1 4991 1 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 0 9.842134 37.770966 -24.838055 1 4992 1 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 0 8.743792 39.354855 -26.456459 1 4993 1 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 0 9.388025 38.465023 -23.557598 1 4994 1 +ATOM N N . THR C0 3 222 . 222 THR C0 N 0 10.365725 38.97323 -29.363487 1 4995 1 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 0 10.601301 39.94302 -30.426361 1 4996 1 +ATOM C C . THR C0 3 222 . 222 THR C0 C 0 9.341272 40.774887 -30.619154 1 4997 1 +ATOM O O . THR C0 3 222 . 222 THR C0 O 0 8.229486 40.323288 -30.316347 1 4998 1 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 0 10.975617 39.271988 -31.76009 1 4999 1 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 0 9.876007 38.490395 -32.22407 1 5000 1 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 0 12.200987 38.396328 -31.611696 1 5001 1 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 0 9.5268 41.989452 -31.106716 1 5002 1 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 0 8.39613 42.874527 -31.357475 1 5003 1 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 0 8.49991 43.404026 -32.788002 1 5004 1 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 0 9.593846 43.68988 -33.280228 1 5005 1 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 0 8.343231 44.04883 -30.343348 1 5006 1 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 0 7.091673 44.90985 -30.595188 1 5007 1 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 0 9.592772 44.903965 -30.418217 1 5008 1 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 0 7.3590355 43.487633 -33.46028 1 5009 1 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 0 7.3005753 44.029167 -34.814774 1 5010 1 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 0 6.056175 44.896484 -34.93207 1 5011 1 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 0 4.98938 44.51912 -34.431168 1 5012 1 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 0 7.2821836 42.906662 -35.85077 1 5013 1 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 0 7.4450836 43.41291 -37.2787 1 5014 1 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 0 7.674697 42.308826 -38.285465 1 5015 1 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 0 7.4705563 41.136715 -37.998756 1 5016 1 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 0 8.114841 42.680527 -39.49257 1 5017 1 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 0 6.2045984 46.053215 -35.60537 1 5018 1 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 0 5.1175733 47.016335 -35.73796 1 5019 1 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 0 4.2679987 46.76549 -36.973656 1 5020 1 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 0 4.767009 46.26619 -37.985413 1 5021 1 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 0 5.6718416 48.442253 -35.821728 1 5022 1 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 0 6.535429 48.855034 -34.652184 1 5023 1 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 0 5.7429705 49.389305 -33.486675 1 5024 1 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 0 5.884367 48.915756 -32.37567 1 5025 1 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 0 4.884696 50.366673 -33.731712 1 5026 1 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 0 2.988875 47.129723 -36.863495 1 5027 1 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 0 2.0888 47.107147 -38.00966 1 5028 1 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 0 2.063933 48.50492 -38.62039 1 5029 1 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 0 2.4700432 49.49032 -37.988754 1 5030 1 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 0 0.6562166 46.73352 -37.595524 1 5031 1 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 0 0.43441772 45.246723 -37.444397 1 5032 1 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 0 0.76538295 44.601868 -36.26829 1 5033 1 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 0 -0.12169378 44.503284 -38.471333 1 5034 1 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 0 0.5540129 43.243774 -36.115585 1 5035 1 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 0 -0.33850127 43.15033 -38.32742 1 5036 1 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 0 0.0036629469 42.520847 -37.153618 1 5037 1 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 0 -0.21015054 41.189884 -37.01351 1 5038 1 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 0 1.5756085 48.60272 -39.876892 1 5039 1 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 0 1.4647073 49.91461 -40.510925 1 5040 1 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 0 0.3334983 50.690704 -39.84382 1 5041 1 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 0 -0.37390038 50.15486 -38.97896 1 5042 1 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 0 1.2271992 49.782852 -42.027714 1 5043 1 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 0 -0.05175244 49.054825 -42.407997 1 5044 1 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 0 -0.89557326 48.77126 -41.53225 1 5045 1 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 0 -0.22448835 48.76497 -43.61654 1 5046 1 +ATOM N N . SER C0 3 228 . 228 SER C0 N 0 0.15785924 51.961025 -40.21515 1 5047 1 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 0 -0.8298032 52.827293 -39.580677 1 5048 1 +ATOM C C . SER C0 3 228 . 228 SER C0 C 0 -2.2556574 52.32312 -39.739437 1 5049 1 +ATOM O O . SER C0 3 228 . 228 SER C0 O 0 -3.1169577 52.656197 -38.92375 1 5050 1 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 0 -0.7138691 54.253227 -40.149525 1 5051 1 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 0 -0.9431585 54.27639 -41.547165 1 5052 1 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 0 -2.4984145 51.51857 -40.775303 1 5053 1 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 0 -3.8250926 50.948624 -40.98506 1 5054 1 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 0 -4.024744 49.66045 -40.194576 1 5055 1 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 0 -5.1325397 49.135773 -40.13199 1 5056 1 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 0 -4.0612755 50.68071 -42.475494 1 5057 1 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 0 -4.126328 51.95552 -43.29688 1 5058 1 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 0 -4.6249657 52.97694 -42.836254 1 5059 1 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 0 -3.623584 51.91445 -44.524384 1 5060 1 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 0 -2.953006 49.136845 -39.618538 1 5061 1 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 0 -3.0074506 47.90896 -38.846123 1 5062 1 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 0 -3.243447 46.666557 -39.67164 1 5063 1 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 0 -3.7776117 45.679993 -39.16148 1 5064 1 +ATOM N N . THR C0 3 231 . 231 THR C0 N 0 -2.8377542 46.68013 -40.933544 1 5065 1 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 0 -3.0798903 45.547718 -41.82271 1 5066 1 +ATOM C C . THR C0 3 231 . 231 THR C0 C 0 -1.8096473 44.859528 -42.31196 1 5067 1 +ATOM O O . THR C0 3 231 . 231 THR C0 O 0 -1.8859527 43.7491 -42.840034 1 5068 1 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 0 -3.9034688 45.993687 -43.05243 1 5069 1 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 0 -3.2032375 47.02443 -43.745293 1 5070 1 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 0 -5.2759366 46.519085 -42.639664 1 5071 1 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 0 -0.6673898 45.48816 -42.152287 1 5072 1 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 0 0.58390117 44.9207 -42.659164 1 5073 1 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 0 1.7381766 45.138237 -41.682014 1 5074 1 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 0 1.9151605 46.248573 -41.1718 1 5075 1 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 0 0.9267906 45.56018 -44.019005 1 5076 1 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 0 2.2166271 45.05851 -44.65077 1 5077 1 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 0 2.4971266 45.802174 -45.957397 1 5078 1 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 0 3.8202493 45.34906 -46.566204 1 5079 1 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 0 4.1234207 46.09871 -47.796463 1 5080 1 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 0 2.4718597 44.081062 -41.446785 1 5081 1 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 0 3.6457334 44.19114 -40.585007 1 5082 1 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 0 4.7360363 44.93534 -41.347355 1 5083 1 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 0 4.9509273 44.67411 -42.5393 1 5084 1 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 0 4.164449 42.811806 -40.17901 1 5085 1 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 0 3.3320034 42.092274 -39.11982 1 5086 1 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 0 3.699265 40.61945 -39.09514 1 5087 1 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 0 3.5655239 42.723106 -37.751408 1 5088 1 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 0 5.391514 45.86566 -40.690025 1 5089 1 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 0 6.4458666 46.63786 -41.322647 1 5090 1 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 0 7.773948 46.46982 -40.601406 1 5091 1 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 0 7.815729 46.21647 -39.400913 1 5092 1 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 0 6.071719 48.12831 -41.354687 1 5093 1 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 0 4.8765416 48.41793 -42.244003 1 5094 1 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 0 4.697652 49.88671 -42.53752 1 5095 1 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 0 4.11033 50.23372 -43.58255 1 5096 1 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 0 5.159898 50.718502 -41.720375 1 5097 1 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 0 8.810476 46.60627 -41.388535 1 5098 1 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 0 10.145485 46.488514 -40.82116 1 5099 1 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 0 10.486133 45.070282 -40.43932 1 5100 1 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 0 9.86689 44.113457 -40.90137 1 5101 1 +ATOM N N . SER C0 3 236 . 236 SER C0 N 0 11.492786 44.956867 -39.592384 1 5102 1 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 0 11.944204 43.65145 -39.12312 1 5103 1 +ATOM C C . SER C0 3 236 . 236 SER C0 C 0 11.608789 43.463264 -37.655563 1 5104 1 +ATOM O O . SER C0 3 236 . 236 SER C0 O 0 11.463785 44.434746 -36.910553 1 5105 1 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 0 13.456434 43.519707 -39.32633 1 5106 1 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 0 13.82259 43.67887 -40.679173 1 5107 1 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 0 11.46267 42.218426 -37.272026 1 5108 1 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 0 11.217735 41.905437 -35.869507 1 5109 1 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 0 12.475012 42.27219 -35.083733 1 5110 1 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 0 13.58493 41.9573 -35.510155 1 5111 1 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 0 10.888098 40.435104 -35.709206 1 5112 1 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 0 12.28769 42.93406 -33.94709 1 5113 1 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 0 13.406536 43.35878 -33.115517 1 5114 1 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 0 13.360733 42.60856 -31.782001 1 5115 1 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 0 12.310275 42.549133 -31.133863 1 5116 1 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 0 13.365894 44.884315 -32.86423 1 5117 1 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 0 14.49512 45.312195 -31.948252 1 5118 1 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 0 13.423831 45.645443 -34.19126 1 5119 1 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 0 14.4777565 42.03775 -31.406094 1 5120 1 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 0 14.543165 41.290936 -30.157164 1 5121 1 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 0 14.522793 42.23748 -28.959764 1 5122 1 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 0 15.25525 43.229225 -28.926058 1 5123 1 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 0 15.806342 40.424774 -30.115126 1 5124 1 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 0 15.894064 39.592003 -28.843266 1 5125 1 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 0 17.123144 38.706577 -28.781124 1 5126 1 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 0 17.676388 38.377262 -29.854034 1 5127 1 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 0 17.543312 38.32317 -27.67192 1 5128 1 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 0 13.689112 41.92159 -28.006369 1 5129 1 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 0 13.607343 42.693085 -26.771809 1 5130 1 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 0 14.718197 42.207573 -25.84267 1 5131 1 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 0 14.838739 41.01071 -25.58522 1 5132 1 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 0 12.217248 42.538963 -26.116451 1 5133 1 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 0 11.1836 43.312256 -26.951118 1 5134 1 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 0 12.230014 43.021107 -24.664646 1 5135 1 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 0 9.746597 43.12773 -26.499626 1 5136 1 +ATOM N N . THR C0 3 241 . 241 THR C0 N 0 15.533154 43.122753 -25.36116 1 5137 1 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 0 16.658821 42.765167 -24.51601 1 5138 1 +ATOM C C . THR C0 3 241 . 241 THR C0 C 0 16.5847 43.383713 -23.119173 1 5139 1 +ATOM O O . THR C0 3 241 . 241 THR C0 O 0 17.451473 43.12162 -22.285866 1 5140 1 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 0 17.994106 43.17451 -25.16657 1 5141 1 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 0 17.9946 44.582214 -25.386627 1 5142 1 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 0 18.188457 42.461346 -26.499084 1 5143 1 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 0 15.582276 44.224342 -22.8797 1 5144 1 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 0 15.395472 44.86151 -21.58599 1 5145 1 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 0 13.923285 44.846638 -21.211882 1 5146 1 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 0 13.052069 44.90971 -22.086792 1 5147 1 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 0 15.891901 46.323185 -21.60682 1 5148 1 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 0 17.364044 46.493973 -21.932766 1 5149 1 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 0 17.726799 47.97681 -21.996271 1 5150 1 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 0 19.184841 48.163948 -22.384193 1 5151 1 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 0 19.522366 49.592182 -22.492308 1 5152 1 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 0 13.65349 44.80889 -19.913456 1 5153 1 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 0 12.269182 44.820564 -19.439983 1 5154 1 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 0 11.563673 46.102768 -19.876423 1 5155 1 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 0 10.378679 46.083607 -20.204733 1 5156 1 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 0 12.227631 44.701454 -17.911385 1 5157 1 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 0 10.834575 44.62949 -17.271587 1 5158 1 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 0 10.9652815 44.57501 -15.752716 1 5159 1 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 0 10.067923 43.43726 -17.798286 1 5160 1 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 0 12.295349 47.22348 -19.888676 1 5161 1 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 0 11.730728 48.4992 -20.310743 1 5162 1 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 0 11.189568 48.439335 -21.735561 1 5163 1 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 0 10.225817 49.129936 -22.06482 1 5164 1 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 0 12.779215 49.617477 -20.217205 1 5165 1 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 0 13.042376 50.072968 -18.795912 1 5166 1 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 0 12.226244 49.77458 -17.902725 1 5167 1 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 0 14.074477 50.735672 -18.578419 1 5168 1 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 0 11.812922 47.62094 -22.576952 1 5169 1 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 0 11.367208 47.48561 -23.963238 1 5170 1 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 0 10.033131 46.751545 -24.052893 1 5171 1 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 0 9.237522 47.016235 -24.959026 1 5172 1 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 0 12.445798 46.782898 -24.797176 1 5173 1 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 0 13.718275 47.613796 -24.90791 1 5174 1 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 0 14.865873 46.882782 -25.565697 1 5175 1 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 0 15.948605 47.482178 -25.724894 1 5176 1 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 0 14.708073 45.6925 -25.92028 1 5177 1 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 0 9.787182 45.814564 -23.13195 1 5178 1 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 0 8.488745 45.14725 -23.103046 1 5179 1 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 0 7.4405355 46.170227 -22.668558 1 5180 1 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 0 6.361641 46.255104 -23.256851 1 5181 1 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 0 8.475487 43.94644 -22.13556 1 5182 1 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 0 9.540058 42.92622 -22.540459 1 5183 1 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 0 7.084239 43.29606 -22.121387 1 5184 1 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 0 9.612121 41.722473 -21.601738 1 5185 1 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 0 7.780183 46.952465 -21.640942 1 5186 1 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 0 6.860893 47.97743 -21.148485 1 5187 1 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 0 6.5518074 48.994137 -22.245789 1 5188 1 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 0 5.398369 49.42009 -22.398338 1 5189 1 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 0 7.4438124 48.676643 -19.912968 1 5190 1 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 0 7.518726 47.7818 -18.690964 1 5191 1 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 0 8.04941 48.54917 -17.485867 1 5192 1 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 0 8.068431 47.659077 -16.25407 1 5193 1 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 0 8.584232 48.36852 -15.06028 1 5194 1 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 0 7.57017 49.371574 -23.02256 1 5195 1 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 0 7.366905 50.30757 -24.131844 1 5196 1 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 0 6.4236984 49.722313 -25.173185 1 5197 1 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 0 5.614704 50.4395 -25.75903 1 5198 1 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 0 8.7056465 50.65896 -24.78267 1 5199 1 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 0 9.536321 51.59706 -23.922365 1 5200 1 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 0 9.021416 52.255207 -23.031681 1 5201 1 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 0 10.837471 51.65869 -24.198895 1 5202 1 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 0 6.514737 48.42463 -25.410421 1 5203 1 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 0 5.6547785 47.76053 -26.3877 1 5204 1 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 0 4.2083006 47.725487 -25.917118 1 5205 1 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 0 3.298278 47.57579 -26.733398 1 5206 1 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 0 6.158815 46.35135 -26.649021 1 5207 1 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 0 3.9910436 47.853134 -24.61676 1 5208 1 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 0 2.6484342 47.80902 -24.050045 1 5209 1 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 0 1.9961233 49.188847 -23.987036 1 5210 1 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 0 0.7936151 49.29237 -23.753939 1 5211 1 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 0 2.6840482 47.202816 -22.642742 1 5212 1 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 0 3.1922762 45.771137 -22.551615 1 5213 1 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 0 3.2318854 45.340424 -21.094471 1 5214 1 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 0 2.336358 44.83093 -23.37418 1 5215 1 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 0 2.7604973 50.25461 -24.198704 1 5216 1 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 0 2.236538 51.618164 -24.14281 1 5217 1 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 0 1.3250031 51.920486 -25.319191 1 5218 1 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 0 1.5078456 51.35967 -26.410881 1 5219 1 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 0 3.369471 52.654366 -24.115353 1 5220 1 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 0 4.141051 52.651627 -22.815592 1 5221 1 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 0 5.2368593 53.723022 -22.852293 1 5222 1 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 0 6.0012197 53.723 -21.536634 1 5223 1 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 0 7.0756483 54.70341 -21.551533 1 5224 1 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 0 0.34937307 52.621513 -25.167553 1 5225 1 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 0 -9.117916 4.4018793 0.8344737 1 5226 1 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 0 -10.288771 4.127436 1.4273336 1 5227 1 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 0 -8.59136 5.7309933 1.2139523 1 5228 1 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 0 -7.3917584 5.9781446 0.6487738 1 5229 1 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 0 -5.617818 -10.316449 0.3995301 1 5230 1 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 0 -5.8087683 -8.994906 0.60844815 1 5231 1 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 0 -6.0014763 -10.741343 -0.9710867 1 5232 1 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 0 -6.090453 -12.097151 -1.0413598 1 5233 1 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 0 -6.788002 18.187332 1.8295046 1 5234 1 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 0 -5.7380657 18.48825 2.6161127 1 5235 1 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 0 -7.178239 16.758911 1.9586163 1 5236 1 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 0 -8.263271 16.483074 1.1709118 1 5237 1 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 0 -4.4236097 -10.138361 8.737124 1 5238 1 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 0 -3.9615777 -10.832043 7.669 1 5239 1 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 0 -3.3075883 -9.529388 9.510767 1 5240 1 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 0 -3.7671142 -8.938127 10.635693 1 5241 1 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 0 -4.426998 -23.68581 -6.878886 1 5242 1 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 0 -4.8471723 -24.370892 -7.945566 1 5243 1 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 0 -5.526919 -23.402737 -5.924972 1 5244 1 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 0 -5.0566196 -22.914095 -4.742225 1 5245 1 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 0 -23.477497 -31.980251 18.354277 1 5246 1 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 0 -23.812056 -30.663298 18.374968 1 5247 1 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 0 -23.974693 -32.706924 19.535484 1 5248 1 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 0 -23.911158 -34.042763 19.30576 1 5249 1 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 0 -5.794028 3.0276906 0.89197475 1 5250 1 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 0 -3.3954706 18.448174 16.82661 1 5251 1 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 0 -8.416241 -6.7685137 11.3140335 1 5252 1 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 0 -6.46731 -24.565868 13.878075 1 5253 1 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 0 17.761976 -14.130588 0.17910671 1 5254 1 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 0 -1.6791744 -34.814053 21.073956 1 5255 1 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 0 15.023329 -13.117922 -14.496411 1 5256 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +4 non-polymer +5 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_1.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_1.cif new file mode 100644 index 0000000000000000000000000000000000000000..c33176996875abf335283c125750e91f5a50a567 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_1.cif @@ -0,0 +1,6681 @@ +data_8tuz-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 84.77 9.958088 22.415125 -7.6454372 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 89.84 9.629028 21.3074 -6.764655 1 2 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 93.36 8.571413 20.421135 -7.408697 1 3 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 91.41 7.6473055 20.925205 -8.066001 1 4 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 83.59 9.141178 21.838034 -5.417683 1 5 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 75.78 9.003617 20.769802 -4.358271 1 6 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 70.7 8.667719 21.349375 -3.0062714 1 7 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 65.62 8.0587635 22.44376 -2.9758315 1 8 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 64.06 9.002698 20.733534 -1.9709599 1 9 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 94.53 8.694624 19.131405 -7.227505 1 10 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 95.7 7.773532 18.172884 -7.8265963 1 11 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 96.09 6.3582726 18.406227 -7.3135138 1 12 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 95.31 6.144942 18.546623 -6.1109934 1 13 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 94.53 8.209945 16.7249 -7.5369644 1 14 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 92.19 7.1864896 15.742775 -8.079996 1 15 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 91.41 9.585512 16.457748 -8.119482 1 16 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 97.66 5.394847 18.429363 -8.22684 1 17 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 97.66 3.999953 18.618956 -7.856123 1 18 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 98.05 3.1034565 17.892075 -8.846901 1 19 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 97.27 3.3588653 17.912601 -10.057981 1 20 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 96.48 3.650394 20.109543 -7.80562 1 21 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 90.23 2.267569 20.384819 -7.241577 1 22 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 87.89 1.9727676 21.862898 -7.103734 1 23 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 82.03 2.682734 22.698444 -7.663183 1 24 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 80.08 0.92980367 22.211407 -6.35541 1 25 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 98.05 2.070256 17.250572 -8.336914 1 26 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 98.44 1.049586 16.59967 -9.144337 1 27 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 98.44 -0.299475 17.192236 -8.759188 1 28 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 98.05 -0.7154747 17.089254 -7.6051226 1 29 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 98.44 1.0457642 15.08001 -8.919247 1 30 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 97.27 2.299612 14.322107 -9.356367 1 31 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 96.48 2.2669587 12.89545 -8.829827 1 32 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 96.48 2.4286718 14.329578 -10.872671 1 33 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 98.05 -0.9729528 17.833115 -9.711358 1 34 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 98.44 -2.2517607 18.497787 -9.452409 1 35 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 98.44 -3.351169 17.791008 -10.242365 1 36 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 98.44 -3.2838929 17.700058 -11.47113 1 37 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 98.05 -2.202733 19.992743 -9.831408 1 38 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 96.88 -3.5495243 20.645279 -9.566475 1 39 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 96.48 -1.0975349 20.702171 -9.047598 1 40 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 98.44 -4.3491554 17.297073 -9.516377 1 41 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 98.05 -5.434427 16.549395 -10.140731 1 42 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 98.05 -6.6477857 17.434696 -10.413497 1 43 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 97.66 -6.7881737 18.514027 -9.834343 1 44 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 98.05 -5.8359694 15.362735 -9.2605505 1 45 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 97.27 -4.7087336 14.372608 -9.042336 1 46 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 98.44 -5.099409 13.168274 -8.224701 1 47 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 89.06 -4.409238 12.786547 -7.2829094 1 48 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 85.16 -6.2257853 12.550533 -8.563739 1 49 +ATOM N N . SER A0 1 7 . 7 SER A0 N 97.27 -7.516473 16.957924 -11.303774 1 50 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 97.27 -8.739015 17.673553 -11.644602 1 51 +ATOM C C . SER A0 1 7 . 7 SER A0 C 96.88 -9.743625 17.595972 -10.49965 1 52 +ATOM O O . SER A0 1 7 . 7 SER A0 O 96.48 -9.561083 16.84999 -9.535271 1 53 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 97.27 -9.350268 17.09721 -12.926182 1 54 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 96.48 -9.507454 15.692989 -12.820491 1 55 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 94.53 -10.805674 18.377487 -10.602114 1 56 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 94.14 -11.770338 18.514038 -9.527668 1 57 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 94.92 -12.734739 17.352585 -9.394844 1 58 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 94.53 -12.768927 16.427494 -10.215975 1 59 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 92.97 -13.536706 17.42443 -8.3388 1 60 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 92.97 -14.533959 16.412918 -8.019178 1 61 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 94.14 -15.507467 16.20792 -9.17552 1 62 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 93.36 -15.892458 17.159647 -9.858871 1 63 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 90.62 -15.292751 16.836765 -6.7592125 1 64 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 85.16 -16.337605 15.844345 -6.290544 1 65 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 81.64 -17.08968 16.339218 -5.0663567 1 66 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 77.34 -17.258217 15.560036 -4.108224 1 67 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 76.17 -17.497105 17.518143 -5.0699835 1 68 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 94.53 -15.917377 14.9321165 -9.389029 1 69 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 94.53 -16.842323 14.592358 -10.465697 1 70 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 94.53 -18.043758 13.842331 -9.915344 1 71 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 94.14 -17.8913 12.944233 -9.084352 1 72 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 94.14 -16.153896 13.7369175 -11.532856 1 73 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 91.8 -15.000793 14.423935 -12.256364 1 74 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 89.45 -15.445533 15.306778 -13.400385 1 75 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 86.72 -14.573196 15.920572 -14.042408 1 76 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 87.11 -16.664871 15.389164 -13.668142 1 77 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 94.14 -19.234556 14.201503 -10.377182 1 78 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 93.75 -20.470585 13.50128 -10.040554 1 79 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 94.14 -21.124706 13.075986 -11.348542 1 80 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 93.75 -21.52018 13.918295 -12.160222 1 81 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 92.19 -21.43249 14.3876 -9.224737 1 82 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 90.62 -22.697487 13.614635 -8.875608 1 83 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 90.23 -20.744596 14.893617 -7.953553 1 84 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 96.09 -21.21304 11.767248 -11.554092 1 85 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 96.09 -21.719418 11.216265 -12.814593 1 86 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 96.48 -22.768421 10.141275 -12.576223 1 87 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 95.7 -22.916328 9.619249 -11.462502 1 88 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 95.7 -20.572166 10.634911 -13.646877 1 89 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 94.14 -19.538425 11.653267 -14.098055 1 90 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 92.97 -20.103138 12.529098 -15.210897 1 91 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 91.02 -19.051054 13.514723 -15.70432 1 92 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 89.06 -19.556034 14.317197 -16.815453 1 93 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 96.48 -23.496922 9.788245 -13.636261 1 94 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 96.48 -24.492662 8.728874 -13.588041 1 95 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 96.88 -23.907188 7.455352 -14.182896 1 96 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 96.48 -22.99642 7.5102015 -15.024593 1 97 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 95.7 -25.751247 9.12561 -14.3702 1 98 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 90.62 -26.464678 10.347114 -13.827581 1 99 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 86.72 -27.710388 10.6562 -14.632278 1 100 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 80.08 -28.384396 11.928416 -14.1381645 1 101 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 73.05 -28.883175 11.8003235 -12.754665 1 102 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 97.66 -24.416775 6.276291 -13.755394 1 103 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 97.27 -23.93856 5.024014 -14.341663 1 104 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 97.66 -24.133076 5.0155563 -15.8570385 1 105 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 97.27 -25.139782 5.517317 -16.368443 1 106 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 96.48 -24.802454 3.9546568 -13.664814 1 107 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 95.31 -25.230293 4.5817766 -12.373688 1 108 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 96.88 -25.40211 6.044721 -12.689806 1 109 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 97.66 -23.153069 4.459937 -16.559353 1 110 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 97.66 -23.20844 4.402238 -18.007278 1 111 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 98.05 -22.54178 5.566284 -18.701649 1 112 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 97.27 -22.258503 5.4939656 -19.903837 1 113 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 97.66 -22.293364 6.6527624 -17.959637 1 114 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 98.05 -21.632662 7.809423 -18.544302 1 115 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 97.66 -20.12473 7.600394 -18.598167 1 116 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 97.27 -19.570557 6.76857 -17.86978 1 117 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 97.27 -21.952328 9.08059 -17.747799 1 118 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 95.7 -23.415894 9.48884 -17.823362 1 119 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 95.31 -23.668709 10.828663 -17.173784 1 120 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 91.8 -24.598886 11.530558 -17.611094 1 121 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 92.19 -22.937447 11.190052 -16.226406 1 122 +ATOM N N . SER A0 1 17 . 17 SER A0 N 98.05 -19.477842 8.339121 -19.455633 1 123 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 98.05 -18.025726 8.298315 -19.554485 1 124 +ATOM C C . SER A0 1 17 . 17 SER A0 C 98.05 -17.422215 9.397446 -18.681808 1 125 +ATOM O O . SER A0 1 17 . 17 SER A0 O 98.05 -18.081177 10.385065 -18.352345 1 126 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 97.66 -17.570948 8.4702015 -21.004368 1 127 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 91.8 -17.92501 9.753456 -21.494644 1 128 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 98.44 -16.170387 9.183268 -18.29191 1 129 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 98.05 -15.486612 10.159548 -17.450172 1 130 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 98.44 -13.987529 10.085981 -17.693176 1 131 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 98.05 -13.436649 8.996088 -17.875912 1 132 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 97.66 -15.792894 9.914999 -15.967564 1 133 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 96.48 -15.058403 10.814646 -14.967767 1 134 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 95.7 -15.316023 10.369011 -13.537798 1 135 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 95.31 -15.452438 12.27644 -15.162777 1 136 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 98.44 -13.359821 11.231369 -17.687859 1 137 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 98.44 -11.915565 11.326153 -17.8366 1 138 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 98.44 -11.3941345 12.3355 -16.822536 1 139 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 98.05 -11.749094 13.516098 -16.87738 1 140 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 98.05 -11.538077 11.755268 -19.258247 1 141 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 96.09 -10.049047 11.707262 -19.555405 1 142 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 94.14 -9.793352 12.037404 -21.027096 1 143 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 89.45 -8.326321 11.921641 -21.385262 1 144 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 84.38 -8.093437 12.173209 -22.822416 1 145 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 98.44 -10.572181 11.864727 -15.883065 1 146 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 98.44 -9.974971 12.75238 -14.8981905 1 147 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 98.44 -8.496586 12.901652 -15.210289 1 148 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 98.44 -7.899749 12.063776 -15.889117 1 149 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 98.05 -10.199146 12.260201 -13.4491625 1 150 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 95.31 -9.566647 10.898552 -13.239866 1 151 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 94.92 -11.704864 12.194091 -13.152561 1 152 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 95.7 -9.661375 10.390366 -11.801586 1 153 +ATOM N N . SER A0 1 21 . 21 SER A0 N 98.44 -7.8962374 13.99051 -14.704649 1 154 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 98.44 -6.534532 14.332516 -15.099929 1 155 +ATOM C C . SER A0 1 21 . 21 SER A0 C 98.44 -5.588935 14.543497 -13.92231 1 156 +ATOM O O . SER A0 1 21 . 21 SER A0 O 98.44 -6.0232334 14.722275 -12.782335 1 157 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 98.05 -6.5372257 15.59386 -15.978291 1 158 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 96.09 -6.9788857 16.726452 -15.244661 1 159 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 98.44 -4.314089 14.50112 -14.226975 1 160 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 98.83 -3.2402368 14.710821 -13.267544 1 161 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 98.44 -2.0972 15.395582 -14.0086565 1 162 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 98.44 -1.5108135 14.818721 -14.925545 1 163 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 98.05 -2.7847502 13.375408 -12.686683 1 164 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 96.88 -1.3216677 13.442612 -11.644833 1 165 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 98.44 -1.8050325 16.635803 -13.636447 1 166 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 98.44 -0.7563169 17.414845 -14.292292 1 167 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 98.44 0.49626267 17.457453 -13.423693 1 168 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 98.44 0.42774785 17.81258 -12.244587 1 169 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 98.05 -1.2380563 18.842789 -14.586029 1 170 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 94.92 -0.21134605 19.673588 -15.337582 1 171 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 91.41 -0.7699683 21.04122 -15.714234 1 172 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 86.33 0.25162023 21.856262 -16.489231 1 173 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 80.47 -0.3027298 23.158455 -16.897736 1 174 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 98.05 1.6329732 17.089977 -14.0157 1 175 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 98.05 2.8964343 17.095238 -13.297276 1 176 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 98.05 3.7387166 18.30403 -13.620745 1 177 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 97.66 3.6918106 18.838165 -14.729164 1 178 +ATOM N N . SER A0 1 25 . 25 SER A0 N 97.66 4.5190005 18.74849 -12.646019 1 179 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 96.88 5.42918 19.872757 -12.836115 1 180 +ATOM C C . SER A0 1 25 . 25 SER A0 C 96.88 6.6057444 19.741726 -11.879636 1 181 +ATOM O O . SER A0 1 25 . 25 SER A0 O 96.88 6.545294 18.983877 -10.902277 1 182 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 96.48 4.708928 21.213741 -12.621174 1 183 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 94.53 4.229916 21.329037 -11.301502 1 184 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 95.7 7.6998477 20.471792 -12.166857 1 185 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 94.92 8.853023 20.483973 -11.300093 1 186 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 95.31 9.8520565 19.37114 -11.5558605 1 187 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 94.53 10.809927 19.221329 -10.796803 1 188 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 94.53 9.6552925 18.585009 -12.612318 1 189 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 94.92 10.568714 17.507835 -12.984563 1 190 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 94.92 10.348572 17.180708 -14.454241 1 191 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 94.14 9.381769 17.665194 -15.065484 1 192 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 94.92 10.349577 16.270475 -12.1043215 1 193 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 95.31 9.0325985 15.574655 -12.355409 1 194 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 94.92 7.8517723 16.065979 -11.811149 1 195 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 94.92 8.975921 14.436684 -13.14026 1 196 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 94.53 6.637962 15.438689 -12.045691 1 197 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 94.53 7.769702 13.796119 -13.381365 1 198 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 95.31 6.606415 14.3001175 -12.835384 1 199 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 94.53 5.4099526 13.666543 -13.074113 1 200 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 94.14 11.229058 16.365583 -15.0452385 1 201 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 93.75 11.065992 15.974361 -16.43389 1 202 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 94.92 9.937342 14.950344 -16.537415 1 203 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 94.53 10.129177 13.758865 -16.296373 1 204 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 92.19 12.372523 15.412893 -16.999826 1 205 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 86.33 12.328241 15.195053 -18.4989 1 206 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 81.64 13.686417 14.77292 -19.049719 1 207 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 74.61 13.626081 14.572163 -20.556562 1 208 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 68.75 14.929638 14.172157 -21.098476 1 209 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 95.7 8.75779 15.42906 -16.900902 1 210 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 96.09 7.519108 14.66077 -16.890537 1 211 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 95.7 7.6200895 13.345831 -17.670376 1 212 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 95.31 7.083909 12.318695 -17.23709 1 213 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 96.48 6.3873653 15.531844 -17.452667 1 214 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 97.27 5.0530834 14.835173 -17.5323 1 215 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 96.48 4.5617266 14.397766 -18.749771 1 216 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 96.09 4.2769566 14.653006 -16.39928 1 217 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 96.09 3.327774 13.78055 -18.828718 1 218 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 96.09 3.0445802 14.040186 -16.47467 1 219 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 97.27 2.5663211 13.601665 -17.693615 1 220 +ATOM N N . SER A0 1 30 . 30 SER A0 N 95.31 8.313835 13.359476 -18.814232 1 221 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 95.31 8.386569 12.190738 -19.679775 1 222 +ATOM C C . SER A0 1 30 . 30 SER A0 C 95.31 9.364167 11.125315 -19.189302 1 223 +ATOM O O . SER A0 1 30 . 30 SER A0 O 94.53 9.464365 10.06224 -19.81337 1 224 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 94.14 8.762895 12.609916 -21.107306 1 225 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 91.41 10.041858 13.212125 -21.137146 1 226 +ATOM N N . SER A0 1 31 . 31 SER A0 N 92.97 10.069634 11.38184 -18.090363 1 227 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 92.97 11.111586 10.480536 -17.614326 1 228 +ATOM C C . SER A0 1 31 . 31 SER A0 C 94.14 10.719157 9.657115 -16.38848 1 229 +ATOM O O . SER A0 1 31 . 31 SER A0 O 93.36 11.565792 8.955413 -15.828797 1 230 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 91.02 12.388512 11.271399 -17.304813 1 231 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 87.89 12.903693 11.888984 -18.474083 1 232 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 95.31 9.466418 9.737342 -15.954739 1 233 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 95.7 9.008573 8.980587 -14.795151 1 234 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 96.09 7.644424 8.362242 -15.062178 1 235 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 95.7 6.803219 8.962675 -15.735577 1 236 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 94.92 8.908459 9.874828 -13.553335 1 237 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 94.14 10.2356205 10.398683 -13.0542145 1 238 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 92.19 10.7770605 11.574205 -13.5708 1 239 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 91.8 10.946241 9.723907 -12.072867 1 240 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 90.62 11.992302 12.05584 -13.124359 1 241 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 90.23 12.161806 10.202448 -11.619172 1 242 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 90.62 12.676136 11.365501 -12.147362 1 243 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 89.06 13.87537 11.842376 -11.704279 1 244 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 97.27 7.431779 7.178994 -14.506075 1 245 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 97.27 6.115995 6.5638742 -14.533483 1 246 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 97.66 5.15466 7.365144 -13.6526575 1 247 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 97.27 5.5559177 7.9366403 -12.631558 1 248 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 96.48 6.1754055 5.1343737 -13.995707 1 249 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 95.31 6.9819303 4.1585455 -14.782036 1 250 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 94.14 8.300951 3.867506 -14.614082 1 251 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 94.53 6.5059004 3.3091621 -15.828482 1 252 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 92.58 8.6793785 2.8865454 -15.494745 1 253 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 93.36 7.5983696 2.5250158 -16.254486 1 254 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 92.97 5.2609615 3.1412816 -16.451904 1 255 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 92.19 7.477584 1.5782796 -17.267231 1 256 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 92.58 5.149731 2.1993566 -17.459229 1 257 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 92.19 6.254751 1.4397075 -17.85699 1 258 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 98.05 3.8739128 7.4080057 -14.042864 1 259 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 98.44 2.8230858 7.97649 -13.204064 1 260 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 98.05 1.7684584 6.8909597 -13.002476 1 261 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 98.05 1.2882633 6.2892904 -13.967232 1 262 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 98.05 2.1717532 9.215391 -13.844479 1 263 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 95.7 3.223381 10.314201 -14.059242 1 264 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 96.09 1.0285449 9.722521 -12.956751 1 265 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 94.14 3.8056211 10.889093 -12.774156 1 266 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 98.05 1.4339174 6.636649 -11.737077 1 267 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 98.44 0.4650936 5.601466 -11.429013 1 268 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 98.83 -0.8346487 6.1695223 -10.898449 1 269 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 98.44 -0.90120983 7.331194 -10.480717 1 270 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 98.83 -1.8727744 5.3353243 -10.943571 1 271 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 98.44 -3.1775033 5.678088 -10.395657 1 272 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 98.83 -3.539884 4.6888933 -9.305422 1 273 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 98.44 -3.341413 3.474616 -9.456732 1 274 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 98.44 -4.262337 5.6647987 -11.490845 1 275 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 98.83 -4.193391 6.831786 -12.427222 1 276 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 98.44 -3.5908303 6.8645215 -13.649403 1 277 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 98.44 -4.754196 8.129607 -12.215962 1 278 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 98.44 -3.7366157 8.1059475 -14.215801 1 279 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 98.83 -4.4463987 8.899429 -13.354423 1 280 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 98.83 -5.487197 8.70693 -11.178768 1 281 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 98.83 -4.849006 10.231951 -13.485089 1 282 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 98.83 -5.8894386 10.031418 -11.307827 1 283 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 98.44 -5.566731 10.772232 -12.45424 1 284 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 98.83 -4.0847692 5.22045 -8.215467 1 285 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 98.83 -4.4674654 4.4202466 -7.0653133 1 286 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 98.83 -5.904401 4.757817 -6.6897764 1 287 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 98.83 -6.256055 5.936215 -6.5625916 1 288 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 98.44 -3.531332 4.6817284 -5.8620386 1 289 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 97.66 -4.005662 3.9169183 -4.636159 1 290 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 97.66 -2.0956905 4.303644 -6.217168 1 291 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 98.44 -6.7393456 3.7237556 -6.4933395 1 292 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 98.44 -8.120663 3.9131863 -6.0759025 1 293 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 98.44 -8.251306 3.6793091 -4.582053 1 294 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 98.44 -7.614279 2.7857413 -4.0207224 1 295 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 98.05 -9.053587 2.9405537 -6.82382 1 296 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 96.09 -10.530867 3.0741076 -6.4199276 1 297 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 95.31 -11.392965 2.0721295 -7.1688004 1 298 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 93.36 -11.279365 0.7283828 -6.5744295 1 299 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 93.36 -11.967169 -0.3318445 -7.0156517 1 300 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 91.41 -12.824957 -0.19933376 -8.031745 1 301 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 91.8 -11.7927 -1.5115062 -6.421821 1 302 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 98.05 -9.094338 4.472968 -3.928226 1 303 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 98.05 -9.414675 4.2681904 -2.5211172 1 304 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 98.05 -10.918328 4.436372 -2.3369496 1 305 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 97.66 -11.43227 5.5603447 -2.3546896 1 306 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 97.66 -8.64572 5.24265 -1.6245391 1 307 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 97.27 -8.851876 4.9386015 -0.14208245 1 308 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 97.66 -7.896617 5.7071056 0.7386123 1 309 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 94.92 -7.670444 6.902443 0.5346661 1 310 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 94.53 -7.3121767 5.022644 1.7248204 1 311 +ATOM N N . MET A0 1 40 . 40 MET A0 N 96.09 -11.604196 3.321241 -2.1784344 1 312 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 95.7 -13.048698 3.3507428 -1.9879537 1 313 +ATOM C C . MET A0 1 40 . 40 MET A0 C 95.7 -13.362457 3.8317437 -0.57781756 1 314 +ATOM O O . MET A0 1 40 . 40 MET A0 O 95.31 -12.520063 3.7374916 0.31964082 1 315 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 94.92 -13.651613 1.9721262 -2.2436104 1 316 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 93.36 -13.404562 1.4784057 -3.6659436 1 317 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 91.41 -14.126585 -0.14347365 -4.0021906 1 318 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 85.94 -15.860468 0.31324822 -4.1816525 1 319 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 91.8 -14.558645 4.3741636 -0.35780743 1 320 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 90.23 -14.893601 4.9272704 0.9595321 1 321 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 90.23 -14.675718 3.923134 2.0838857 1 322 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 88.28 -15.199078 2.8061829 2.0594537 1 323 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 88.67 -16.373726 5.294259 0.8190587 1 324 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 87.11 -16.548641 5.5882173 -0.6432818 1 325 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 89.45 -15.641892 4.594386 -1.3377907 1 326 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 89.45 -13.873722 4.323207 3.0648963 1 327 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 88.67 -13.593477 3.4828658 4.214098 1 328 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 89.84 -12.697199 2.2939212 3.9417653 1 329 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 87.89 -12.552305 1.4265697 4.8102274 1 330 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 94.92 -12.103755 2.24095 2.7547307 1 331 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 94.92 -11.254517 1.1126626 2.3667076 1 332 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 95.7 -9.801692 1.5426116 2.2169013 1 333 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 94.92 -9.457611 2.7236052 2.3746192 1 334 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 93.36 -11.754719 0.49174473 1.0529704 1 335 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 89.45 -13.216017 0.08699587 1.05616 1 336 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 85.16 -13.463139 -1.1343669 1.9488587 1 337 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 80.47 -14.903366 -1.6172881 1.8124936 1 338 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 75.0 -15.15947 -2.8152735 2.6139793 1 339 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 96.09 -8.944494 0.57528627 1.9127756 1 340 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 96.48 -7.531451 0.85345405 1.7299632 1 341 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 97.27 -7.190197 1.245153 0.3042492 1 342 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 96.88 -8.066355 1.6170154 -0.49257374 1 343 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 98.05 -5.911091 1.1655228 -0.013973254 1 344 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 98.05 -5.411628 1.5916166 -1.3100712 1 345 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 98.05 -5.3624845 0.42332238 -2.2951534 1 346 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 97.66 -4.9547114 -0.6856345 -1.9380417 1 347 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 98.05 -4.010745 2.1951227 -1.1658108 1 348 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 98.05 -3.8924928 3.3791947 -0.1968891 1 349 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 97.27 -2.42028 3.6826744 0.06620875 1 350 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 97.27 -4.60227 4.59904 -0.76207983 1 351 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 98.05 -5.7621555 0.6903208 -3.5382423 1 352 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 98.05 -5.7193313 -0.30866724 -4.600725 1 353 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 98.44 -4.9970074 0.28618944 -5.8021994 1 354 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 98.44 -5.4341526 1.2972956 -6.357626 1 355 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 97.27 -7.137065 -0.7174808 -5.0299826 1 356 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 92.97 -7.9803348 -1.3713968 -3.9446442 1 357 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 91.8 -9.386314 -1.645546 -4.430132 1 358 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 89.84 -10.173495 -0.6831466 -4.5693574 1 359 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 89.06 -9.701363 -2.8281279 -4.6833677 1 360 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 98.05 -3.9064412 -0.33907813 -6.194551 1 361 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 98.05 -3.173625 0.101245046 -7.3666124 1 362 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 98.44 -3.9505072 -0.26313648 -8.6265955 1 363 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 98.05 -4.3754463 -1.3991503 -8.79888 1 364 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 98.44 -1.780817 -0.5428142 -7.3994093 1 365 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 98.05 -0.98779356 -0.18072745 -8.601272 1 366 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 96.88 -0.40408 1.0223272 -8.861093 1 367 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 97.66 -0.67002034 -1.0064625 -9.713379 1 368 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 96.48 0.25029114 0.9726409 -10.062391 1 369 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 97.27 0.093450986 -0.26433408 -10.611451 1 370 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 97.27 -0.9748019 -2.340938 -10.04493 1 371 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 96.48 0.5749302 -0.7829358 -11.809082 1 372 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 96.48 -0.49761844 -2.8582253 -11.23941 1 373 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 96.48 0.2626465 -2.0811663 -12.104251 1 374 +ATOM N N . MET A0 1 48 . 48 MET A0 N 98.05 -4.1396666 0.7177438 -9.493745 1 375 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 98.44 -4.9277277 0.51751876 -10.703644 1 376 +ATOM C C . MET A0 1 48 . 48 MET A0 C 98.44 -4.0608044 0.2718224 -11.932703 1 377 +ATOM O O . MET A0 1 48 . 48 MET A0 O 98.44 -4.3080683 -0.66401803 -12.692133 1 378 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 98.44 -5.838565 1.7334495 -10.958352 1 379 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 98.05 -6.799183 2.0289493 -9.826221 1 380 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 98.05 -7.8065367 3.4918504 -10.173395 1 381 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 94.92 -8.872976 2.8466268 -11.462892 1 382 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 98.05 -3.0922065 1.088943 -12.132856 1 383 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 98.44 -2.2377512 0.9763278 -13.296309 1 384 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 98.05 -1.1977363 2.0743294 -13.321642 1 385 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 98.05 -1.1145929 2.8947387 -12.398809 1 386 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 98.05 -0.4167332 2.0712056 -14.376204 1 387 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 97.66 0.71030134 2.9879503 -14.454606 1 388 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 98.05 1.0161246 3.2858372 -15.92104 1 389 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 98.05 0.7308552 2.4692793 -16.80524 1 390 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 97.27 1.9348058 2.3888474 -13.73218 1 391 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 94.14 2.9701037 3.4631531 -13.389143 1 392 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 93.75 2.533959 1.2412188 -14.542841 1 393 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 91.8 3.9973469 2.9867098 -12.360192 1 394 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 97.66 1.5624223 4.4727383 -16.182695 1 395 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 97.66 1.9279385 4.8525453 -17.545364 1 396 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 97.66 3.275789 5.559261 -17.534199 1 397 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 97.66 3.6037717 6.279869 -16.58719 1 398 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 98.05 0.8459946 5.7666464 -18.189285 1 399 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 97.66 1.159156 6.0078974 -19.673775 1 400 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 97.66 0.7357959 7.1068115 -17.439745 1 401 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 96.88 0.038700134 6.6834917 -20.452116 1 402 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 96.88 4.0795774 5.3190775 -18.579433 1 403 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 97.27 5.313486 6.065054 -18.783512 1 404 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 97.27 5.03171 7.1168613 -19.85766 1 405 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 97.27 4.8760448 6.7687464 -21.030907 1 406 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 96.09 6.447404 5.144945 -19.215996 1 407 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 95.7 7.807811 5.7903867 -19.132233 1 408 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 94.53 8.430264 6.2757864 -20.269688 1 409 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 94.14 8.451658 5.9164577 -17.924416 1 410 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 92.97 9.674417 6.8815236 -20.19066 1 411 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 92.97 9.696887 6.52372 -17.841297 1 412 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 93.36 10.306038 7.0017934 -18.976627 1 413 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 97.66 4.9333806 8.405005 -19.473007 1 414 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 97.27 4.4811506 9.423988 -20.422981 1 415 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 96.88 5.341775 9.566446 -21.674763 1 416 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 95.7 4.8341827 9.978044 -22.720839 1 417 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 97.27 4.498702 10.717676 -19.589268 1 418 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 96.88 4.3434415 10.247615 -18.180653 1 419 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 97.66 5.11526 8.956903 -18.126965 1 420 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 96.48 6.6385546 9.2438755 -21.59597 1 421 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 96.09 7.5354395 9.4202385 -22.72348 1 422 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 96.09 7.0977097 8.693357 -23.979362 1 423 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 95.31 7.164865 9.252908 -25.07876 1 424 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 95.7 6.643262 7.433378 -23.83786 1 425 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 95.31 6.2004824 6.6578074 -24.990692 1 426 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 96.09 4.839265 6.010908 -24.774734 1 427 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 95.7 4.4338994 5.1620374 -25.574175 1 428 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 93.75 7.247376 5.595498 -25.353924 1 429 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 93.36 7.4733033 4.582109 -24.242443 1 430 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 92.58 6.796416 4.658169 -23.194431 1 431 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 89.84 8.336775 3.697721 -24.418972 1 432 +ATOM N N . SER A0 1 56 . 56 SER A0 N 96.48 4.1542873 6.39762 -23.723646 1 433 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 96.48 2.8105912 5.9163 -23.40932 1 434 +ATOM C C . SER A0 1 56 . 56 SER A0 C 96.48 2.7435513 4.4147973 -23.12634 1 435 +ATOM O O . SER A0 1 56 . 56 SER A0 O 95.7 1.6945294 3.7898839 -23.297853 1 436 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 96.09 1.8160213 6.2897916 -24.514217 1 437 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 91.8 1.6764252 7.696726 -24.598442 1 438 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 95.7 3.8430495 3.8412151 -22.66938 1 439 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 95.7 3.8400135 2.458282 -22.21243 1 440 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 96.88 2.9447646 2.36515 -20.982162 1 441 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 96.88 3.055516 3.1883373 -20.062052 1 442 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 94.92 5.2735434 2.0265188 -21.862951 1 443 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 93.36 5.4096556 0.545883 -21.582066 1 444 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 91.8 4.402507 -0.19383237 -21.663456 1 445 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 89.84 6.540155 0.10338148 -21.28436 1 446 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 96.88 2.0532184 1.3744099 -20.958733 1 447 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 96.48 1.0689485 1.2430936 -19.887651 1 448 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 96.09 1.0455111 -0.16419764 -19.319616 1 449 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 95.7 1.2691312 -1.1425625 -20.027992 1 450 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 96.88 -0.3449337 1.5820601 -20.397293 1 451 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 95.7 -0.5174836 3.0153995 -20.845573 1 452 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 94.53 -1.9182858 3.2246182 -21.416588 1 453 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 92.19 -2.0903182 2.6080298 -22.793423 1 454 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 89.84 -1.4056766 3.4059558 -23.833843 1 455 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 96.88 0.7250835 -0.24997808 -18.035454 1 456 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 96.48 0.4769488 -1.5322214 -17.391186 1 457 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 97.27 -0.6745254 -1.3692151 -16.418726 1 458 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 97.27 -0.80331004 -0.32693708 -15.75506 1 459 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 95.7 1.7140874 -2.0362372 -16.643503 1 460 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 92.97 2.906046 -2.3784733 -17.54586 1 461 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 89.06 2.6061182 -3.5668592 -18.442284 1 462 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 86.72 3.7543912 -3.974924 -19.240631 1 463 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 84.77 4.1102104 -3.4005098 -20.38201 1 464 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 81.25 3.412356 -2.3646612 -20.866146 1 465 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 82.03 5.159877 -3.8228889 -21.040749 1 466 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 96.88 -1.5231779 -2.3774157 -16.315033 1 467 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 96.88 -2.6853662 -2.3272076 -15.439695 1 468 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 96.48 -2.6564775 -3.4718297 -14.435108 1 469 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 95.7 -2.1416671 -4.5515814 -14.732386 1 470 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 97.27 -3.9859145 -2.4306335 -16.250883 1 471 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 98.05 -4.2091146 -1.3286952 -17.257145 1 472 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 97.66 -3.7873979 -1.4703863 -18.574398 1 473 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 97.27 -4.865692 -0.15666258 -16.902328 1 474 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 97.27 -3.9957204 -0.46819443 -19.506538 1 475 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 97.27 -5.0836935 0.8544215 -17.828493 1 476 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 98.05 -4.643876 0.6856413 -19.125118 1 477 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 97.66 -4.856136 1.6780422 -20.052193 1 478 +ATOM N N . SER A0 1 61 . 61 SER A0 N 97.27 -3.233757 -3.2107992 -13.276461 1 479 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 96.88 -3.496912 -4.2942247 -12.343786 1 480 +ATOM C C . SER A0 1 61 . 61 SER A0 C 96.88 -4.4795 -5.255565 -12.998062 1 481 +ATOM O O . SER A0 1 61 . 61 SER A0 O 96.48 -5.396803 -4.8181477 -13.698435 1 482 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 96.48 -4.0829678 -3.73979 -11.045549 1 483 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 95.31 -4.689932 -4.7738256 -10.280375 1 484 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 96.09 -4.314644 -6.57508 -12.805157 1 485 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 95.31 -5.274791 -7.515588 -13.379173 1 486 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 95.7 -6.713074 -7.2132015 -12.974662 1 487 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 95.31 -7.6382236 -7.4787045 -13.751917 1 488 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 94.53 -4.803916 -8.868917 -12.831427 1 489 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 93.36 -3.345408 -8.678198 -12.584606 1 490 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 95.31 -3.2047338 -7.2525196 -12.125624 1 491 +ATOM N N . SER A0 1 63 . 63 SER A0 N 96.48 -6.9153385 -6.6517324 -11.784019 1 492 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 95.7 -8.2571535 -6.3308234 -11.307761 1 493 +ATOM C C . SER A0 1 63 . 63 SER A0 C 96.09 -8.879925 -5.1402807 -12.035888 1 494 +ATOM O O . SER A0 1 63 . 63 SER A0 O 94.53 -10.091009 -4.9379187 -11.949968 1 495 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 94.14 -8.228682 -6.0555315 -9.806693 1 496 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 88.67 -7.776951 -7.1864953 -9.0848465 1 497 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 96.88 -8.06835 -4.350081 -12.72122 1 498 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 96.88 -8.561405 -3.1680222 -13.420538 1 499 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 96.48 -8.381557 -3.2472622 -14.928342 1 500 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 95.31 -8.871003 -2.3680909 -15.641904 1 501 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 96.88 -7.874748 -1.9058685 -12.871715 1 502 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 97.27 -8.272649 -1.5743511 -11.45876 1 503 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 96.09 -7.58327 -2.1183918 -10.379787 1 504 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 96.09 -9.341276 -0.72733057 -11.20212 1 505 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 95.7 -7.9590178 -1.8334439 -9.072397 1 506 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 95.7 -9.716188 -0.43477947 -9.896242 1 507 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 96.48 -9.0210905 -0.9860796 -8.831244 1 508 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 96.09 -7.716921 -4.3010416 -15.406814 1 509 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 96.09 -7.4894047 -4.4754295 -16.841042 1 510 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 96.09 -8.823037 -4.4951515 -17.596046 1 511 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 94.92 -9.719493 -5.2680864 -17.254936 1 512 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 94.53 -6.7367506 -5.7759695 -17.091623 1 513 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 89.84 -6.424148 -6.053788 -18.553284 1 514 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 86.33 -5.3350635 -5.153885 -19.09622 1 515 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 81.64 -5.587741 -4.335115 -19.974075 1 516 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 79.69 -4.1292844 -5.3129435 -18.565193 1 517 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 96.09 -8.940426 -3.6332114 -18.593231 1 518 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 95.7 -10.149439 -3.554976 -19.393192 1 519 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 96.09 -11.268882 -2.7421997 -18.782654 1 520 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 95.31 -12.300726 -2.5469353 -19.43364 1 521 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 96.48 -11.082446 -2.278966 -17.549835 1 522 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 96.48 -12.1231365 -1.5150816 -16.866428 1 523 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 97.27 -11.90632 -0.015039301 -16.99321 1 524 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 96.48 -12.866921 0.74819845 -16.961273 1 525 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 95.31 -12.185772 -1.9044881 -15.383778 1 526 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 91.8 -12.30905 -3.4047585 -15.143414 1 527 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 89.06 -13.515783 -4.0014296 -15.845608 1 528 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 84.77 -14.618797 -3.4690702 -15.776222 1 529 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 82.42 -13.306954 -5.127939 -16.547375 1 530 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 97.66 -10.658848 0.39014181 -17.102432 1 531 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 98.05 -10.297028 1.7963405 -17.256014 1 532 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 98.05 -9.213757 1.9068137 -18.31895 1 533 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 98.05 -8.600152 0.9117978 -18.704277 1 534 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 97.66 -9.780184 2.4110427 -15.930317 1 535 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 95.7 -10.903551 2.474833 -14.887649 1 536 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 94.92 -8.5941305 1.6015627 -15.408117 1 537 +ATOM N N . THR A0 1 69 . 69 THR A0 N 98.44 -8.982077 3.1274838 -18.787605 1 538 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 98.05 -7.9097967 3.3826978 -19.740852 1 539 +ATOM C C . THR A0 1 69 . 69 THR A0 C 98.44 -7.034487 4.510439 -19.203693 1 540 +ATOM O O . THR A0 1 69 . 69 THR A0 O 98.44 -7.543986 5.5596404 -18.806904 1 541 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 98.05 -8.463463 3.7734234 -21.122272 1 542 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 94.53 -9.256588 2.7021642 -21.641794 1 543 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 93.36 -7.3305926 4.080755 -22.095291 1 544 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 98.44 -5.731471 4.2622223 -19.155327 1 545 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 98.44 -4.7712793 5.2782903 -18.744987 1 546 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 98.44 -4.0833015 5.8093815 -19.998915 1 547 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 98.44 -3.7108173 5.038321 -20.886864 1 548 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 98.44 -3.732326 4.700594 -17.763964 1 549 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 98.05 -4.437546 4.170038 -16.507895 1 550 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 98.05 -2.6958013 5.7649784 -17.393274 1 551 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 96.88 -3.5177765 3.414174 -15.556962 1 552 +ATOM N N . SER A0 1 71 . 71 SER A0 N 98.83 -3.9355621 7.118744 -20.081814 1 553 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 98.44 -3.279076 7.746546 -21.227163 1 554 +ATOM C C . SER A0 1 71 . 71 SER A0 C 98.83 -2.4811995 8.953451 -20.76241 1 555 +ATOM O O . SER A0 1 71 . 71 SER A0 O 98.05 -2.5948014 9.380703 -19.61346 1 556 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 98.44 -4.305552 8.160819 -22.291115 1 557 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 96.48 -5.239309 9.083269 -21.76376 1 558 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 98.44 -1.6590437 9.477335 -21.655731 1 559 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 98.44 -0.84256387 10.629513 -21.31496 1 560 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 98.44 -0.7144612 11.580014 -22.49385 1 561 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 98.05 -0.7726753 11.171474 -23.649366 1 562 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 97.66 0.548843 10.186277 -20.85735 1 563 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 98.44 -0.57392496 12.848049 -22.181343 1 564 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 98.05 -0.28282857 13.885012 -23.17345 1 565 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 98.44 0.9341699 14.631294 -22.641747 1 566 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 97.66 0.8060055 15.545673 -21.82765 1 567 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 97.66 -1.4794095 14.836195 -23.349277 1 568 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 96.48 -1.2603866 15.851278 -24.466824 1 569 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 94.53 -0.10156109 16.013828 -24.91391 1 570 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 92.58 -2.2481737 16.487589 -24.892982 1 571 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 97.66 2.1138966 14.207746 -23.116383 1 572 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 97.27 3.333527 14.794781 -22.571873 1 573 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 97.66 3.533018 16.249733 -22.982597 1 574 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 96.88 4.3097553 16.960823 -22.355976 1 575 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 95.31 4.5568976 13.961105 -22.968029 1 576 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 91.8 4.75851 13.787774 -24.461113 1 577 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 91.02 5.9726954 12.884862 -24.712114 1 578 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 86.33 6.1189785 12.559222 -26.183956 1 579 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 83.2 7.258212 11.626338 -26.4058 1 580 +ATOM N N . SER A0 1 75 . 75 SER A0 N 97.66 2.807148 16.707012 -24.03811 1 581 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 97.27 2.931632 18.10315 -24.457434 1 582 +ATOM C C . SER A0 1 75 . 75 SER A0 C 97.27 2.3801026 19.060684 -23.407745 1 583 +ATOM O O . SER A0 1 75 . 75 SER A0 O 96.88 2.8043776 20.220768 -23.347383 1 584 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 96.48 2.2132003 18.332458 -25.791876 1 585 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 92.19 0.80779046 18.24086 -25.654799 1 586 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 98.05 1.4453331 18.578712 -22.572071 1 587 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 98.05 0.90557534 19.39434 -21.491901 1 588 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 98.05 1.1556336 18.758503 -20.132063 1 589 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 97.27 0.5117111 19.114197 -19.138828 1 590 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 97.66 -0.6026249 19.673286 -21.677567 1 591 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 96.09 -1.383564 18.372995 -21.794977 1 592 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 95.7 -0.83708614 20.55862 -22.900997 1 593 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 93.36 -2.8955865 18.553972 -21.767393 1 594 +ATOM N N . SER A0 1 77 . 77 SER A0 N 98.05 2.0885148 17.813648 -20.073086 1 595 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 98.05 2.5090628 17.170395 -18.830902 1 596 +ATOM C C . SER A0 1 77 . 77 SER A0 C 98.44 1.3228148 16.646378 -18.029638 1 597 +ATOM O O . SER A0 1 77 . 77 SER A0 O 98.44 1.2450548 16.83189 -16.81409 1 598 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 98.05 3.33564 18.140528 -17.980137 1 599 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 94.92 4.480977 18.595543 -18.67266 1 600 +ATOM N N . THR A0 1 78 . 78 THR A0 N 98.05 0.40784752 15.959194 -18.718914 1 601 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 98.44 -0.80746645 15.492249 -18.073997 1 602 +ATOM C C . THR A0 1 78 . 78 THR A0 C 98.44 -1.0632827 14.019686 -18.378466 1 603 +ATOM O O . THR A0 1 78 . 78 THR A0 O 98.05 -0.92089194 13.578958 -19.523537 1 604 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 98.44 -2.018797 16.32748 -18.520542 1 605 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 96.88 -1.7902887 17.704319 -18.19358 1 606 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 96.88 -3.2978237 15.860797 -17.837292 1 607 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 98.44 -1.4324112 13.263109 -17.334965 1 608 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 98.44 -1.8818511 11.89278 -17.511524 1 609 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 98.83 -3.3681698 11.833277 -17.181816 1 610 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 98.44 -3.890612 12.6561985 -16.426842 1 611 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 98.05 -1.0963418 10.891846 -16.630768 1 612 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 94.53 0.38229406 10.909861 -16.994766 1 613 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 92.97 -1.3015993 11.186081 -15.158985 1 614 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 98.83 -4.057271 10.832306 -17.763905 1 615 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 98.83 -5.5000854 10.709921 -17.620918 1 616 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 98.44 -5.901001 9.307271 -17.18783 1 617 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 98.05 -5.2224617 8.3264885 -17.495934 1 618 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 98.44 -6.2106276 11.035903 -18.94083 1 619 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 98.44 -5.8843822 12.401823 -19.494923 1 620 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 98.05 -4.8996954 12.570539 -20.456814 1 621 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 97.66 -6.572985 13.522768 -19.051815 1 622 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 97.66 -4.5987844 13.820882 -20.9607 1 623 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 97.66 -6.2776623 14.781984 -19.552399 1 624 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 98.05 -5.2908115 14.920733 -20.505592 1 625 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 97.27 -4.990902 16.159126 -21.00188 1 626 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 98.44 -7.0063705 9.257095 -16.483528 1 627 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 98.44 -7.6772804 8.009099 -16.140087 1 628 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 98.44 -9.101906 8.142384 -16.652735 1 629 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 98.44 -9.783583 9.122459 -16.330269 1 630 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 98.83 -7.6771865 7.7834783 -14.624986 1 631 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 97.66 -8.389681 6.5202065 -14.122662 1 632 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 97.27 -8.513422 6.5668936 -12.597414 1 633 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 97.27 -7.6577015 5.2662373 -14.569904 1 634 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 98.44 -9.552767 7.1813536 -17.46162 1 635 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 98.44 -10.879755 7.3347635 -18.050184 1 636 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 98.83 -11.681507 6.038774 -18.044695 1 637 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 98.44 -11.123785 4.9402704 -18.060678 1 638 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 98.05 -10.794894 7.8869348 -19.476055 1 639 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 93.75 -10.045178 7.016576 -20.465717 1 640 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 91.02 -9.939016 7.690185 -21.82151 1 641 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 85.94 -10.865292 8.355221 -22.272402 1 642 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 83.98 -8.792318 7.542507 -22.47554 1 643 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 98.44 -12.983507 6.2168703 -18.003162 1 644 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 98.05 -13.963612 5.143163 -18.073496 1 645 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 98.44 -14.856514 5.400834 -19.29018 1 646 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 98.05 -15.259159 6.5421386 -19.551569 1 647 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 97.66 -14.864908 5.1142282 -16.835886 1 648 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 96.88 -14.201542 4.8415813 -15.5233555 1 649 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 94.53 -14.182094 3.6523242 -14.8577385 1 650 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 97.27 -13.496046 5.7673492 -14.696018 1 651 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 94.53 -13.514864 3.7969315 -13.6701975 1 652 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 96.88 -13.071505 5.076787 -13.551094 1 653 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 95.31 -13.166016 7.127454 -14.825822 1 654 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 96.09 -12.345921 5.6946626 -12.530031 1 655 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 95.31 -12.44613 7.732256 -13.813187 1 656 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 95.31 -12.037655 7.008173 -12.686709 1 657 +ATOM N N . SER A0 1 84 . 84 SER A0 N 98.05 -15.185326 4.3386393 -20.001205 1 658 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 97.66 -16.144094 4.4757023 -21.097174 1 659 +ATOM C C . SER A0 1 84 . 84 SER A0 C 97.66 -17.578213 4.328509 -20.598331 1 660 +ATOM O O . SER A0 1 84 . 84 SER A0 O 96.88 -18.507639 4.85233 -21.208752 1 661 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 96.88 -15.870384 3.4221363 -22.1758 1 662 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 92.58 -16.010517 2.1216094 -21.649416 1 663 +ATOM N N . SER A0 1 85 . 85 SER A0 N 97.27 -17.729223 3.6126137 -19.486822 1 664 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 97.66 -19.04747 3.3970242 -18.896618 1 665 +ATOM C C . SER A0 1 85 . 85 SER A0 C 98.05 -18.88876 3.2151325 -17.389378 1 666 +ATOM O O . SER A0 1 85 . 85 SER A0 O 97.27 -18.457024 2.1606197 -16.925766 1 667 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 96.88 -19.731617 2.18355 -19.520332 1 668 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 92.97 -21.03075 1.9835297 -18.96876 1 669 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 97.66 -19.254696 4.2476707 -16.6376 1 670 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 97.66 -19.092995 4.2280064 -15.19205 1 671 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 97.27 -20.114574 3.3162827 -14.5225525 1 672 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 96.88 -21.24583 3.1659832 -15.001622 1 673 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 97.66 -19.224373 5.643919 -14.620569 1 674 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 97.27 -18.054998 6.5885344 -14.858595 1 675 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 96.48 -18.500814 8.03509 -14.642469 1 676 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 96.09 -16.910002 6.237739 -13.911476 1 677 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 97.27 -19.689234 2.722157 -13.401718 1 678 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 96.88 -20.555218 1.9235947 -12.546281 1 679 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 97.27 -20.623219 2.5925605 -11.186782 1 680 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 96.09 -19.711021 3.3332615 -10.795559 1 681 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 96.09 -20.011562 0.49554396 -12.399006 1 682 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 93.36 -19.865597 -0.23910162 -13.708816 1 683 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 88.67 -19.233536 -1.620038 -13.482322 1 684 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 82.03 -17.805254 -1.5262947 -13.005394 1 685 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 74.61 -16.882153 -0.9737655 -14.050987 1 686 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 94.53 -21.702995 2.3126361 -10.451635 1 687 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 94.53 -21.843155 2.8828719 -9.113957 1 688 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 95.31 -20.67643 2.479811 -8.221753 1 689 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 94.92 -20.258944 3.241868 -7.3449454 1 690 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 92.97 -23.170443 2.4552402 -8.493267 1 691 +ATOM N N . SER A0 1 89 . 89 SER A0 N 95.7 -20.138636 1.2789065 -8.455135 1 692 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 94.92 -19.026701 0.77802885 -7.660326 1 693 +ATOM C C . SER A0 1 89 . 89 SER A0 C 95.7 -17.714626 1.5069177 -7.9459066 1 694 +ATOM O O . SER A0 1 89 . 89 SER A0 O 95.31 -16.714478 1.2436323 -7.278649 1 695 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 94.14 -18.851337 -0.7300979 -7.8872213 1 696 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 89.06 -18.624966 -1.0185884 -9.247914 1 697 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 97.27 -17.707455 2.4041817 -8.937433 1 698 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 97.27 -16.522831 3.2085717 -9.217199 1 699 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 97.27 -16.40707 4.411667 -8.287235 1 700 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 97.27 -15.419762 5.146078 -8.360359 1 701 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 97.27 -16.53624 3.7007408 -10.677486 1 702 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 97.66 -16.34512 2.5663834 -11.668062 1 703 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 96.88 -17.010557 2.595841 -12.734701 1 704 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 96.88 -15.524614 1.6574546 -11.383326 1 705 +ATOM N N . THR A0 1 91 . 91 THR A0 N 95.7 -17.39716 4.6256485 -7.4352446 1 706 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 95.31 -17.35449 5.720256 -6.476302 1 707 +ATOM C C . THR A0 1 91 . 91 THR A0 C 96.09 -16.149357 5.543956 -5.5551763 1 708 +ATOM O O . THR A0 1 91 . 91 THR A0 O 95.7 -16.050022 4.5495586 -4.8422055 1 709 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 94.53 -18.648762 5.785503 -5.651257 1 710 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 93.36 -19.755875 6.071807 -6.5117936 1 711 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 93.36 -18.555588 6.853183 -4.5680428 1 712 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 96.48 -15.237245 6.4976187 -5.597415 1 713 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 96.48 -14.012928 6.3934765 -4.8180265 1 714 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 96.48 -13.173253 7.646308 -4.9903464 1 715 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 96.48 -13.449625 8.49119 -5.8428373 1 716 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 96.48 -13.201748 5.163309 -5.243273 1 717 +ATOM N N . MET A0 1 93 . 93 MET A0 N 97.66 -12.128007 7.7497387 -4.1584134 1 718 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 97.27 -11.103123 8.762409 -4.338485 1 719 +ATOM C C . MET A0 1 93 . 93 MET A0 C 97.66 -10.01861 8.160463 -5.2192445 1 720 +ATOM O O . MET A0 1 93 . 93 MET A0 O 97.66 -9.611481 7.008766 -5.013193 1 721 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 96.88 -10.513086 9.184273 -2.9879858 1 722 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 94.92 -9.4638195 10.278717 -3.0777597 1 723 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 93.36 -10.166174 11.887217 -3.4910626 1 724 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 88.67 -10.991692 12.276144 -1.940325 1 725 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 98.44 -9.5706005 8.91069 -6.209115 1 726 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 98.44 -8.529865 8.45079 -7.117777 1 727 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 98.44 -7.302607 9.349369 -6.999275 1 728 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 98.05 -7.412793 10.578589 -7.093919 1 729 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 98.44 -9.047094 8.420683 -8.564125 1 730 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 98.44 -10.142659 7.403686 -8.769373 1 731 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 98.05 -11.477535 7.730512 -8.530931 1 732 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 97.66 -9.846349 6.1036043 -9.163653 1 733 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 97.66 -12.485195 6.7873735 -8.681038 1 734 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 97.66 -10.84816 5.153207 -9.321552 1 735 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 98.44 -12.159975 5.501865 -9.076474 1 736 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 98.05 -13.15253 4.5664706 -9.2210865 1 737 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 98.83 -6.1486826 8.72538 -6.7698774 1 738 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 98.44 -4.8930607 9.445463 -6.63073 1 739 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 98.83 -3.9490936 9.118053 -7.783434 1 740 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 98.44 -3.8698013 7.9641876 -8.216486 1 741 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 98.44 -4.1799693 9.06794 -5.3271585 1 742 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 98.44 -4.89136 9.466997 -4.0611415 1 743 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 97.66 -5.611119 8.530733 -3.3228645 1 744 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 97.66 -4.8151646 10.769286 -3.576002 1 745 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 97.66 -6.2445583 8.888769 -2.1469657 1 746 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 97.27 -5.4495063 11.13106 -2.3978252 1 747 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 98.05 -6.156908 10.187359 -1.6909589 1 748 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 97.66 -6.77807 10.535147 -0.53025985 1 749 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 98.44 -3.237277 10.11932 -8.269576 1 750 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 98.83 -2.1045392 9.87211 -9.155512 1 751 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 98.83 -0.842361 10.066057 -8.33545 1 752 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 98.44 -0.84197253 10.775585 -7.323495 1 753 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 97.27 -2.113071 10.806528 -10.371456 1 754 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 96.09 -1.924108 12.564856 -10.00755 1 755 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 98.44 0.23388544 9.379948 -8.73528 1 756 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 98.44 1.4740223 9.461799 -7.9794183 1 757 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 98.44 2.6579459 9.154919 -8.887175 1 758 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 98.44 2.558585 8.325029 -9.791467 1 759 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 98.05 1.4496481 8.498703 -6.791857 1 760 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 97.66 3.7912884 9.845909 -8.642699 1 761 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 98.05 5.000147 9.628437 -9.421645 1 762 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 97.66 5.7141256 8.381439 -8.930311 1 763 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 97.27 5.9583697 8.231534 -7.7278438 1 764 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 97.27 5.9399996 10.835905 -9.331937 1 765 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 96.09 7.1223 10.738629 -10.295383 1 766 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 95.31 8.054235 11.927431 -10.156237 1 767 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 93.75 8.943953 11.794788 -8.999849 1 768 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 93.75 10.018328 12.542494 -8.801078 1 769 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 91.41 10.360105 13.470799 -9.682573 1 770 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 91.41 10.751949 12.358926 -7.71665 1 771 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 97.66 6.038563 7.502964 -9.868108 1 772 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 97.27 6.6774316 6.22993 -9.53874 1 773 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 97.27 8.185041 6.3015413 -9.774694 1 774 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 96.48 8.632902 6.630641 -10.882576 1 775 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 96.48 6.0716305 5.1009073 -10.381248 1 776 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 96.09 6.490497 3.728261 -9.952155 1 777 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 92.58 7.1629343 2.8668308 -10.788456 1 778 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 92.58 6.308222 3.0627737 -8.795729 1 779 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 92.19 7.3793416 1.7215484 -10.150909 1 780 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 92.97 6.871733 1.8229437 -8.929446 1 781 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 96.09 8.944027 6.0106072 -8.733103 1 782 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 95.31 10.399601 5.960093 -8.796667 1 783 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 94.53 10.830513 4.4952736 -8.872934 1 784 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 93.36 10.356527 3.6682224 -8.09808 1 785 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 94.92 11.050507 6.620348 -7.5604124 1 786 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 94.14 10.666257 8.102592 -7.482076 1 787 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 92.58 12.567667 6.442643 -7.5924797 1 788 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 91.41 11.244429 8.959164 -8.588964 1 789 +ATOM N N . THR A0 1 101 . 101 THR A0 N 93.36 11.713091 4.190633 -9.823435 1 790 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 92.58 12.265544 2.8468568 -9.920742 1 791 +ATOM C C . THR A0 1 101 . 101 THR A0 C 92.97 13.76066 2.9053764 -9.611884 1 792 +ATOM O O . THR A0 1 101 . 101 THR A0 O 91.41 14.529257 3.537045 -10.344162 1 793 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 91.41 12.053239 2.2407572 -11.317068 1 794 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 88.28 12.548925 3.1323643 -12.310621 1 795 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 87.89 10.577687 1.9719479 -11.574432 1 796 +ATOM N N . THR A0 1 102 . 102 THR A0 N 91.8 14.170533 2.276355 -8.514303 1 797 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 91.41 15.586331 2.2114096 -8.17585 1 798 +ATOM C C . THR A0 1 102 . 102 THR A0 C 91.41 16.306152 1.2088233 -9.064894 1 799 +ATOM O O . THR A0 1 102 . 102 THR A0 O 89.84 17.505787 1.3388402 -9.30386 1 800 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 89.84 15.789546 1.8556917 -6.6930294 1 801 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 86.72 15.102307 0.63906664 -6.387434 1 802 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 85.55 15.261633 2.9663572 -5.793666 1 803 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 90.23 15.591144 0.21557315 -9.535835 1 804 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 90.23 15.993087 -0.67610437 -10.608805 1 805 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 89.84 14.760025 -1.4199195 -11.074882 1 806 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 88.67 13.654779 -1.1510067 -10.589562 1 807 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 89.06 17.122633 -1.6257074 -10.191392 1 808 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 88.28 16.783266 -2.6016624 -9.106934 1 809 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 83.59 15.905991 -3.6521325 -9.296338 1 810 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 83.59 17.2243 -2.7076435 -7.840448 1 811 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 83.2 15.818164 -4.356797 -8.17454 1 812 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 83.59 16.612188 -3.7892854 -7.2779274 1 813 +ATOM N N . THR A0 1 104 . 104 THR A0 N 89.06 14.900066 -2.3466902 -12.012831 1 814 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 89.06 13.766206 -3.010833 -12.628161 1 815 +ATOM C C . THR A0 1 104 . 104 THR A0 C 89.06 12.811192 -3.632423 -11.616795 1 816 +ATOM O O . THR A0 1 104 . 104 THR A0 O 87.89 11.596147 -3.6711378 -11.842129 1 817 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 87.5 14.252094 -4.0888567 -13.609896 1 818 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 84.38 15.141639 -3.4944804 -14.561043 1 819 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 83.59 13.07902 -4.728098 -14.356508 1 820 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 89.84 13.321874 -4.1001024 -10.494723 1 821 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 89.84 12.529129 -4.849795 -9.536581 1 822 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 91.02 12.224978 -4.1015835 -8.240292 1 823 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 89.84 11.752968 -4.711569 -7.280401 1 824 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 87.89 13.2170515 -6.1764116 -9.217419 1 825 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 85.55 13.471608 -7.0064783 -10.459236 1 826 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 82.42 14.743363 -7.1017666 -11.016621 1 827 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 81.64 12.42743 -7.6745563 -11.092707 1 828 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 78.91 14.96493 -7.8486676 -12.162345 1 829 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 78.12 12.6488 -8.42304 -12.238778 1 830 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 78.12 13.913838 -8.509876 -12.770132 1 831 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 76.56 14.139575 -9.243034 -13.901939 1 832 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 92.19 12.486582 -2.8001864 -8.190314 1 833 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 92.19 12.157929 -1.9903177 -7.0252156 1 834 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 92.58 11.445816 -0.7299674 -7.476797 1 835 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 91.41 11.848296 -0.11616171 -8.465096 1 836 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 90.23 13.415477 -1.5846311 -6.2366185 1 837 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 86.33 14.176136 -2.712552 -5.5984497 1 838 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 83.98 15.263721 -2.1031923 -4.7415986 1 839 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 80.47 16.295906 -3.0403347 -4.370164 1 840 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 77.73 17.426489 -2.7042718 -3.7606585 1 841 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 73.05 18.303019 -3.6233945 -3.4688127 1 842 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 73.05 17.651333 -1.4301875 -3.4623952 1 843 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 95.31 10.433016 -0.33928332 -6.718751 1 844 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 95.31 9.722025 0.8759267 -7.060832 1 845 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 95.7 8.817579 1.3467971 -5.9370384 1 846 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 94.92 8.38756 0.5589712 -5.0956583 1 847 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 96.88 8.52838 2.6457155 -5.941497 1 848 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 96.88 7.6680646 3.2526708 -4.938304 1 849 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 97.27 7.142628 4.5718765 -5.4703736 1 850 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 96.88 7.6409645 5.097418 -6.4700117 1 851 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 96.48 8.4253 3.4664319 -3.6148858 1 852 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 96.48 9.7098465 4.2390018 -3.7822015 1 853 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 95.31 10.900677 3.5801563 -4.031563 1 854 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 95.31 9.718869 5.6244984 -3.7028317 1 855 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 94.14 12.090015 4.2898874 -4.1903224 1 856 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 94.53 10.897762 6.328596 -3.8612013 1 857 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 94.53 12.07946 5.6661654 -4.10503 1 858 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 97.66 6.123705 5.1249185 -4.797576 1 859 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 98.05 5.5458946 6.4081254 -5.171611 1 860 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 98.05 6.031884 7.4779463 -4.200573 1 861 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 97.66 5.7091384 7.4263506 -3.0112398 1 862 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 98.05 4.012656 6.335157 -5.144783 1 863 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 98.05 3.4236798 5.389138 -6.1642365 1 864 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 97.27 2.7376282 4.2531986 -5.7658777 1 865 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 97.27 3.548003 5.6494837 -7.5198393 1 866 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 96.88 2.186057 3.3877463 -6.704465 1 867 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 96.88 3.0037308 4.793314 -8.463689 1 868 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 97.66 2.3162277 3.660317 -8.0510845 1 869 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 97.66 6.8104935 8.440931 -4.686656 1 870 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 97.27 7.359866 9.443693 -3.7744393 1 871 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 97.66 6.530734 10.715815 -3.6935306 1 872 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 97.27 6.575885 11.405933 -2.6697702 1 873 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 96.09 8.821769 9.770008 -4.106757 1 874 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 94.53 9.039617 10.390063 -5.4805374 1 875 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 92.19 8.116415 10.358145 -6.317047 1 876 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 91.02 10.15266 10.921824 -5.7111382 1 877 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 98.05 5.778901 11.067333 -4.7239428 1 878 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 98.05 4.9188676 12.245783 -4.694529 1 879 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 98.05 3.522263 11.874033 -5.1731663 1 880 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 98.05 3.3812795 11.149386 -6.1578045 1 881 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 96.88 5.495407 13.380244 -5.5501113 1 882 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 95.7 6.693754 14.048204 -4.93379 1 883 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 93.36 7.981657 13.63953 -5.2588644 1 884 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 92.97 6.53424 15.07729 -4.0203905 1 885 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 91.41 9.087673 14.241241 -4.6831007 1 886 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 91.02 7.6403294 15.687424 -3.4396844 1 887 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 91.41 8.914671 15.267932 -3.7745974 1 888 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 98.44 2.5185194 12.383283 -4.469656 1 889 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 98.83 1.127321 12.069883 -4.75865 1 890 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 98.44 0.3311144 13.330429 -5.065135 1 891 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 98.44 0.6008737 14.40241 -4.5147505 1 892 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 98.83 0.47050592 11.367996 -3.5571847 1 893 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 98.44 1.0363412 10.0275955 -3.2240682 1 894 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 98.44 2.294328 9.750946 -2.7734313 1 895 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 98.44 0.34096566 8.780835 -3.2877378 1 896 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 98.44 2.4302068 8.4042015 -2.5493429 1 897 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 98.44 1.24489 7.7830467 -2.8689814 1 898 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 98.44 -0.96201473 8.403069 -3.665523 1 899 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 98.05 0.8945098 6.4328756 -2.8005505 1 900 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 98.44 -1.308645 7.067893 -3.6073422 1 901 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 98.05 -0.38942498 6.0983615 -3.181362 1 902 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 98.44 -0.67428935 13.181639 -5.938545 1 903 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 98.44 -1.6302168 14.26139 -6.164667 1 904 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 98.44 -2.5794125 14.363508 -4.985604 1 905 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 98.05 -2.5972693 13.5079975 -4.100651 1 906 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 98.05 -3.3997602 15.40789 -4.978388 1 907 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 97.66 -4.3037243 15.6406555 -3.857549 1 908 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 97.66 -5.5260887 14.73963 -3.8956604 1 909 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 97.27 -6.2654715 14.667196 -2.9083648 1 910 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 97.27 -4.740596 17.119934 -3.8183007 1 911 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 96.48 -5.894512 17.488426 -4.773096 1 912 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 96.48 -5.4497337 17.762714 -6.2039003 1 913 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 95.31 -4.3232794 17.40103 -6.611192 1 914 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 94.53 -6.3408413 18.396706 -6.9701247 1 915 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 97.66 -5.750639 14.056145 -5.00025 1 916 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 97.66 -6.8866205 13.160433 -5.128135 1 917 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 97.66 -8.066185 13.780047 -5.865229 1 918 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 97.27 -8.258796 14.99523 -5.8359737 1 919 +ATOM N N . THR A0 1 116 . 116 THR A0 N 97.27 -8.836698 12.924767 -6.5372567 1 920 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 97.66 -10.055461 13.344389 -7.2192783 1 921 +ATOM C C . THR A0 1 116 . 116 THR A0 C 97.27 -11.184198 12.423117 -6.764162 1 922 +ATOM O O . THR A0 1 116 . 116 THR A0 O 97.27 -11.107357 11.207287 -6.943548 1 923 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 97.66 -9.91169 13.258899 -8.7514 1 924 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 96.88 -8.894348 14.15725 -9.195721 1 925 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 96.48 -11.231811 13.607805 -9.436126 1 926 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 95.7 -12.228609 13.006347 -6.1726713 1 927 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 94.92 -13.369965 12.22408 -5.727662 1 928 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 95.7 -14.340988 12.031118 -6.8876085 1 929 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 94.92 -14.790452 13.008419 -7.501747 1 930 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 93.36 -14.084082 12.910332 -4.5584517 1 931 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 89.45 -15.325906 12.186205 -4.0260897 1 932 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 87.5 -16.04227 13.041704 -2.9925961 1 933 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 87.11 -14.962209 10.817783 -3.4602418 1 934 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 96.48 -14.641436 10.769659 -7.194875 1 935 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 96.48 -15.592964 10.436134 -8.246243 1 936 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 96.09 -16.807549 9.79166 -7.599117 1 937 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 95.7 -16.680471 8.791691 -6.889962 1 938 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 96.88 -14.976433 9.482912 -9.292866 1 939 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 96.48 -16.032745 9.038456 -10.299034 1 940 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 96.48 -13.800777 10.159353 -9.997784 1 941 +ATOM N N . THR A0 1 119 . 119 THR A0 N 94.92 -17.980679 10.3744755 -7.8225727 1 942 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 94.92 -19.226822 9.842171 -7.29817 1 943 +ATOM C C . THR A0 1 119 . 119 THR A0 C 95.31 -20.0998 9.407682 -8.472392 1 944 +ATOM O O . THR A0 1 119 . 119 THR A0 O 94.92 -20.374949 10.205925 -9.376207 1 945 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 93.75 -19.969952 10.888149 -6.449495 1 946 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 91.8 -19.12886 11.304223 -5.3646317 1 947 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 91.8 -21.269947 10.317023 -5.8974123 1 948 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 96.48 -20.504929 8.141094 -8.466358 1 949 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 96.48 -21.334091 7.6026316 -9.538639 1 950 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 95.7 -22.649529 7.126604 -8.943525 1 951 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 94.92 -22.672922 6.2320232 -8.1021385 1 952 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 96.48 -20.635502 6.440997 -10.277815 1 953 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 95.7 -21.469597 5.999783 -11.470153 1 954 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 95.7 -19.23375 6.849639 -10.718134 1 955 +ATOM N N . SER A0 1 121 . 121 SER A0 N 96.09 -23.734856 7.726994 -9.378199 1 956 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 95.7 -25.046339 7.388005 -8.846672 1 957 +ATOM C C . SER A0 1 121 . 121 SER A0 C 95.7 -26.129765 7.8092885 -9.834885 1 958 +ATOM O O . SER A0 1 121 . 121 SER A0 O 94.92 -25.962276 8.793645 -10.562126 1 959 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 94.92 -25.270613 8.07048 -7.4996824 1 960 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 92.97 -26.595741 7.873745 -7.0364723 1 961 +ATOM N N . SER A0 1 122 . 122 SER A0 N 95.7 -27.244015 7.0554504 -9.832622 1 962 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 94.92 -28.390545 7.4260693 -10.654336 1 963 +ATOM C C . SER A0 1 122 . 122 SER A0 C 95.31 -29.24163 8.507042 -10.001541 1 964 +ATOM O O . SER A0 1 122 . 122 SER A0 O 93.75 -30.178556 9.019495 -10.619455 1 965 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 93.75 -29.261082 6.1948566 -10.943926 1 966 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 89.84 -29.75629 5.6242857 -9.741121 1 967 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 94.92 -28.915726 8.837659 -8.747301 1 968 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 95.31 -29.669693 9.840647 -8.013301 1 969 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 95.31 -29.469929 11.222943 -8.61859 1 970 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 94.14 -28.40506 11.538607 -9.137058 1 971 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 94.53 -29.266577 9.839697 -6.5434303 1 972 +ATOM N N . SER A0 1 124 . 124 SER A0 N 94.53 -30.521818 12.023699 -8.520751 1 973 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 94.14 -30.448326 13.4140215 -8.954937 1 974 +ATOM C C . SER A0 1 124 . 124 SER A0 C 94.92 -30.151756 14.306297 -7.7585535 1 975 +ATOM O O . SER A0 1 124 . 124 SER A0 O 94.14 -30.42165 13.937815 -6.609887 1 976 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 92.97 -31.764765 13.848677 -9.603645 1 977 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 87.11 -32.072754 13.06263 -10.743703 1 978 +ATOM N N . THR A0 1 125 . 125 THR A0 N 94.92 -29.575436 15.454324 -8.052146 1 979 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 94.92 -29.28107 16.400002 -6.9785576 1 980 +ATOM C C . THR A0 1 125 . 125 THR A0 C 94.92 -30.55703 16.714716 -6.2050295 1 981 +ATOM O O . THR A0 1 125 . 125 THR A0 O 94.53 -31.58405 17.055342 -6.792927 1 982 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 94.14 -28.681637 17.699005 -7.545562 1 983 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 91.41 -27.453629 17.401932 -8.215115 1 984 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 90.62 -28.428902 18.716076 -6.4417725 1 985 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 97.27 -30.46908 16.571417 -4.899048 1 986 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 96.88 -31.631317 16.777348 -4.0536504 1 987 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 97.27 -31.19693 17.35196 -2.7127855 1 988 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 96.48 -30.25214 16.862122 -2.089326 1 989 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 96.48 -32.37863 15.458441 -3.8360176 1 990 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 95.31 -33.608677 15.57751 -2.9421563 1 991 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 93.36 -34.282967 14.232194 -2.7387152 1 992 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 90.23 -35.5345 14.342919 -1.8711336 1 993 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 86.33 -35.207756 14.880468 -0.51515794 1 994 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 97.27 -31.899109 18.378664 -2.2867646 1 995 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 97.66 -31.631113 18.963276 -0.98291427 1 996 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 97.66 -32.19098 18.098986 0.12890126 1 997 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 97.66 -33.12799 17.32694 -0.07847414 1 998 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 98.05 -31.629257 18.220127 1.3304958 1 999 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 98.05 -32.056633 17.352943 2.431835 1 1000 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 97.66 -33.34159 17.813478 3.0995703 1 1001 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 97.66 -33.692207 18.998074 3.0563815 1 1002 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 97.66 -30.890581 17.452124 3.4208179 1 1003 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 96.88 -30.382582 18.841461 3.2215052 1 1004 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 97.27 -30.50847 19.104828 1.7295797 1 1005 +ATOM N N . SER A0 1 129 . 129 SER A0 N 98.05 -34.01611 16.848953 3.705653 1 1006 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 98.05 -35.086876 17.146696 4.6548233 1 1007 +ATOM C C . SER A0 1 129 . 129 SER A0 C 98.44 -34.434216 17.134327 6.0252366 1 1008 +ATOM O O . SER A0 1 129 . 129 SER A0 O 98.05 -33.622925 16.24545 6.3197565 1 1009 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 97.27 -36.200394 16.100784 4.583867 1 1010 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 93.36 -36.794456 16.056095 3.293943 1 1011 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 98.05 -34.746162 18.105743 6.839196 1 1012 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 98.05 -34.12556 18.218777 8.153866 1 1013 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 98.05 -35.190666 17.99963 9.224375 1 1014 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 97.66 -36.16987 18.744158 9.307093 1 1015 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 98.05 -33.4365 19.586176 8.343677 1 1016 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 96.88 -32.742096 19.652538 9.699451 1 1017 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 96.48 -32.435673 19.832775 7.2168474 1 1018 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 98.05 -34.97937 16.97041 10.033812 1 1019 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 98.44 -35.928696 16.607876 11.08045 1 1020 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 98.44 -35.275276 16.74562 12.449308 1 1021 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 98.05 -34.085587 16.449501 12.601395 1 1022 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 98.05 -36.430527 15.169123 10.893623 1 1023 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 98.05 -37.055424 14.91814 9.553007 1 1024 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 95.7 -36.489433 14.011042 8.672855 1 1025 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 95.7 -38.20898 15.586397 9.186972 1 1026 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 95.7 -37.07084 13.779603 7.4392643 1 1027 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 95.7 -38.79216 15.363466 7.951875 1 1028 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 97.27 -38.218185 14.453962 7.080636 1 1029 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 98.05 -36.05391 17.166018 13.44426 1 1030 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 97.66 -35.472015 17.320072 14.776351 1 1031 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 97.66 -35.324947 15.987683 15.495773 1 1032 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 97.27 -36.1583 15.089087 15.336907 1 1033 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 97.27 -36.48501 18.220564 15.502094 1 1034 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 95.7 -37.7883 17.86269 14.871838 1 1035 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 96.88 -37.46675 17.598148 13.41761 1 1036 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 97.27 -34.250908 15.851277 16.22586 1 1037 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 97.27 -34.076744 14.783546 17.200197 1 1038 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 96.88 -34.322083 15.459682 18.54004 1 1039 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 96.09 -33.407814 15.986621 19.175581 1 1040 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 97.66 -32.665356 14.187669 17.117912 1 1041 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 97.27 -32.312393 13.534657 15.783543 1 1042 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 95.7 -30.830563 13.201321 15.71324 1 1043 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 94.92 -33.15435 12.297106 15.548508 1 1044 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 95.7 -35.594673 15.470161 18.937077 1 1045 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 94.92 -36.03327 16.262413 20.083286 1 1046 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 94.92 -35.58525 15.664758 21.416183 1 1047 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 93.75 -35.65501 14.456699 21.617847 1 1048 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 94.14 -37.549946 16.416676 20.063427 1 1049 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 92.97 -35.14787 16.530289 22.331348 1 1050 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 92.19 -34.78499 16.045925 23.661293 1 1051 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 90.62 -36.025665 15.626283 24.439257 1 1052 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 87.89 -37.103024 16.207108 24.285973 1 1053 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 91.41 -34.107327 17.261272 24.30867 1 1054 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 89.84 -34.733715 18.432076 23.621815 1 1055 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 91.02 -34.975697 17.982237 22.205357 1 1056 +ATOM N N . SER A0 1 136 . 136 SER A0 N 83.59 -35.886024 14.600545 25.245998 1 1057 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 83.2 -36.982838 14.086661 26.054897 1 1058 +ATOM C C . SER A0 1 136 . 136 SER A0 C 83.98 -36.403744 13.337282 27.24143 1 1059 +ATOM O O . SER A0 1 136 . 136 SER A0 O 80.86 -35.187416 13.324734 27.448778 1 1060 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 79.3 -37.881905 13.159969 25.235046 1 1061 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 75.0 -37.190506 11.949948 24.929127 1 1062 +ATOM N N . SER A0 1 137 . 137 SER A0 N 78.91 -37.27134 12.693808 27.99059 1 1063 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 76.95 -36.803207 11.894711 29.114113 1 1064 +ATOM C C . SER A0 1 137 . 137 SER A0 C 78.52 -35.981056 10.703829 28.643616 1 1065 +ATOM O O . SER A0 1 137 . 137 SER A0 O 74.22 -35.244907 10.110998 29.435047 1 1066 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 73.44 -37.995346 11.41394 29.955523 1 1067 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 67.97 -38.832035 10.547218 29.214579 1 1068 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 75.0 -36.110306 10.360832 27.351974 1 1069 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 73.05 -35.354553 9.253004 26.777077 1 1070 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 73.44 -33.998627 9.696872 26.246658 1 1071 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 68.75 -33.199783 8.855508 25.832348 1 1072 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 69.53 -36.161247 8.599218 25.64338 1 1073 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 64.84 -37.55018 8.1157 26.064337 1 1074 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 61.33 -37.46312 7.0371284 27.14432 1 1075 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 57.42 -38.852077 6.5359497 27.544695 1 1076 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 53.91 -38.771786 5.498877 28.602798 1 1077 +ATOM N N . SER A0 1 139 . 139 SER A0 N 75.0 -33.744926 11.001508 26.21447 1 1078 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 73.83 -32.46408 11.531994 25.760857 1 1079 +ATOM C C . SER A0 1 139 . 139 SER A0 C 75.39 -31.852396 12.443333 26.808561 1 1080 +ATOM O O . SER A0 1 139 . 139 SER A0 O 71.88 -31.191738 13.418696 26.486115 1 1081 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 70.31 -32.62592 12.2785425 24.439472 1 1082 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 66.8 -33.487164 13.397623 24.580881 1 1083 +ATOM N N . THR A0 1 140 . 140 THR A0 N 76.56 -32.09131 12.110982 28.077824 1 1084 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 76.56 -31.510502 12.838368 29.186962 1 1085 +ATOM C C . THR A0 1 140 . 140 THR A0 C 78.12 -30.795975 11.86532 30.110817 1 1086 +ATOM O O . THR A0 1 140 . 140 THR A0 O 74.61 -31.243744 10.732139 30.310379 1 1087 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 72.66 -32.57418 13.613653 29.98613 1 1088 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 67.19 -33.57253 12.709457 30.45478 1 1089 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 65.23 -33.23263 14.6877165 29.121037 1 1090 +ATOM N N . SER A0 1 141 . 141 SER A0 N 75.0 -29.688606 12.301409 30.652225 1 1091 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 74.61 -28.90432 11.499148 31.59313 1 1092 +ATOM C C . SER A0 1 141 . 141 SER A0 C 76.17 -28.37425 12.4319935 32.668217 1 1093 +ATOM O O . SER A0 1 141 . 141 SER A0 O 72.27 -27.482708 13.2435465 32.414185 1 1094 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 70.7 -27.770409 10.792438 30.88083 1 1095 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 66.41 -26.981037 10.040144 31.793276 1 1096 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 76.95 -28.9377 12.3043785 33.85872 1 1097 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 76.17 -28.559603 13.212717 34.923157 1 1098 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 78.12 -28.9627 14.632478 34.569546 1 1099 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 73.83 -30.121372 14.894222 34.265823 1 1100 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 84.38 -28.017076 15.5411415 34.570316 1 1101 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 85.16 -28.30357 16.92612 34.227814 1 1102 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 87.5 -27.973225 17.277458 32.790726 1 1103 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 85.55 -27.890089 18.458778 32.444717 1 1104 +ATOM N N . THR A0 1 144 . 144 THR A0 N 90.23 -27.796465 16.247297 31.946081 1 1105 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 90.62 -27.436464 16.45685 30.547085 1 1106 +ATOM C C . THR A0 1 144 . 144 THR A0 C 91.41 -28.525675 15.920434 29.623722 1 1107 +ATOM O O . THR A0 1 144 . 144 THR A0 O 90.23 -29.06823 14.841356 29.855747 1 1108 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 88.28 -26.100449 15.7812 30.219084 1 1109 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 83.2 -25.065933 16.344297 31.026161 1 1110 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 81.64 -25.737057 15.964943 28.749023 1 1111 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 93.75 -28.819263 16.675045 28.58189 1 1112 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 94.14 -29.794544 16.254927 27.582539 1 1113 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 94.92 -29.118671 16.203491 26.215351 1 1114 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 94.14 -28.24016 17.015377 25.917488 1 1115 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 92.58 -30.981401 17.213688 27.53743 1 1116 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 95.7 -29.525747 15.232575 25.397638 1 1117 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 95.7 -29.018648 15.131714 24.039059 1 1118 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 96.09 -30.127632 15.516836 23.065193 1 1119 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 95.7 -31.286983 15.145957 23.253006 1 1120 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 95.7 -28.522652 13.72097 23.746979 1 1121 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 97.27 -29.781166 16.24639 22.041084 1 1122 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 96.88 -30.714622 16.630745 21.002563 1 1123 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 96.88 -29.943897 16.719654 19.68488 1 1124 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 97.27 -28.709146 16.718765 19.67351 1 1125 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 96.48 -31.401756 17.970093 21.323296 1 1126 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 95.31 -30.502876 19.186989 21.533745 1 1127 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 93.36 -30.398045 20.004272 20.248558 1 1128 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 92.97 -31.019415 20.050398 22.672825 1 1129 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 98.05 -30.674343 16.794228 18.581688 1 1130 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 97.66 -29.973642 16.87394 17.315285 1 1131 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 97.66 -30.887903 17.099174 16.129837 1 1132 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 97.66 -32.067093 17.44528 16.278954 1 1133 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 98.05 -30.302935 16.923578 14.958873 1 1134 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 98.44 -31.022034 17.054638 13.699887 1 1135 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 98.44 -30.684528 15.872629 12.806051 1 1136 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 98.05 -29.51432 15.473978 12.7094 1 1137 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 97.66 -30.660675 18.357328 12.984283 1 1138 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 91.02 -31.404472 19.819515 13.68016 1 1139 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 98.44 -31.711021 15.307821 12.167319 1 1140 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 98.44 -31.52836 14.247953 11.186486 1 1141 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 98.44 -31.602104 14.898331 9.807017 1 1142 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 98.44 -32.63485 15.461087 9.431609 1 1143 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 98.44 -32.61799 13.18221 11.339747 1 1144 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 98.05 -32.622684 12.047869 10.318785 1 1145 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 95.7 -33.852974 11.158995 10.532096 1 1146 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 95.7 -31.34094 11.234928 10.393433 1 1147 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 98.44 -30.493027 14.838741 9.0776615 1 1148 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 98.44 -30.392385 15.447607 7.7547 1 1149 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 98.44 -30.51275 14.316532 6.740596 1 1150 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 98.05 -29.552578 13.583626 6.482932 1 1151 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 98.05 -29.060574 16.208923 7.5953703 1 1152 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 96.88 -29.016935 16.93618 6.262025 1 1153 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 96.09 -28.877577 17.193436 8.755651 1 1154 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 98.44 -31.70409 14.165995 6.178466 1 1155 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 98.44 -32.033615 12.955126 5.434306 1 1156 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 98.05 -32.315716 13.201719 3.952281 1 1157 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 98.05 -32.85656 14.248556 3.564089 1 1158 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 97.66 -33.24032 12.2649765 6.07488 1 1159 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 96.88 -33.450066 10.832197 5.6175194 1 1160 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 94.92 -34.53645 10.153131 6.4346685 1 1161 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 93.75 -34.666267 8.671224 6.0906196 1 1162 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 89.84 -35.06153 8.445862 4.686212 1 1163 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 98.05 -31.93151 12.2335 3.1550353 1 1164 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 98.05 -32.277527 12.114931 1.7380695 1 1165 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 97.66 -31.75164 13.279598 0.9020112 1 1166 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 97.66 -32.515778 14.038649 0.29957306 1 1167 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 97.27 -33.79127 11.976217 1.5722841 1 1168 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 96.88 -34.33098 10.692467 2.1651006 1 1169 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 96.09 -33.55156 9.723013 2.2999158 1 1170 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 95.31 -35.530563 10.638815 2.4915383 1 1171 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 97.27 -30.429207 13.384955 0.8125862 1 1172 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 97.66 -29.812622 14.395922 -0.0358583 1 1173 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 97.27 -28.786732 13.757368 -0.9640363 1 1174 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 97.27 -28.3367 12.631897 -0.7400054 1 1175 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 97.66 -29.162848 15.51416 0.7959758 1 1176 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 97.66 -27.986368 15.062313 1.6344266 1 1177 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 96.88 -28.16547 14.613677 2.9435802 1 1178 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 96.88 -26.692513 15.113736 1.1315904 1 1179 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 96.88 -27.086245 14.218008 3.7178538 1 1180 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 96.88 -25.610847 14.726391 1.9004526 1 1181 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 97.27 -25.81133 14.280033 3.1969619 1 1182 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 97.66 -24.745434 13.893217 3.9568758 1 1183 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 96.88 -28.446938 14.482906 -2.0088978 1 1184 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 96.48 -27.434982 14.030743 -2.9669676 1 1185 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 96.48 -26.948933 15.227762 -3.772119 1 1186 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 96.09 -27.754654 16.081081 -4.1525736 1 1187 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 96.09 -28.009743 12.972106 -3.9117281 1 1188 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 95.7 -26.980343 12.4305525 -4.863695 1 1189 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 94.92 -26.80576 13.002138 -6.1202726 1 1190 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 94.53 -26.161543 11.375841 -4.501562 1 1191 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 93.36 -25.840351 12.522691 -6.990924 1 1192 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 93.36 -25.19585 10.898682 -5.3665895 1 1193 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 93.75 -25.0327 11.464366 -6.614075 1 1194 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 94.53 -25.65475 15.297783 -4.047763 1 1195 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 94.92 -24.574062 14.46015 -3.5146923 1 1196 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 94.92 -24.021393 15.023727 -2.2126567 1 1197 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 94.92 -24.581703 15.981533 -1.6558192 1 1198 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 94.14 -23.526068 14.552879 -4.6314125 1 1199 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 92.58 -23.66211 15.963476 -5.0989227 1 1200 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 92.58 -25.12935 16.29661 -5.000223 1 1201 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 93.36 -22.966572 14.426327 -1.733269 1 1202 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 92.97 -22.226604 15.010783 -0.60914177 1 1203 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 92.58 -21.591938 16.31697 -1.0840058 1 1204 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 91.02 -21.359999 16.500835 -2.293651 1 1205 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 91.41 -21.14209 14.038294 -0.14367464 1 1206 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 88.67 -21.692284 12.793067 0.5268142 1 1207 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 88.67 -21.24868 12.669967 1.9622456 1 1208 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 85.94 -21.673582 13.504642 2.7816043 1 1209 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 85.55 -20.46206 11.746616 2.2747278 1 1210 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 92.97 -21.293076 17.240875 -0.19393483 1 1211 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 92.58 -21.459599 17.190086 1.2583948 1 1212 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 93.75 -22.54975 18.106117 1.7587084 1 1213 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 93.36 -23.10033 18.908907 1.0014066 1 1214 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 90.62 -20.0952 17.693329 1.7665772 1 1215 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 88.28 -19.756378 18.771072 0.78172415 1 1216 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 88.67 -20.339836 18.335197 -0.5498023 1 1217 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 96.48 -22.861992 17.95983 3.0309598 1 1218 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 96.88 -23.651402 18.946188 3.7617264 1 1219 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 96.88 -22.808445 19.430843 4.928463 1 1220 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 95.7 -21.915718 18.72387 5.405987 1 1221 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 96.09 -24.985432 18.380886 4.302781 1 1222 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 93.36 -25.916916 17.994228 3.174534 1 1223 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 92.58 -24.728142 17.217947 5.249234 1 1224 +ATOM N N . THR A0 1 160 . 160 THR A0 N 97.27 -23.067352 20.649155 5.3591557 1 1225 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 97.27 -22.418793 21.174015 6.550822 1 1226 +ATOM C C . THR A0 1 160 . 160 THR A0 C 97.27 -23.497921 21.483473 7.581 1 1227 +ATOM O O . THR A0 1 160 . 160 THR A0 O 96.88 -24.59946 21.923885 7.2267284 1 1228 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 96.09 -21.605934 22.44774 6.2576213 1 1229 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 91.41 -22.4607 23.449848 5.7045736 1 1230 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 89.45 -20.4763 22.145767 5.289599 1 1231 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 98.05 -23.191704 21.219292 8.839011 1 1232 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 98.05 -24.12941 21.471584 9.922926 1 1233 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 98.05 -23.42995 22.27693 11.012536 1 1234 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 97.66 -22.337582 21.921093 11.45144 1 1235 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 98.05 -24.680777 20.160604 10.526384 1 1236 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 96.09 -25.707157 20.470135 11.610276 1 1237 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 95.31 -25.292473 19.283508 9.445453 1 1238 +ATOM N N . SER A0 1 162 . 162 SER A0 N 98.44 -24.068895 23.349934 11.417566 1 1239 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 98.05 -23.612066 24.120304 12.566026 1 1240 +ATOM C C . SER A0 1 162 . 162 SER A0 C 98.05 -24.77103 24.265285 13.533947 1 1241 +ATOM O O . SER A0 1 162 . 162 SER A0 O 98.05 -25.922525 23.977734 13.187796 1 1242 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 97.66 -23.077787 25.497255 12.147867 1 1243 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 96.09 -24.114544 26.29128 11.5947075 1 1244 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 98.44 -24.471127 24.703102 14.735362 1 1245 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 98.05 -25.49931 24.89882 15.741371 1 1246 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 98.05 -25.477043 26.342854 16.23439 1 1247 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 97.66 -24.42081 26.88137 16.567574 1 1248 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 98.44 -25.315062 23.91172 16.899483 1 1249 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 98.05 -25.741632 22.528727 16.542065 1 1250 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 97.66 -24.977674 21.552916 15.974986 1 1251 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 98.05 -27.05021 21.97417 16.694118 1 1252 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 97.66 -25.731174 20.424236 15.76733 1 1253 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 98.05 -26.996912 20.65366 16.201563 1 1254 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 97.66 -28.264229 22.461231 17.20441 1 1255 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 98.05 -28.11318 19.819195 16.203514 1 1256 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 97.66 -29.36847 21.630512 17.208273 1 1257 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 98.05 -29.290524 20.324547 16.71281 1 1258 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 98.05 -26.66475 26.933159 16.26134 1 1259 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 97.66 -26.82698 28.32201 16.682493 1 1260 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 97.66 -25.842587 29.23565 15.950924 1 1261 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 96.88 -25.161434 30.069798 16.548225 1 1262 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 97.66 -26.674408 28.450485 18.19703 1 1263 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 97.66 -27.80402 27.781963 18.9458 1 1264 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 94.92 -28.783127 27.337742 18.343304 1 1265 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 94.53 -27.686878 27.681423 20.263174 1 1266 +ATOM N N . SER A0 1 165 . 165 SER A0 N 97.66 -25.780487 29.025917 14.604069 1 1267 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 97.27 -24.932617 29.827406 13.721202 1 1268 +ATOM C C . SER A0 1 165 . 165 SER A0 C 97.66 -23.47231 29.816124 14.154036 1 1269 +ATOM O O . SER A0 1 165 . 165 SER A0 O 96.88 -22.755217 30.798666 13.977474 1 1270 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 96.88 -25.45443 31.266365 13.634496 1 1271 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 93.36 -26.794365 31.29435 13.150095 1 1272 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 97.27 -23.036171 28.681686 14.703709 1 1273 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 97.27 -21.652807 28.51942 15.093204 1 1274 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 97.66 -21.352432 28.863266 16.531923 1 1275 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 96.88 -20.227322 28.653011 16.983452 1 1276 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 97.27 -22.326174 29.36044 17.246212 1 1277 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 97.27 -22.115015 29.737236 18.639515 1 1278 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 97.27 -22.021343 28.52206 19.55521 1 1279 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 96.48 -21.463318 28.613638 20.649864 1 1280 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 97.27 -23.22528 30.667622 19.109179 1 1281 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 97.66 -22.588345 27.402107 19.117298 1 1282 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 97.66 -22.56397 26.178627 19.912617 1 1283 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 97.66 -21.694935 25.14176 19.216413 1 1284 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 97.27 -22.034103 24.668299 18.12648 1 1285 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 96.88 -23.98664 25.638163 20.104317 1 1286 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 96.48 -24.130917 24.329975 20.874973 1 1287 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 94.14 -25.603119 23.941788 20.97842 1 1288 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 94.14 -23.49026 24.412573 22.248558 1 1289 +ATOM N N . THR A0 1 169 . 169 THR A0 N 96.88 -20.563656 24.815796 19.81626 1 1290 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 96.48 -19.646137 23.840101 19.246422 1 1291 +ATOM C C . THR A0 1 169 . 169 THR A0 C 96.09 -19.294617 22.73962 20.240614 1 1292 +ATOM O O . THR A0 1 169 . 169 THR A0 O 95.7 -19.013353 21.61333 19.826332 1 1293 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 96.09 -18.350243 24.509644 18.761223 1 1294 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 92.58 -17.73056 25.198185 19.848667 1 1295 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 91.02 -18.643166 25.502659 17.631695 1 1296 +ATOM N N . SER A0 1 170 . 170 SER A0 N 95.7 -19.30819 23.047504 21.504654 1 1297 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 95.7 -18.949007 22.074749 22.525974 1 1298 +ATOM C C . SER A0 1 170 . 170 SER A0 C 96.09 -20.005123 20.97484 22.615917 1 1299 +ATOM O O . SER A0 1 170 . 170 SER A0 O 96.09 -21.20185 21.257738 22.67545 1 1300 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 94.14 -18.796555 22.764618 23.880053 1 1301 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 85.55 -18.438423 21.835447 24.88718 1 1302 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 96.09 -19.559649 19.728043 22.597496 1 1303 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 96.48 -20.45222 18.596235 22.711975 1 1304 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 96.88 -21.14246 18.20587 21.422026 1 1305 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 96.48 -22.008863 17.333988 21.437397 1 1306 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 97.27 -20.772581 18.83469 20.310665 1 1307 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 97.66 -21.394848 18.545307 19.0217 1 1308 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 97.66 -20.714275 17.355549 18.35009 1 1309 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 97.27 -19.48242 17.264904 18.324211 1 1310 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 98.05 -21.343548 19.773478 18.087402 1 1311 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 96.48 -21.84013 19.40485 16.692205 1 1312 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 96.09 -22.1722 20.914715 18.667675 1 1313 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 98.05 -21.515251 16.450764 17.81102 1 1314 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 98.05 -21.018211 15.35524 16.987034 1 1315 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 98.05 -21.829216 15.314423 15.7026005 1 1316 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 98.05 -23.030434 15.0245 15.738074 1 1317 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 97.66 -21.137451 14.00399 17.711666 1 1318 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 96.88 -20.241533 13.856945 18.891771 1 1319 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 89.06 -18.867008 13.971646 18.803001 1 1320 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 88.28 -20.517008 13.595747 20.184593 1 1321 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 90.23 -18.34872 13.793227 19.996443 1 1322 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 91.8 -19.32341 13.564413 20.857737 1 1323 +ATOM N N . THR A0 1 174 . 174 THR A0 N 97.66 -21.187908 15.60664 14.591684 1 1324 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 97.66 -21.82931 15.470396 13.284676 1 1325 +ATOM C C . THR A0 1 174 . 174 THR A0 C 97.66 -21.25277 14.221163 12.630397 1 1326 +ATOM O O . THR A0 1 174 . 174 THR A0 O 97.27 -20.057861 14.15599 12.341468 1 1327 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 98.05 -21.597881 16.715786 12.415884 1 1328 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 96.48 -22.198627 17.85515 13.053282 1 1329 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 96.88 -22.224506 16.531906 11.03833 1 1330 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 97.66 -22.097107 13.233156 12.425957 1 1331 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 97.66 -21.647041 11.922382 11.975531 1 1332 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 97.66 -21.394503 11.886103 10.470211 1 1333 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 97.27 -22.012054 12.6366005 9.70831 1 1334 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 98.05 -22.678652 10.8556595 12.344614 1 1335 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 98.44 -22.778133 10.615538 13.818785 1 1336 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 97.66 -23.655647 11.354795 14.602266 1 1337 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 97.27 -21.978336 9.661206 14.424276 1 1338 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 97.66 -23.727135 11.151001 15.970951 1 1339 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 97.66 -22.044762 9.447981 15.793434 1 1340 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 98.05 -22.923992 10.194804 16.566765 1 1341 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 95.7 -20.460615 11.006641 10.042616 1 1342 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 95.7 -20.26207 10.808792 8.605294 1 1343 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 96.48 -21.55748 10.344253 7.9484344 1 1344 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 96.48 -22.335127 9.600067 8.553399 1 1345 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 94.92 -19.185345 9.72616 8.544473 1 1346 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 92.97 -18.467733 9.8289 9.860048 1 1347 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 94.92 -19.528284 10.216062 10.843222 1 1348 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 95.7 -21.78227 10.803191 6.736198 1 1349 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 95.7 -22.99383 10.435652 6.0161967 1 1350 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 95.31 -22.999126 8.950754 5.6811495 1 1351 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 94.53 -21.95203 8.330366 5.5163126 1 1352 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 95.7 -23.130657 11.264925 4.7430687 1 1353 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 96.48 -24.186897 8.396822 5.5814695 1 1354 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 96.48 -24.382875 7.0105085 5.1709023 1 1355 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 96.48 -25.169003 7.0060377 3.8630292 1 1356 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 96.09 -26.140339 7.74918 3.7197962 1 1357 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 95.7 -25.138247 6.2088137 6.2529116 1 1358 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 93.36 -24.263447 6.0515018 7.4944496 1 1359 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 92.97 -25.543203 4.839044 5.7176604 1 1360 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 94.92 -24.716589 6.1904826 2.9055097 1 1361 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 94.14 -25.43664 6.057213 1.6382848 1 1362 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 94.53 -26.555584 5.0337124 1.8148389 1 1363 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 93.75 -26.292206 3.8581195 2.086916 1 1364 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 93.36 -24.487846 5.62332 0.51683784 1 1365 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 91.02 -25.11274 5.483664 -0.8701508 1 1366 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 88.67 -24.089714 4.9378777 -1.8586746 1 1367 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 88.67 -25.656664 6.8324413 -1.3479811 1 1368 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 96.09 -27.777893 5.4732304 1.6507022 1 1369 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 96.09 -28.939072 4.6094227 1.8230345 1 1370 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 95.31 -29.204784 3.8207164 0.54340196 1 1371 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 94.14 -28.675472 4.1295633 -0.5281277 1 1372 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 96.09 -30.165997 5.4427576 2.1949892 1 1373 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 95.7 -29.984518 6.2626505 3.4519658 1 1374 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 96.09 -31.080406 7.2871733 3.6470332 1 1375 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 91.41 -31.96339 7.1053276 4.4828157 1 1376 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 90.62 -31.039322 8.35635 2.8651114 1 1377 +ATOM N N . SER A0 1 181 . 181 SER A0 N 94.53 -30.023094 2.7646253 0.66233206 1 1378 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 93.75 -30.341854 1.925076 -0.4883883 1 1379 +ATOM C C . SER A0 1 181 . 181 SER A0 C 94.14 -31.041847 2.709722 -1.5906732 1 1380 +ATOM O O . SER A0 1 181 . 181 SER A0 O 92.58 -31.027004 2.2903917 -2.752604 1 1381 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 91.8 -31.213177 0.7408972 -0.04996334 1 1382 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 87.11 -32.420708 1.1900716 0.5173679 1 1383 +ATOM N N . SER A0 1 182 . 182 SER A0 N 94.92 -31.63385 3.8338962 -1.2361245 1 1384 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 94.53 -32.291245 4.6988497 -2.2047532 1 1385 +ATOM C C . SER A0 1 182 . 182 SER A0 C 94.53 -31.302805 5.449485 -3.0868714 1 1386 +ATOM O O . SER A0 1 182 . 182 SER A0 O 93.36 -31.692219 6.0096116 -4.1191196 1 1387 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 94.14 -33.18419 5.710104 -1.4831958 1 1388 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 93.36 -32.404613 6.560482 -0.6636654 1 1389 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 94.53 -30.033813 5.451314 -2.6968243 1 1390 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 94.53 -29.023815 6.212021 -3.4096937 1 1391 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 95.31 -28.833801 7.607312 -2.8666973 1 1392 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 94.92 -27.999989 8.365173 -3.3795211 1 1393 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 96.48 -29.598042 7.9443574 -1.8365748 1 1394 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 96.48 -29.492722 9.245631 -1.1954286 1 1395 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 96.88 -28.733118 9.115543 0.12108025 1 1396 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 96.48 -28.706236 8.049593 0.7347884 1 1397 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 96.48 -30.88301 9.8321295 -0.9441645 1 1398 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 96.48 -31.790321 9.986029 -2.1711626 1 1399 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 94.92 -33.196163 10.389537 -1.7519352 1 1400 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 94.92 -31.197245 11.003607 -3.1400154 1 1401 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 97.27 -28.121037 10.2119 0.5485333 1 1402 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 97.27 -27.349966 10.214703 1.7790349 1 1403 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 97.66 -28.182945 10.673578 2.9649987 1 1404 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 97.27 -29.189516 11.365473 2.807039 1 1405 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 96.48 -26.122719 11.126781 1.6436338 1 1406 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 95.7 -25.088219 10.622427 0.67298734 1 1407 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 94.53 -25.064434 11.068983 -0.6416837 1 1408 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 94.53 -24.122156 9.717398 1.0766541 1 1409 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 93.36 -24.111778 10.616551 -1.53445 1 1410 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 93.36 -23.161758 9.256806 0.19047718 1 1411 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 93.36 -23.162237 9.71135 -1.1101198 1 1412 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 91.8 -22.216259 9.264176 -1.9900885 1 1413 +ATOM N N . SER A0 1 186 . 186 SER A0 N 98.05 -27.739437 10.288478 4.133666 1 1414 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 97.66 -28.376453 10.695862 5.3794703 1 1415 +ATOM C C . SER A0 1 186 . 186 SER A0 C 98.05 -27.307886 10.811338 6.4577074 1 1416 +ATOM O O . SER A0 1 186 . 186 SER A0 O 97.66 -26.385372 10.00252 6.511632 1 1417 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 98.05 -29.449738 9.690552 5.797633 1 1418 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 95.7 -30.073612 10.067193 7.021759 1 1419 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 98.44 -27.445724 11.801603 7.315343 1 1420 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 98.44 -26.557121 11.921956 8.462467 1 1421 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 98.44 -27.299885 12.561213 9.62203 1 1422 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 98.44 -28.371683 13.139685 9.4429 1 1423 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 97.66 -25.287582 12.708834 8.129005 1 1424 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 96.88 -25.332033 14.209744 7.850031 1 1425 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 96.09 -24.032825 14.646671 7.1693335 1 1426 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 95.7 -25.546926 15.053761 9.11743 1 1427 +ATOM N N . SER A0 1 188 . 188 SER A0 N 98.44 -26.713078 12.437414 10.806159 1 1428 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 98.44 -27.277134 13.079266 11.980905 1 1429 +ATOM C C . SER A0 1 188 . 188 SER A0 C 98.44 -26.219505 13.945037 12.640959 1 1430 +ATOM O O . SER A0 1 188 . 188 SER A0 O 98.44 -25.02027 13.673028 12.535863 1 1431 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 98.05 -27.809746 12.045119 12.983549 1 1432 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 87.11 -26.766716 11.181386 13.4080305 1 1433 +ATOM N N . SER A0 1 189 . 189 SER A0 N 98.44 -26.675789 15.005668 13.268057 1 1434 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 98.44 -25.807045 15.870624 14.064177 1 1435 +ATOM C C . SER A0 1 189 . 189 SER A0 C 98.44 -26.449787 15.996756 15.436432 1 1436 +ATOM O O . SER A0 1 189 . 189 SER A0 O 98.05 -27.634699 16.34134 15.536819 1 1437 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 98.44 -25.646202 17.245434 13.416988 1 1438 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 97.27 -24.803963 18.09025 14.201916 1 1439 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 98.05 -25.673893 15.68745 16.461632 1 1440 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 98.05 -26.211903 15.738713 17.822277 1 1441 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 98.05 -25.358494 16.643675 18.694489 1 1442 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 97.66 -24.210657 16.94982 18.36728 1 1443 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 97.27 -26.299305 14.336985 18.466593 1 1444 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 94.53 -27.211533 13.429569 17.651312 1 1445 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 93.36 -24.911737 13.730852 18.60566 1 1446 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 97.27 -25.955547 17.07842 19.804123 1 1447 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 97.27 -25.225542 17.902046 20.766058 1 1448 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 97.27 -25.797867 17.630785 22.149187 1 1449 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 96.48 -27.00563 17.398075 22.295956 1 1450 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 97.27 -25.316307 19.413145 20.416018 1 1451 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 94.92 -24.482044 20.241512 21.38839 1 1452 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 93.75 -26.758959 19.885159 20.392447 1 1453 +ATOM N N . THR A0 1 192 . 192 THR A0 N 96.09 -24.92519 17.615322 23.15556 1 1454 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 96.09 -25.37695 17.473034 24.535202 1 1455 +ATOM C C . THR A0 1 192 . 192 THR A0 C 96.09 -25.361551 18.848831 25.193775 1 1456 +ATOM O O . THR A0 1 192 . 192 THR A0 O 95.7 -24.409687 19.627153 25.027298 1 1457 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 95.31 -24.496405 16.490875 25.33265 1 1458 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 91.02 -23.126392 16.849726 25.177887 1 1459 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 90.23 -24.707817 15.064272 24.843231 1 1460 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 95.31 -26.425003 19.148563 25.946468 1 1461 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 94.92 -26.601074 20.444433 26.592525 1 1462 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 94.53 -27.140461 20.233128 28.003098 1 1463 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 93.75 -27.613338 19.146822 28.340618 1 1464 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 94.92 -27.572914 21.354294 25.79842 1 1465 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 93.75 -27.051992 21.594133 24.38126 1 1466 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 92.97 -28.956657 20.722307 25.762274 1 1467 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 94.14 -27.057316 21.261986 28.854542 1 1468 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 93.75 -27.644356 21.132338 30.187168 1 1469 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 93.75 -29.158562 20.946259 30.097595 1 1470 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 93.36 -29.831139 21.649952 29.343983 1 1471 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 93.36 -27.279572 22.459396 30.872656 1 1472 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 91.8 -26.098125 22.971853 30.120258 1 1473 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 92.58 -26.3236 22.53429 28.703972 1 1474 +ATOM N N . SER A0 1 195 . 195 SER A0 N 91.8 -29.676262 19.981733 30.862968 1 1475 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 91.41 -31.119646 19.74574 30.859474 1 1476 +ATOM C C . SER A0 1 195 . 195 SER A0 C 91.8 -31.88383 20.979973 31.32129 1 1477 +ATOM O O . SER A0 1 195 . 195 SER A0 O 90.62 -33.015774 21.216957 30.885012 1 1478 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 90.23 -31.464594 18.5629 31.763739 1 1479 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 84.38 -30.88302 17.370575 31.288078 1 1480 +ATOM N N . SER A0 1 196 . 196 SER A0 N 91.41 -31.277094 21.776148 32.183838 1 1481 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 91.02 -31.92353 22.97491 32.706795 1 1482 +ATOM C C . SER A0 1 196 . 196 SER A0 C 91.02 -32.138763 24.039742 31.641495 1 1483 +ATOM O O . SER A0 1 196 . 196 SER A0 O 89.06 -32.938225 24.958317 31.835873 1 1484 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 90.23 -31.098988 23.554455 33.85993 1 1485 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 86.72 -29.803116 23.923466 33.421932 1 1486 +ATOM N N . SER A0 1 197 . 197 SER A0 N 92.58 -31.42655 23.91901 30.516624 1 1487 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 92.97 -31.554394 24.909271 29.448923 1 1488 +ATOM C C . SER A0 1 197 . 197 SER A0 C 92.97 -32.728184 24.620724 28.527027 1 1489 +ATOM O O . SER A0 1 197 . 197 SER A0 O 91.8 -33.1194 25.49266 27.74437 1 1490 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 91.8 -30.264816 24.980621 28.640118 1 1491 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 89.06 -30.091541 23.806667 27.86447 1 1492 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 91.41 -33.28923 23.408852 28.611233 1 1493 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 91.02 -34.40337 23.05175 27.746422 1 1494 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 90.62 -35.622337 23.926239 28.065552 1 1495 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 89.06 -36.02546 24.053545 29.219532 1 1496 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 90.62 -34.766113 21.572136 27.91383 1 1497 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 90.23 -33.674404 20.565979 27.538696 1 1498 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 88.28 -34.16204 19.152199 27.785034 1 1499 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 87.5 -33.21731 20.752014 26.110062 1 1500 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 91.02 -36.20343 24.516644 27.063452 1 1501 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 89.84 -37.356544 25.385965 27.223652 1 1502 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 90.23 -37.008446 26.848377 27.360971 1 1503 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 87.89 -37.863564 27.711727 27.101723 1 1504 +ATOM N N . THR A0 1 200 . 200 THR A0 N 92.19 -35.770462 27.148561 27.75282 1 1505 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 92.58 -35.346603 28.534637 27.891975 1 1506 +ATOM C C . THR A0 1 200 . 200 THR A0 C 93.36 -34.318367 28.929943 26.841797 1 1507 +ATOM O O . THR A0 1 200 . 200 THR A0 O 92.19 -34.311394 30.075283 26.387358 1 1508 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 90.62 -34.769684 28.801868 29.293274 1 1509 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 86.72 -33.684875 27.913961 29.536125 1 1510 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 83.98 -35.8396 28.585379 30.36365 1 1511 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 94.53 -33.46855 28.002142 26.4719 1 1512 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 94.92 -32.456787 28.256966 25.44532 1 1513 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 95.31 -32.932068 27.713379 24.106543 1 1514 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 94.14 -33.456 26.598797 24.038548 1 1515 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 93.75 -31.123772 27.61046 25.833628 1 1516 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 90.62 -30.021238 27.754494 24.780447 1 1517 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 89.45 -29.605576 29.187393 24.567345 1 1518 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 83.98 -29.93404 29.806694 23.568813 1 1519 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 82.81 -28.893305 29.735355 25.559345 1 1520 +ATOM N N . THR A0 1 202 . 202 THR A0 N 96.09 -32.738983 28.48391 23.055458 1 1521 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 96.09 -33.13125 28.058365 21.715958 1 1522 +ATOM C C . THR A0 1 202 . 202 THR A0 C 96.88 -31.987038 27.313175 21.048767 1 1523 +ATOM O O . THR A0 1 202 . 202 THR A0 O 96.09 -30.847767 27.78521 21.042952 1 1524 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 94.92 -33.53074 29.26982 20.858952 1 1525 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 89.45 -34.651985 29.924728 21.456516 1 1526 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 87.5 -33.893066 28.83966 19.445581 1 1527 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 97.66 -32.28094 26.14114 20.482883 1 1528 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 97.27 -31.296177 25.346392 19.771152 1 1529 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 97.66 -31.723242 25.186893 18.320045 1 1530 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 97.27 -32.78772 24.640814 18.037354 1 1531 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 97.27 -31.100239 23.984032 20.44241 1 1532 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 96.88 -30.515553 24.102997 21.831612 1 1533 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 94.92 -31.293728 23.889587 22.962212 1 1534 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 94.92 -29.178772 24.442581 22.001705 1 1535 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 94.53 -30.75433 24.016659 24.229013 1 1536 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 94.92 -28.63657 24.572977 23.270638 1 1537 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 95.7 -29.425121 24.351604 24.38274 1 1538 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 94.92 -28.894428 24.482578 25.630003 1 1539 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 98.05 -30.88337 25.672102 17.4049 1 1540 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 98.05 -31.167587 25.633509 15.97702 1 1541 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 98.44 -29.995247 25.002945 15.233547 1 1542 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 98.05 -28.849997 25.428228 15.409386 1 1543 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 97.66 -31.42884 27.051193 15.423165 1 1544 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 93.36 -32.631027 27.697498 16.117043 1 1545 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 92.97 -31.650312 26.99966 13.907454 1 1546 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 89.45 -32.841568 29.165546 15.761173 1 1547 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 98.44 -30.292698 23.953339 14.422454 1 1548 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 98.05 -29.245647 23.397892 13.570853 1 1549 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 98.05 -29.323406 24.096724 12.2235365 1 1550 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 98.05 -30.405312 24.27172 11.6538925 1 1551 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 97.66 -29.3704 21.887238 13.426895 1 1552 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 96.48 -30.798744 21.308077 12.526633 1 1553 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 98.05 -28.156311 24.532257 11.728207 1 1554 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 98.05 -28.05996 25.23279 10.455057 1 1555 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 98.44 -27.457344 24.276873 9.428018 1 1556 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 98.05 -26.272697 23.925392 9.520361 1 1557 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 98.05 -27.18768 26.492981 10.588708 1 1558 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 97.66 -27.43095 27.22478 11.886015 1 1559 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 93.36 -26.580017 27.181461 12.7943535 1 1560 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 93.36 -28.564056 27.88161 12.011215 1 1561 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 98.44 -28.28349 23.858528 8.482315 1 1562 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 98.05 -27.87219 22.871714 7.4913454 1 1563 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 98.05 -27.689379 23.555464 6.1385283 1 1564 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 97.66 -28.579937 24.2767 5.67428 1 1565 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 98.05 -28.906288 21.732262 7.3793325 1 1566 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 96.09 -28.476767 20.728565 6.3170485 1 1567 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 95.7 -29.081665 21.046803 8.729187 1 1568 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 97.66 -26.541126 23.297718 5.507519 1 1569 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 97.27 -26.239132 23.88369 4.2068906 1 1570 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 97.66 -25.839195 22.776733 3.233019 1 1571 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 97.27 -24.903893 22.019423 3.498579 1 1572 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 96.88 -25.114183 24.918148 4.3331213 1 1573 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 92.97 -24.958405 25.759598 3.0842786 1 1574 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 87.5 -25.745075 25.658722 2.143679 1 1575 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 85.94 -23.950785 26.612608 3.0693133 1 1576 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 96.88 -26.5553 22.696245 2.1274693 1 1577 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 96.88 -26.252794 21.740171 1.0573851 1 1578 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 96.48 -26.008635 22.541039 -0.22093919 1 1579 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 95.7 -26.9574 22.90207 -0.93678534 1 1580 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 96.88 -27.39775 20.745607 0.86440974 1 1581 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 97.27 -27.104305 19.68566 -0.14906085 1 1582 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 93.75 -27.908726 19.464586 -1.2476412 1 1583 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 94.14 -26.110668 18.77642 -0.22546515 1 1584 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 94.14 -27.405857 18.464302 -1.9518245 1 1585 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 94.92 -26.312511 18.026802 -1.3568246 1 1586 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 94.53 -24.755589 22.84121 -0.46026355 1 1587 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 93.36 -24.359787 23.69457 -1.5748855 1 1588 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 93.75 -24.808464 23.157188 -2.9336457 1 1589 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 92.97 -25.263094 23.946804 -3.7747896 1 1590 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 92.19 -22.84132 23.906746 -1.5746552 1 1591 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 86.72 -22.3268 24.714554 -0.3954624 1 1592 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 82.42 -22.713509 26.187141 -0.51398265 1 1593 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 76.56 -22.066475 26.999058 0.5987138 1 1594 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 69.92 -22.450499 28.422089 0.52369446 1 1595 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 93.75 -24.673553 21.824621 -3.2143347 1 1596 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 92.97 -25.051163 21.331625 -4.54377 1 1597 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 93.36 -26.492987 21.640146 -4.9375124 1 1598 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 92.58 -26.779331 21.776695 -6.132631 1 1599 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 92.19 -24.81625 19.82519 -4.432905 1 1600 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 91.02 -23.732132 19.69933 -3.4130785 1 1601 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 92.19 -24.039722 20.775265 -2.401847 1 1602 +ATOM N N . SER A0 1 212 . 212 SER A0 N 96.09 -27.405802 21.746695 -3.9774754 1 1603 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 95.7 -28.7953 22.057148 -4.2703695 1 1604 +ATOM C C . SER A0 1 212 . 212 SER A0 C 95.31 -29.185686 23.46593 -3.8452334 1 1605 +ATOM O O . SER A0 1 212 . 212 SER A0 O 94.92 -30.356993 23.838003 -3.9434648 1 1606 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 95.31 -29.729946 21.047415 -3.5823884 1 1607 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 94.53 -29.675587 21.180592 -2.1736548 1 1608 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 96.48 -28.210438 24.230795 -3.397564 1 1609 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 96.09 -28.45293 25.580624 -2.896595 1 1610 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 96.48 -29.541445 25.591976 -1.8305587 1 1611 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 95.7 -30.42533 26.457445 -1.8251864 1 1612 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 95.31 -28.82638 26.526098 -4.0469246 1 1613 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 91.02 -27.704786 26.699371 -5.035789 1 1614 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 85.55 -26.558065 26.926872 -4.647006 1 1615 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 84.38 -28.025879 26.589207 -6.3214493 1 1616 +ATOM N N . THR A0 1 214 . 214 THR A0 N 96.88 -29.475384 24.608595 -0.93208545 1 1617 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 96.88 -30.464386 24.468773 0.13047482 1 1618 +ATOM C C . THR A0 1 214 . 214 THR A0 C 97.27 -29.866383 24.865547 1.473201 1 1619 +ATOM O O . THR A0 1 214 . 214 THR A0 O 96.48 -28.821507 24.350712 1.8689439 1 1620 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 96.09 -30.989464 23.02566 0.21701512 1 1621 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 93.75 -31.562908 22.647343 -1.0317947 1 1622 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 92.97 -32.02343 22.88384 1.3194497 1 1623 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 97.66 -30.543411 25.776714 2.130936 1 1624 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 97.27 -30.192627 26.165194 3.489965 1 1625 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 97.66 -31.417677 25.987123 4.367553 1 1626 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 96.48 -32.49958 26.47593 4.027401 1 1627 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 96.48 -29.708727 27.615448 3.5601962 1 1628 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 89.84 -28.306303 27.828205 3.0329223 1 1629 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 85.94 -27.829649 29.248495 3.3454664 1 1630 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 78.52 -26.396008 29.454746 2.8887017 1 1631 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 72.27 -25.910133 30.810377 3.2511506 1 1632 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 97.66 -31.242226 25.282467 5.471978 1 1633 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 97.66 -32.348137 25.033634 6.391261 1 1634 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 98.05 -31.902647 25.34135 7.8113933 1 1635 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 97.66 -30.838701 24.887928 8.2451935 1 1636 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 97.27 -32.84365 23.572393 6.3122826 1 1637 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 95.31 -33.944305 23.320084 7.3460264 1 1638 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 94.92 -33.32549 23.239944 4.9124546 1 1639 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 98.05 -32.689568 26.114716 8.502341 1 1640 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 97.66 -32.49576 26.357721 9.921921 1 1641 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 97.66 -33.643867 25.68534 10.655958 1 1642 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 97.27 -34.80234 26.062044 10.468574 1 1643 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 97.66 -32.47071 27.865217 10.239222 1 1644 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 96.88 -31.28212 28.562626 9.609785 1 1645 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 94.14 -31.446493 29.7156 9.143229 1 1646 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 94.14 -30.185314 27.969316 9.583024 1 1647 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 97.66 -33.319057 24.685701 11.444929 1 1648 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 98.05 -34.341164 23.90794 12.127176 1 1649 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 98.05 -34.233746 24.051228 13.6257 1 1650 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 97.66 -33.220695 23.703587 14.2250595 1 1651 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 97.27 -34.231052 22.433271 11.750811 1 1652 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 94.53 -35.441242 21.60397 12.195717 1 1653 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 92.19 -36.65348 21.951958 11.35183 1 1654 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 88.67 -37.859386 21.090614 11.6978035 1 1655 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 85.16 -38.974403 21.381428 10.769604 1 1656 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 97.66 -35.307396 24.57191 14.21648 1 1657 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 97.27 -35.339203 24.70308 15.665198 1 1658 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 97.66 -35.697716 23.359673 16.280209 1 1659 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 96.48 -36.636307 22.698708 15.831242 1 1660 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 96.88 -36.359753 25.764256 16.10328 1 1661 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 89.06 -36.400642 25.968266 17.614788 1 1662 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 84.77 -37.30006 27.135832 17.984562 1 1663 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 78.12 -37.337265 27.325943 19.437777 1 1664 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 72.66 -37.9597 28.315157 20.038914 1 1665 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 67.58 -38.622917 29.210072 19.328224 1 1666 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 67.97 -37.93885 28.42214 21.357548 1 1667 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 96.48 -34.928963 22.953602 17.28358 1 1668 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 96.48 -35.17766 21.687576 17.957047 1 1669 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 95.7 -35.761078 21.969324 19.333757 1 1670 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 94.53 -35.086708 22.536993 20.191483 1 1671 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 96.48 -33.871124 20.868872 18.072021 1 1672 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 95.7 -33.213898 20.669758 16.686642 1 1673 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 95.31 -34.169212 19.475763 18.616486 1 1674 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 93.75 -37.016575 21.558903 19.51739 1 1675 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 92.97 -37.73504 21.829948 20.749739 1 1676 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 92.97 -38.021683 20.535603 21.503796 1 1677 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 90.62 -38.16668 19.470312 20.897049 1 1678 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 91.02 -39.05366 22.552074 20.45542 1 1679 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 84.38 -38.87555 23.90106 19.782913 1 1680 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 82.81 -40.182335 24.578064 19.45491 1 1681 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 77.73 -40.47934 25.630375 20.048803 1 1682 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 76.95 -40.920418 24.049393 18.602844 1 1683 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 89.84 -38.112007 20.61954 22.850082 1 1684 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 88.28 -38.383965 19.420261 23.649216 1 1685 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 87.5 -39.776283 18.853119 23.37917 1 1686 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 83.59 -40.692093 19.580858 22.981476 1 1687 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 86.33 -38.261223 19.923405 25.100145 1 1688 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 83.98 -37.508102 21.20764 25.009289 1 1689 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 85.94 -37.883835 21.797657 23.68442 1 1690 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 80.47 -39.928566 17.578506 23.599447 1 1691 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 78.52 -41.222263 16.94074 23.484062 1 1692 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 76.95 -41.52905 16.178772 24.766037 1 1693 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 71.09 -40.626213 15.91824 25.554298 1 1694 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 73.44 -41.27375 15.975705 22.29086 1 1695 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 67.97 -40.319798 14.79257 22.408123 1 1696 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 63.28 -40.64695 13.68331 21.396826 1 1697 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 59.77 -40.554413 14.252388 19.982021 1 1698 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 56.64 -40.810387 13.211368 18.976114 1 1699 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 57.81 -42.643143 15.7461605 25.000301 1 1700 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 84.38 1.0271671 -10.98304 -3.062263 1 1701 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 91.8 0.046505738 -10.369457 -2.1710467 1 1702 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 94.92 0.68782926 -10.039773 -0.834136 1 1703 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 93.75 1.5962905 -10.745873 -0.37590063 1 1704 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 84.77 -1.1536018 -11.297035 -1.9941096 1 1705 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 76.17 -2.3086758 -10.667971 -1.2654896 1 1706 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 71.88 -3.6246152 -11.342777 -1.6105993 1 1707 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 65.23 -3.657667 -12.512484 -1.9674292 1 1708 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 62.5 -4.725088 -10.597116 -1.4912056 1 1709 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 96.48 0.2231297 -8.969299 -0.19583753 1 1710 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 96.88 0.760504 -8.530647 1.0803537 1 1711 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 96.88 -0.28486788 -8.660934 2.1787305 1 1712 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 96.09 -1.4277233 -8.253622 2.000342 1 1713 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 96.48 1.228338 -7.0753407 1.0033228 1 1714 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 95.31 2.389086 -6.747071 0.07763609 1 1715 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 94.14 2.6541967 -5.2459116 0.09009902 1 1716 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 93.75 3.636301 -7.510359 0.46288395 1 1717 +ATOM N N . THR B0 2 3 . 3 THR B0 N 97.66 0.13128382 -9.206426 3.311138 1 1718 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 97.27 -0.7296599 -9.319156 4.481024 1 1719 +ATOM C C . THR B0 2 3 . 3 THR B0 C 98.05 -0.14948446 -8.432348 5.575591 1 1720 +ATOM O O . THR B0 2 3 . 3 THR B0 O 97.66 0.9528934 -8.685616 6.0685863 1 1721 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 96.88 -0.8322787 -10.767517 4.9730086 1 1722 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 92.19 -1.3626719 -11.59178 3.9279656 1 1723 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 91.8 -1.7201985 -10.864574 6.2012477 1 1724 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 97.66 -0.8818502 -7.394484 5.937879 1 1725 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 97.66 -0.43596023 -6.429206 6.926221 1 1726 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 97.27 -1.1402646 -6.6840334 8.252876 1 1727 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 96.09 -2.3381176 -6.9705215 8.277763 1 1728 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 97.27 -0.72174346 -5.0108266 6.4241858 1 1729 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 96.48 0.008703509 -3.9244204 7.185103 1 1730 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 97.27 -0.10700294 -2.5751793 6.4995394 1 1731 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 94.53 -0.25214982 -2.4984617 5.282958 1 1732 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 94.53 -0.04625845 -1.4991231 7.281349 1 1733 +ATOM N N . SER B0 2 5 . 5 SER B0 N 97.27 -0.38486862 -6.6128664 9.337576 1 1734 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 96.88 -0.97410536 -6.8744698 10.655035 1 1735 +ATOM C C . SER B0 2 5 . 5 SER B0 C 97.27 -0.34425443 -5.9812746 11.710091 1 1736 +ATOM O O . SER B0 2 5 . 5 SER B0 O 96.09 0.8347454 -5.6213837 11.607088 1 1737 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 95.7 -0.7882527 -8.350796 11.028119 1 1738 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 89.84 0.5750392 -8.673881 11.1378975 1 1739 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 95.7 -1.1227951 -5.6140823 12.719196 1 1740 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 95.7 -2.573104 -5.8349595 12.803284 1 1741 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 95.7 -3.3328443 -4.843093 11.943752 1 1742 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 95.31 -2.750987 -3.8833196 11.431695 1 1743 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 94.92 -2.853059 -5.6107316 14.297731 1 1744 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 92.97 -1.8671738 -4.5588665 14.682913 1 1745 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 93.36 -0.6156587 -4.871286 13.898172 1 1746 +ATOM N N . SER B0 2 7 . 7 SER B0 N 94.53 -4.627078 -5.098312 11.759731 1 1747 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 94.14 -5.4441366 -4.1680126 10.990963 1 1748 +ATOM C C . SER B0 2 7 . 7 SER B0 C 94.92 -5.625735 -2.8513536 11.737413 1 1749 +ATOM O O . SER B0 2 7 . 7 SER B0 O 94.14 -5.78168 -1.7943438 11.113158 1 1750 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 92.97 -6.806101 -4.789991 10.675548 1 1751 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 88.67 -7.520046 -5.1001806 11.845903 1 1752 +ATOM N N . SER B0 2 8 . 8 SER B0 N 94.14 -5.5854554 -2.9158998 13.04671 1 1753 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 93.36 -5.653845 -1.7230898 13.880119 1 1754 +ATOM C C . SER B0 2 8 . 8 SER B0 C 94.14 -4.985012 -2.0035717 15.211407 1 1755 +ATOM O O . SER B0 2 8 . 8 SER B0 O 93.36 -4.8799114 -3.151952 15.640598 1 1756 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 91.02 -7.1023154 -1.2689967 14.101118 1 1757 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 86.72 -7.830289 -2.208068 14.862154 1 1758 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 95.7 -4.5190916 -0.95787525 15.8498955 1 1759 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 95.7 -3.9101562 -1.0815475 17.164764 1 1760 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 95.31 -4.078127 0.22678491 17.9128 1 1761 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 94.53 -4.228499 1.2863207 17.316093 1 1762 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 93.75 -2.4278898 -1.4707303 17.059807 1 1763 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 91.02 -1.469268 -0.48427838 16.402952 1 1764 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 87.89 -0.3249945 -1.2264493 15.713133 1 1765 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 87.5 -0.90778226 0.51388353 17.425217 1 1766 +ATOM N N . SER B0 2 10 . 10 SER B0 N 94.92 -4.0659556 0.14534903 19.236652 1 1767 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 95.31 -4.1339297 1.3163683 20.099232 1 1768 +ATOM C C . SER B0 2 10 . 10 SER B0 C 95.31 -2.8198905 1.4507776 20.85137 1 1769 +ATOM O O . SER B0 2 10 . 10 SER B0 O 94.53 -2.2736702 0.46809176 21.346815 1 1770 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 94.14 -5.296426 1.2036409 21.084583 1 1771 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 89.84 -6.5420637 1.1549507 20.415848 1 1772 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 96.09 -2.31491 2.6591754 20.899464 1 1773 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 96.09 -1.0489378 2.9113379 21.576569 1 1774 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 95.31 -1.0614107 4.3053007 22.186407 1 1775 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 94.53 -1.8797014 5.147992 21.828331 1 1776 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 95.31 0.11607315 2.771284 20.604813 1 1777 +ATOM N N . SER B0 2 12 . 12 SER B0 N 94.53 -0.13433155 4.5314465 23.112083 1 1778 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 94.53 -0.0057811216 5.820945 23.773067 1 1779 +ATOM C C . SER B0 2 12 . 12 SER B0 C 94.92 1.2008483 6.572483 23.229305 1 1780 +ATOM O O . SER B0 2 12 . 12 SER B0 O 94.92 2.1368785 5.969445 22.700855 1 1781 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 93.36 0.12857717 5.6390667 25.285576 1 1782 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 89.45 -0.983446 4.9443445 25.835903 1 1783 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 93.36 1.1572399 7.886134 23.375004 1 1784 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 93.75 2.298625 8.705313 22.982895 1 1785 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 94.53 3.523086 8.2337475 23.75559 1 1786 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 94.14 3.4593382 8.010021 24.966152 1 1787 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 92.19 2.0305488 10.201227 23.253273 1 1788 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 90.62 3.298507 11.021858 23.065195 1 1789 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 90.62 0.90515196 10.705471 22.362114 1 1790 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 95.7 4.6361356 8.054079 23.04853 1 1791 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 96.09 5.8582234 7.560524 23.658278 1 1792 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 96.09 6.0658245 6.0695124 23.502958 1 1793 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 95.7 7.173456 5.572383 23.726105 1 1794 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 96.48 5.0115213 5.3311005 23.113165 1 1795 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 96.88 5.1118083 3.8821964 22.931034 1 1796 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 97.27 5.9446487 3.5392394 21.699352 1 1797 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 96.88 6.064228 4.329545 20.757538 1 1798 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 96.48 3.7244678 3.2585945 22.771975 1 1799 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 95.31 2.9740434 3.1056426 24.080425 1 1800 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 93.75 3.5390377 3.4462323 25.13954 1 1801 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 92.58 1.8177545 2.6453483 24.034496 1 1802 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 97.66 6.49656 2.3413062 21.711868 1 1803 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 97.66 7.1643286 1.7792957 20.548857 1 1804 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 97.66 6.1279488 0.9645667 19.790443 1 1805 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 97.27 5.5435224 0.031002868 20.341156 1 1806 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 96.88 8.3362875 0.902908 20.967495 1 1807 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 92.58 9.124258 0.31993163 19.812443 1 1808 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 90.62 10.285286 -0.5292382 20.324493 1 1809 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 86.72 11.174374 -0.9751682 19.25673 1 1810 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 84.77 12.225889 -0.28020185 18.826975 1 1811 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 79.69 12.507761 0.9079604 19.354511 1 1812 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 80.47 12.968506 -0.7586873 17.849995 1 1813 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 97.27 5.9097943 1.3263676 18.527298 1 1814 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 97.66 4.88476 0.6777431 17.71613 1 1815 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 98.05 5.542779 -0.11216684 16.591154 1 1816 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 98.05 6.4383283 0.39250854 15.910898 1 1817 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 96.48 3.9024656 1.7139516 17.134384 1 1818 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 92.97 2.9619498 1.0681888 16.133911 1 1819 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 92.19 3.1178834 2.3773146 18.256325 1 1820 +ATOM N N . THR B0 2 18 . 18 THR B0 N 98.05 5.0852213 -1.3534281 16.39964 1 1821 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 97.66 5.6111164 -2.2185192 15.356092 1 1822 +ATOM C C . THR B0 2 18 . 18 THR B0 C 97.66 4.466502 -2.7103484 14.473341 1 1823 +ATOM O O . THR B0 2 18 . 18 THR B0 O 97.66 3.479325 -3.2481842 14.969296 1 1824 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 97.27 6.3694744 -3.4105492 15.954599 1 1825 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 92.58 7.475418 -2.9381235 16.725262 1 1826 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 91.8 6.880377 -4.336608 14.859642 1 1827 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 98.44 4.615514 -2.5096743 13.160566 1 1828 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 98.05 3.6421318 -2.9635088 12.177153 1 1829 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 98.05 4.33862 -3.9501414 11.248236 1 1830 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 98.05 5.4543457 -3.6936164 10.796062 1 1831 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 98.44 3.0734727 -1.7760026 11.371663 1 1832 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 96.88 2.3642275 -0.79670995 12.306578 1 1833 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 97.27 2.1331959 -2.2689157 10.27507 1 1834 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 93.36 2.0032902 0.52928567 11.652399 1 1835 +ATOM N N . THR B0 2 20 . 20 THR B0 N 98.05 3.6813343 -5.081072 10.984594 1 1836 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 98.05 4.284257 -6.144046 10.184841 1 1837 +ATOM C C . THR B0 2 20 . 20 THR B0 C 98.05 3.611086 -6.254858 8.819157 1 1838 +ATOM O O . THR B0 2 20 . 20 THR B0 O 98.05 2.3974438 -6.0782948 8.694567 1 1839 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 97.66 4.198698 -7.4956694 10.913574 1 1840 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 91.02 4.8798084 -7.402967 12.170725 1 1841 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 89.84 4.81057 -8.619075 10.087898 1 1842 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 98.05 4.410039 -6.5478 7.805934 1 1843 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 98.05 3.9258704 -6.765416 6.4442987 1 1844 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 98.05 4.540008 -8.055514 5.9244795 1 1845 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 97.66 5.765232 -8.186075 5.8776126 1 1846 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 97.66 4.315016 -5.5895376 5.561743 1 1847 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 96.09 3.776028 -5.689257 3.8605819 1 1848 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 97.66 3.7014208 -9.034606 5.5594964 1 1849 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 97.66 4.171543 -10.323566 5.070836 1 1850 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 97.27 3.8258758 -10.479691 3.5962284 1 1851 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 96.88 2.6654403 -10.313098 3.202404 1 1852 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 96.88 3.5514166 -11.467489 5.8782835 1 1853 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 91.02 3.9814963 -11.494127 7.322892 1 1854 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 87.5 3.429372 -12.727068 8.015209 1 1855 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 81.25 3.8666532 -12.811028 9.412999 1 1856 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 76.17 5.0154796 -13.344419 9.792251 1 1857 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 71.48 5.8518867 -13.849756 8.890173 1 1858 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 71.48 5.3391476 -13.365803 11.072807 1 1859 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 96.48 4.8288517 -10.812225 2.8009546 1 1860 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 96.48 4.635156 -11.040377 1.3765821 1 1861 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 96.48 4.4103694 -12.529012 1.1118178 1 1862 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 96.09 4.9900975 -13.376396 1.783354 1 1863 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 95.7 5.8388634 -10.538046 0.58992714 1 1864 +ATOM N N . SER B0 2 24 . 24 SER B0 N 95.31 3.56445 -12.838617 0.1393614 1 1865 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 94.53 3.2600079 -14.235249 -0.18516442 1 1866 +ATOM C C . SER B0 2 24 . 24 SER B0 C 94.14 4.427704 -14.9334 -0.86850286 1 1867 +ATOM O O . SER B0 2 24 . 24 SER B0 O 92.58 4.4278703 -16.166832 -0.9632031 1 1868 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 94.14 2.012351 -14.312986 -1.0677792 1 1869 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 92.19 2.1991863 -13.608667 -2.2786694 1 1870 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 92.97 5.3928385 -14.171094 -1.3526096 1 1871 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 92.19 6.603749 -14.723815 -1.9462459 1 1872 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 93.75 7.7497673 -13.745258 -1.7478384 1 1873 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 92.97 7.531412 -12.590115 -1.363353 1 1874 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 90.23 6.3984976 -15.035301 -3.4288003 1 1875 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 84.77 6.0419493 -13.826657 -4.2776637 1 1876 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 80.47 5.7069397 -14.217499 -5.703603 1 1877 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 75.39 4.8363013 -15.063843 -5.91972 1 1878 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 72.27 6.3911643 -13.638736 -6.6681776 1 1879 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 92.19 8.966727 -14.203643 -1.9959309 1 1880 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 91.41 10.157267 -13.3953495 -1.7800463 1 1881 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 91.41 10.1546335 -12.164093 -2.684508 1 1882 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 90.23 10.129452 -12.292336 -3.9066389 1 1883 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 90.62 11.410044 -14.233208 -2.0345788 1 1884 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 88.28 12.681484 -13.588734 -1.5072428 1 1885 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 86.33 12.724796 -12.350581 -1.3694693 1 1886 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 85.16 13.657221 -14.334312 -1.2343295 1 1887 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 93.75 10.163168 -10.968027 -2.074393 1 1888 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 93.75 10.212723 -9.72159 -2.829336 1 1889 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 92.97 11.502287 -8.955031 -2.5584726 1 1890 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 91.02 11.612806 -7.767083 -2.9137917 1 1891 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 93.36 8.998468 -8.809826 -2.5111527 1 1892 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 91.8 8.968909 -8.439438 -1.030656 1 1893 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 90.62 7.7040977 -9.515717 -2.9208157 1 1894 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 89.45 7.9118576 -7.3980455 -0.68026507 1 1895 +ATOM N N . SER B0 2 28 . 28 SER B0 N 91.02 12.476922 -9.603461 -1.9517944 1 1896 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 89.84 13.795927 -9.030609 -1.6715865 1 1897 +ATOM C C . SER B0 2 28 . 28 SER B0 C 91.02 13.657619 -7.6912045 -0.94083226 1 1898 +ATOM O O . SER B0 2 28 . 28 SER B0 O 89.45 13.114116 -7.6531563 0.15979531 1 1899 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 87.5 14.58911 -8.876939 -2.963554 1 1900 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 82.03 14.819492 -10.145661 -3.5598946 1 1901 +ATOM N N . SER B0 2 29 . 29 SER B0 N 91.02 14.095264 -6.599802 -1.5361024 1 1902 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 90.62 14.037003 -5.282138 -0.9157373 1 1903 +ATOM C C . SER B0 2 29 . 29 SER B0 C 91.8 12.970747 -4.37324 -1.5268528 1 1904 +ATOM O O . SER B0 2 29 . 29 SER B0 O 90.62 12.964839 -3.163629 -1.2742342 1 1905 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 87.89 15.400944 -4.595474 -1.0093068 1 1906 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 83.59 16.398506 -5.332812 -0.32435954 1 1907 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 94.14 12.045924 -4.9327145 -2.3074038 1 1908 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 94.53 11.053035 -4.1387634 -3.0225852 1 1909 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 95.7 9.842309 -3.8290596 -2.1506438 1 1910 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 95.31 8.721434 -4.25959 -2.4306889 1 1911 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 92.97 10.627578 -4.850087 -4.296774 1 1912 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 97.27 10.052545 -3.063583 -1.0650504 1 1913 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 97.66 8.970591 -2.7296038 -0.15775083 1 1914 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 97.27 9.082294 -1.2836399 0.3100955 1 1915 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 96.88 10.175358 -0.8137994 0.6251586 1 1916 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 97.66 8.94801 -3.6597939 1.0573175 1 1917 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 96.88 7.657877 -3.5316978 1.8938007 1 1918 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 96.09 7.9592457 -3.0588994 3.2947931 1 1919 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 96.09 6.823305 -4.760869 1.8544245 1 1920 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 98.05 7.938367 -0.600335 0.3529247 1 1921 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 98.05 7.8612957 0.77722484 0.8262824 1 1922 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 98.05 6.757374 0.89681655 1.8664551 1 1923 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 98.44 5.854542 0.059899032 1.931046 1 1924 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 97.66 7.5947328 1.7397422 -0.3370692 1 1925 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 98.44 6.8369517 1.951963 2.686017 1 1926 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 98.44 5.8411036 2.23218 3.707352 1 1927 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 98.83 5.2892303 3.639931 3.523791 1 1928 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 98.44 6.0483713 4.5877433 3.2533517 1 1929 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 98.44 6.4412355 2.1120076 5.113742 1 1930 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 98.44 6.773862 0.7189471 5.5404987 1 1931 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 98.44 7.993313 0.111653 5.4755993 1 1932 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 98.83 5.881107 -0.24021912 6.116988 1 1933 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 98.44 7.920726 -1.1638131 5.99137 1 1934 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 98.44 6.6339455 -1.4055988 6.381752 1 1935 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 98.44 4.520139 -0.22963129 6.440839 1 1936 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 98.44 6.070737 -2.5479863 6.9535522 1 1937 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 98.05 3.9612088 -1.3644145 7.007802 1 1938 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 98.05 4.7374763 -2.5046601 7.257187 1 1939 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 98.44 3.9571443 3.7771034 3.7201762 1 1940 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 98.44 3.2730706 5.056737 3.5791516 1 1941 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 98.44 2.4289968 5.365427 4.8063116 1 1942 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 98.44 1.949193 4.4598403 5.493555 1 1943 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 98.44 2.3507805 5.0603375 2.350429 1 1944 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 98.44 3.0580573 4.776141 1.0529726 1 1945 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 98.05 3.243851 3.4677873 0.6183171 1 1946 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 98.05 3.5473285 5.8054905 0.2622332 1 1947 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 97.66 3.9007397 3.190943 -0.5695491 1 1948 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 97.66 4.203895 5.5431085 -0.931828 1 1949 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 98.44 4.376107 4.2325993 -1.3387012 1 1950 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 98.05 5.02684 3.963235 -2.507513 1 1951 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 98.44 2.234181 6.649088 5.0362997 1 1952 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 98.44 1.3516757 7.1299877 6.092471 1 1953 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 98.83 0.2131862 7.9074464 5.4494996 1 1954 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 98.44 0.44314456 8.711737 4.539027 1 1955 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 98.44 2.1236503 8.03592 7.0570984 1 1956 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 97.66 1.2586943 8.644366 8.170517 1 1957 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 98.05 1.9616367 9.797365 8.870913 1 1958 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 92.58 2.118631 10.882557 8.304575 1 1959 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 91.41 2.41472 9.564567 10.101699 1 1960 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 98.05 -1.0204344 7.6590595 5.912382 1 1961 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 98.05 -2.155315 8.413191 5.385745 1 1962 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 97.66 -3.0490634 8.898218 6.517787 1 1963 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 97.27 -3.4358282 8.118614 7.387988 1 1964 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 97.66 -2.9783883 7.5749207 4.407655 1 1965 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 98.05 -4.0891676 8.38966 3.7516365 1 1966 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 97.66 -4.958965 7.5783677 2.81898 1 1967 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 93.36 -5.299566 6.432665 3.109737 1 1968 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 92.97 -5.331811 8.17893 1.6830987 1 1969 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 95.7 -3.3607974 10.171639 6.483631 1 1970 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 95.31 -4.28799 10.770654 7.4354343 1 1971 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 95.31 -5.6062155 11.057015 6.729313 1 1972 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 94.53 -5.632186 11.220166 5.5023804 1 1973 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 94.53 -3.6896095 12.044824 8.033293 1 1974 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 92.97 -2.4609685 11.767733 8.879189 1 1975 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 91.41 -1.9450346 13.027099 9.561862 1 1976 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 89.45 -0.76566017 12.683583 10.455885 1 1977 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 85.94 -0.22304752 13.872756 11.139608 1 1978 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 92.58 -6.7264915 11.100269 7.4880896 1 1979 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 91.41 -8.037666 11.277246 6.8618736 1 1980 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 91.8 -8.096823 12.499334 5.948448 1 1981 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 90.23 -7.649742 13.588276 6.311182 1 1982 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 89.06 -8.97682 11.443068 8.061271 1 1983 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 87.89 -8.308668 10.67016 9.1522 1 1984 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 90.23 -6.833044 10.912343 8.945625 1 1985 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 92.58 -8.622677 12.292181 4.747002 1 1986 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 91.41 -8.791067 13.369593 3.7916613 1 1987 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 92.58 -7.527275 13.802813 3.0716689 1 1988 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 91.02 -7.5571585 14.794718 2.3363523 1 1989 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 96.88 -6.4270124 13.081375 3.2797818 1 1990 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 96.48 -5.1580887 13.442162 2.6590438 1 1991 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 97.27 -4.5979586 12.28377 1.8442562 1 1992 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 96.88 -4.9692183 11.125827 2.0508494 1 1993 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 96.09 -4.1412764 13.868586 3.7166753 1 1994 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 91.41 -4.5139074 15.143124 4.454072 1 1995 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 86.33 -3.3772902 15.592489 5.3557167 1 1996 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 80.08 -3.7160814 16.898457 6.0422363 1 1997 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 72.66 -2.6185088 17.348951 6.918115 1 1998 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 97.66 -3.7219667 12.622988 0.91563153 1 1999 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 98.05 -3.044296 11.6064 0.12398726 1 2000 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 98.05 -2.0019763 10.8988495 0.9770688 1 2001 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 98.05 -1.5263829 11.451093 1.9712174 1 2002 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 98.05 -2.3817427 12.242657 -1.0915775 1 2003 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 98.44 -1.6463087 9.675369 0.621147 1 2004 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 98.44 -0.5801081 8.98402 1.3523633 1 2005 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 98.44 0.74325824 9.733149 1.2439852 1 2006 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 98.44 0.9779717 10.475931 0.2877029 1 2007 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 98.44 -0.5063535 7.614387 0.6581602 1 2008 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 97.27 -1.857623 7.4286203 0.053886794 1 2009 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 98.05 -2.2762873 8.80904 -0.38740623 1 2010 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 98.44 1.5933816 9.536407 2.2459767 1 2011 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 98.44 2.9045186 10.164957 2.3043246 1 2012 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 98.83 3.964534 9.081854 2.4475894 1 2013 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 98.44 3.8540452 8.221817 3.3261333 1 2014 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 98.44 2.9761596 11.142509 3.4797535 1 2015 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 94.14 4.349766 11.725262 3.7364955 1 2016 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 91.8 4.356138 12.526146 5.032841 1 2017 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 84.77 5.752236 13.024574 5.3639956 1 2018 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 79.3 5.783472 13.735802 6.6723003 1 2019 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 98.05 4.9805346 9.121067 1.5904684 1 2020 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 98.44 6.0509048 8.131707 1.6456977 1 2021 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 98.44 6.8854103 8.300915 2.9118137 1 2022 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 98.05 7.3112526 9.408889 3.2434237 1 2023 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 98.44 6.9550953 8.252224 0.41330588 1 2024 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 98.05 8.16012 7.304742 0.36321983 1 2025 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 96.88 9.098341 7.7198687 -0.76934254 1 2026 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 96.88 7.712159 5.8627124 0.20025879 1 2027 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 98.83 7.117384 7.2047663 3.6245246 1 2028 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 98.44 7.9569926 7.204684 4.8137627 1 2029 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 98.44 9.273067 6.4851913 4.55859 1 2030 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 98.05 10.347538 7.0307093 4.8274527 1 2031 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 98.44 7.2476287 6.505683 5.978835 1 2032 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 98.44 5.9182577 7.0716834 6.474345 1 2033 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 98.05 5.3349724 6.1312246 7.5370445 1 2034 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 97.27 6.1071033 8.464861 7.046737 1 2035 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 98.05 9.1806755 5.2672844 4.071747 1 2036 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 98.05 10.324537 4.3700895 3.8920355 1 2037 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 98.05 10.255814 3.749198 2.4961605 1 2038 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 98.05 9.174101 3.3914802 2.026542 1 2039 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 98.44 10.324968 3.2407904 4.947349 1 2040 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 97.27 10.384935 3.8092356 6.3674984 1 2041 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 98.05 11.458776 2.2568355 4.696604 1 2042 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 94.53 11.727087 4.3791585 6.7678556 1 2043 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 96.48 11.406263 3.6339002 1.8271396 1 2044 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 96.48 11.475264 2.9096622 0.56350815 1 2045 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 96.48 12.659111 1.9491405 0.5910864 1 2046 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 96.48 13.572965 2.0952344 1.410292 1 2047 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 96.09 11.564289 3.8628128 -0.63332236 1 2048 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 95.31 12.78507 4.774783 -0.6339294 1 2049 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 94.53 12.744177 6.0181475 -0.0088165635 1 2050 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 94.14 13.953984 4.3995514 -1.2767456 1 2051 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 93.36 13.844748 6.861516 -0.022262607 1 2052 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 93.36 15.052431 5.236579 -1.2950048 1 2053 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 93.75 14.994177 6.4596853 -0.66450703 1 2054 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 92.58 16.086761 7.296076 -0.6860024 1 2055 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 94.92 12.632569 0.9509114 -0.28587574 1 2056 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 94.92 13.673308 -0.07359111 -0.33900666 1 2057 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 95.31 13.933735 -0.6586486 1.0468032 1 2058 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 94.53 15.070379 -0.8259394 1.4687295 1 2059 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 93.36 14.965469 0.4847456 -0.9466013 1 2060 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 91.41 14.848246 0.7547593 -2.4368126 1 2061 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 89.06 13.7817135 0.46532995 -3.021831 1 2062 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 87.5 15.824889 1.2650166 -3.0195665 1 2063 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 96.48 12.834916 -0.95706683 1.7667501 1 2064 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 96.09 12.812506 -1.6099036 3.0731266 1 2065 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 96.48 13.200429 -0.6755565 4.224317 1 2066 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 95.7 12.445816 -0.5434183 5.182524 1 2067 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 95.7 13.677378 -2.8863668 3.1258488 1 2068 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 93.75 13.613156 -3.5283735 4.506803 1 2069 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 92.97 13.224216 -3.8815262 2.0536737 1 2070 +ATOM N N . SER B0 2 50 . 50 SER B0 N 95.31 14.36756 -0.013359802 4.114693 1 2071 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 94.53 14.881673 0.71589386 5.265203 1 2072 +ATOM C C . SER B0 2 50 . 50 SER B0 C 95.31 15.348421 2.1386375 4.969902 1 2073 +ATOM O O . SER B0 2 50 . 50 SER B0 O 94.53 15.83701 2.8126717 5.8819246 1 2074 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 93.36 16.034277 -0.06443365 5.9107127 1 2075 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 91.41 17.105556 -0.22844118 4.9988937 1 2076 +ATOM N N . SER B0 2 51 . 51 SER B0 N 94.53 15.209356 2.6130953 3.7243075 1 2077 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 94.53 15.6682205 3.957313 3.3871298 1 2078 +ATOM C C . SER B0 2 51 . 51 SER B0 C 95.7 14.632864 4.995422 3.8262744 1 2079 +ATOM O O . SER B0 2 51 . 51 SER B0 O 95.7 13.479972 4.95804 3.393743 1 2080 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 92.97 15.939954 4.0787563 1.8929586 1 2081 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 89.06 16.994665 3.2226267 1.4863602 1 2082 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 96.88 15.05171 5.9306393 4.683281 1 2083 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 96.88 14.163785 6.954215 5.2116528 1 2084 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 96.48 14.040365 8.09951 4.216396 1 2085 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 95.7 15.045073 8.670546 3.7910833 1 2086 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 96.88 14.698404 7.470003 6.5469894 1 2087 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 95.7 13.767393 8.357008 7.3884573 1 2088 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 94.14 14.527113 8.983859 8.53861 1 2089 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 93.36 12.5753 7.5575304 7.886814 1 2090 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 96.88 12.794322 8.421436 3.8340619 1 2091 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 96.88 12.572714 9.525846 2.9071999 1 2092 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 96.88 12.966551 10.842938 3.5555432 1 2093 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 96.48 12.805905 11.030756 4.768076 1 2094 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 96.09 11.0933075 9.561822 2.483367 1 2095 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 94.53 10.689501 10.78104 1.6474186 1 2096 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 94.14 11.225105 10.772612 0.22811265 1 2097 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 91.8 12.312427 10.210358 -0.025151938 1 2098 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 91.41 10.556565 11.345579 -0.6531286 1 2099 +ATOM N N . SER B0 2 54 . 54 SER B0 N 95.31 13.498629 11.772859 2.7558908 1 2100 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 94.92 13.909776 13.076023 3.2685037 1 2101 +ATOM C C . SER B0 2 54 . 54 SER B0 C 95.31 12.741159 13.785527 3.9474297 1 2102 +ATOM O O . SER B0 2 54 . 54 SER B0 O 94.53 11.628037 13.813549 3.4178529 1 2103 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 92.97 14.454983 13.944151 2.136897 1 2104 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 85.55 15.6137705 13.377409 1.574626 1 2105 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 96.48 13.002248 14.355635 5.105159 1 2106 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 96.48 11.987959 15.064859 5.847204 1 2107 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 96.88 11.198141 14.219114 6.8198967 1 2108 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 96.48 10.453707 14.763003 7.639289 1 2109 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 97.66 11.3440695 12.899443 6.73433 1 2110 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 97.66 10.629427 12.002598 7.6396623 1 2111 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 97.66 11.431019 11.860099 8.930195 1 2112 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 97.27 12.643186 11.643126 8.88881 1 2113 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 98.05 10.399357 10.626324 6.9894013 1 2114 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 97.27 9.739059 9.668571 7.9699945 1 2115 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 96.88 9.554575 10.780774 5.7261286 1 2116 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 97.66 10.772374 11.989794 10.105276 1 2117 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 98.05 11.484217 11.897432 11.385727 1 2118 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 97.66 12.212506 10.563583 11.548412 1 2119 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 97.27 11.735987 9.52012 11.094716 1 2120 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 97.27 10.367656 12.054905 12.425765 1 2121 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 96.09 9.2954235 12.815229 11.717683 1 2122 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 97.27 9.349281 12.329597 10.294042 1 2123 +ATOM N N . SER B0 2 58 . 58 SER B0 N 97.66 13.357105 10.606049 12.226127 1 2124 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 97.27 14.193606 9.42737 12.412247 1 2125 +ATOM C C . SER B0 2 58 . 58 SER B0 C 97.66 13.565964 8.374767 13.32519 1 2126 +ATOM O O . SER B0 2 58 . 58 SER B0 O 97.27 14.092294 7.2597466 13.415634 1 2127 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 95.7 15.563511 9.833179 12.963495 1 2128 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 90.23 15.434664 10.492315 14.205563 1 2129 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 98.05 12.46196 8.705455 14.00663 1 2130 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 98.05 11.800409 7.7091966 14.835746 1 2131 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 98.05 11.133029 6.6244555 13.995203 1 2132 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 98.05 10.789151 5.5712357 14.527115 1 2133 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 97.27 10.77983 8.361502 15.776056 1 2134 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 96.09 9.615259 9.030472 15.0887165 1 2135 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 95.31 8.713964 9.693134 16.118942 1 2136 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 94.92 7.6275644 10.466333 15.493791 1 2137 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 95.7 7.7687197 11.731146 15.102304 1 2138 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 94.14 8.937871 12.366522 15.251131 1 2139 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 93.75 6.751116 12.3473625 14.549089 1 2140 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 98.44 10.974598 6.867009 12.679853 1 2141 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 98.44 10.467413 5.8535824 11.765503 1 2142 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 98.05 11.631895 5.0359917 11.207335 1 2143 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 97.66 12.643647 5.597294 10.7931 1 2144 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 98.05 9.710021 6.5004644 10.599579 1 2145 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 98.44 8.413793 7.1439915 10.987945 1 2146 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 97.66 8.361812 8.499384 11.285557 1 2147 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 97.66 7.2500916 6.3997593 11.038754 1 2148 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 97.66 7.165122 9.10141 11.63962 1 2149 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 97.27 6.048868 6.994684 11.38753 1 2150 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 98.05 6.0058556 8.34841 11.686206 1 2151 +ATOM N N . SER B0 2 61 . 61 SER B0 N 98.44 11.46474 3.7295918 11.197256 1 2152 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 98.44 12.489058 2.8648415 10.6157875 1 2153 +ATOM C C . SER B0 2 61 . 61 SER B0 C 98.44 11.838616 1.6165007 10.039902 1 2154 +ATOM O O . SER B0 2 61 . 61 SER B0 O 98.44 10.776631 1.1872576 10.491455 1 2155 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 97.66 13.553419 2.4744473 11.649917 1 2156 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 94.14 12.99103 1.6810495 12.679001 1 2157 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 97.66 12.45971 1.0630454 9.020089 1 2158 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 97.66 11.97639 -0.15679647 8.3944 1 2159 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 97.66 13.053616 -1.2224786 8.391592 1 2160 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 96.88 14.247979 -0.91730016 8.367523 1 2161 +ATOM N N . SER B0 2 63 . 63 SER B0 N 97.66 12.635229 -2.4637315 8.437741 1 2162 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 97.66 13.571615 -3.5803926 8.423456 1 2163 +ATOM C C . SER B0 2 63 . 63 SER B0 C 97.66 12.910824 -4.7949686 7.7844896 1 2164 +ATOM O O . SER B0 2 63 . 63 SER B0 O 97.27 11.70109 -4.810951 7.553937 1 2165 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 96.88 14.049358 -3.9232862 9.843387 1 2166 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 92.58 12.971577 -4.378055 10.635705 1 2167 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 96.48 13.732349 -5.8039956 7.509269 1 2168 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 96.09 13.226961 -7.038523 6.943446 1 2169 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 96.09 13.837978 -7.3455763 5.590434 1 2170 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 94.92 14.550621 -6.5293627 5.011696 1 2171 +ATOM N N . SER B0 2 65 . 65 SER B0 N 94.53 13.553179 -8.519091 5.106594 1 2172 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 94.14 13.992029 -8.95693 3.7874255 1 2173 +ATOM C C . SER B0 2 65 . 65 SER B0 C 94.53 13.18923 -10.182302 3.3838172 1 2174 +ATOM O O . SER B0 2 65 . 65 SER B0 O 92.97 12.62373 -10.877142 4.2280097 1 2175 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 92.58 15.489876 -9.282196 3.772575 1 2176 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 86.72 15.778697 -10.388542 4.614443 1 2177 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 94.14 13.14027 -10.434331 2.0828648 1 2178 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 94.14 12.460082 -11.630222 1.6112278 1 2179 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 94.92 10.947538 -11.517049 1.6695852 1 2180 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 94.14 10.323259 -10.928171 0.7817254 1 2181 +ATOM N N . THR B0 2 67 . 67 THR B0 N 96.48 10.362761 -12.05352 2.7389717 1 2182 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 96.48 8.916316 -12.079531 2.8711157 1 2183 +ATOM C C . THR B0 2 67 . 67 THR B0 C 97.27 8.392046 -11.364023 4.1076107 1 2184 +ATOM O O . THR B0 2 67 . 67 THR B0 O 96.48 7.190057 -11.084703 4.1795597 1 2185 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 95.31 8.381697 -13.527929 2.889466 1 2186 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 93.36 8.95155 -14.233907 3.9972477 1 2187 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 92.58 8.7251625 -14.264913 1.594626 1 2188 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 96.88 9.248843 -11.064794 5.0808687 1 2189 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 96.88 8.8004055 -10.474286 6.3375025 1 2190 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 97.27 9.422941 -9.095574 6.541995 1 2191 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 96.48 10.645998 -8.957886 6.546117 1 2192 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 96.09 9.142044 -11.388519 7.517732 1 2193 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 91.8 8.34455 -12.685395 7.491615 1 2194 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 87.89 8.872456 -13.710077 7.972194 1 2195 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 87.11 7.197651 -12.679224 6.9963303 1 2196 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 98.05 8.566261 -8.09462 6.730577 1 2197 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 98.05 9.01961 -6.7126355 6.8589907 1 2198 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 98.05 8.335588 -6.029256 8.03479 1 2199 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 98.05 7.2184353 -6.393637 8.411646 1 2200 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 97.66 8.743772 -5.941695 5.564537 1 2201 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 97.27 9.370234 -6.580793 4.364144 1 2202 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 96.48 8.681318 -7.5446696 3.6356592 1 2203 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 96.09 10.659839 -6.242837 3.9773178 1 2204 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 95.7 9.268404 -8.162247 2.541579 1 2205 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 95.7 11.25006 -6.8489904 2.8829744 1 2206 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 96.09 10.549366 -7.8090825 2.16194 1 2207 +ATOM N N . THR B0 2 70 . 70 THR B0 N 98.05 9.012887 -5.0313234 8.595117 1 2208 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 98.44 8.501371 -4.359305 9.777452 1 2209 +ATOM C C . THR B0 2 70 . 70 THR B0 C 98.44 8.720527 -2.854126 9.676569 1 2210 +ATOM O O . THR B0 2 70 . 70 THR B0 O 98.05 9.787077 -2.4009502 9.259144 1 2211 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 97.66 9.183765 -4.8811197 11.0532 1 2212 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 91.8 8.943274 -6.2846727 11.189962 1 2213 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 91.41 8.661306 -4.16588 12.296009 1 2214 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 98.44 7.6880293 -2.0934198 10.050774 1 2215 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 98.83 7.7985044 -0.6577155 10.25263 1 2216 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 98.44 7.770073 -0.40330604 11.749851 1 2217 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 98.05 6.8913774 -0.91785145 12.449667 1 2218 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 98.44 6.6455946 0.09627363 9.580729 1 2219 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 98.44 6.5881777 1.6079845 9.8538 1 2220 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 97.66 5.239375 2.1845496 9.433334 1 2221 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 97.66 7.7312727 2.3332362 9.15365 1 2222 +ATOM N N . THR B0 2 72 . 72 THR B0 N 98.05 8.7384815 0.35533574 12.241669 1 2223 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 98.44 8.806982 0.64661205 13.666027 1 2224 +ATOM C C . THR B0 2 72 . 72 THR B0 C 98.44 8.774431 2.1539564 13.897013 1 2225 +ATOM O O . THR B0 2 72 . 72 THR B0 O 98.05 9.47312 2.9085274 13.214348 1 2226 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 98.05 10.083508 0.06261737 14.295283 1 2227 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 94.92 10.081842 -1.3636603 14.15232 1 2228 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 94.53 10.178028 0.40964866 15.776866 1 2229 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 98.05 7.9367285 2.5826435 14.830623 1 2230 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 98.05 7.9479814 3.9553413 15.32284 1 2231 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 98.05 8.481245 3.864964 16.75015 1 2232 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 97.66 7.79445 3.3510723 17.634726 1 2233 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 98.05 6.5449657 4.592973 15.299719 1 2234 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 97.27 5.8673544 4.360569 13.944822 1 2235 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 96.48 6.6510744 6.0903826 15.594372 1 2236 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 95.7 4.426685 4.8564634 13.871471 1 2237 +ATOM N N . SER B0 2 74 . 74 SER B0 N 98.05 9.704984 4.324091 16.950653 1 2238 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 97.66 10.395353 4.1133623 18.22385 1 2239 +ATOM C C . SER B0 2 74 . 74 SER B0 C 97.66 9.738146 4.836395 19.392017 1 2240 +ATOM O O . SER B0 2 74 . 74 SER B0 O 96.48 9.756487 4.3286905 20.517807 1 2241 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 96.48 11.850883 4.569619 18.108234 1 2242 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 94.53 11.922149 5.9534473 17.82878 1 2243 +ATOM N N . SER B0 2 75 . 75 SER B0 N 96.88 9.161922 6.000987 19.159185 1 2244 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 97.27 8.501284 6.7786283 20.200516 1 2245 +ATOM C C . SER B0 2 75 . 75 SER B0 C 97.27 7.3292103 7.5329666 19.566858 1 2246 +ATOM O O . SER B0 2 75 . 75 SER B0 O 96.48 7.512353 8.603912 18.98684 1 2247 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 96.48 9.481506 7.7551546 20.861572 1 2248 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 91.02 8.865129 8.450342 21.939651 1 2249 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 96.09 6.140007 6.962156 19.690054 1 2250 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 96.48 4.950629 7.4818788 19.020184 1 2251 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 96.48 4.6570387 8.922394 19.437439 1 2252 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 95.7 4.669748 9.252978 20.628426 1 2253 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 95.7 3.7516823 6.586355 19.333508 1 2254 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 94.92 2.530503 6.6999254 18.42354 1 2255 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 93.36 1.3854179 5.895079 19.021858 1 2256 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 92.97 2.8581886 6.2137055 17.021223 1 2257 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 94.92 4.4017243 9.761665 18.437475 1 2258 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 94.53 4.0719633 11.166635 18.663084 1 2259 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 94.14 2.621757 11.414158 18.266453 1 2260 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 93.36 2.0357656 10.628303 17.507479 1 2261 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 94.92 5.010252 12.080703 17.869667 1 2262 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 93.75 6.4803247 11.915662 18.240707 1 2263 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 92.19 6.731864 12.195736 19.711565 1 2264 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 88.28 6.4320183 13.268068 20.21145 1 2265 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 87.11 7.2670407 11.2097 20.418694 1 2266 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 91.8 2.0071726 12.504985 18.767855 1 2267 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 90.62 0.59832 12.768879 18.448208 1 2268 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 91.8 0.30771357 12.803983 16.951881 1 2269 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 90.62 -0.7530687 12.342346 16.52269 1 2270 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 89.45 0.35125536 14.132258 19.10609 1 2271 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 87.5 1.2968825 14.170668 20.254316 1 2272 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 89.45 2.5332818 13.483345 19.747005 1 2273 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 93.75 1.2330134 13.322282 16.151257 1 2274 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 93.36 1.0102702 13.418819 14.712717 1 2275 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 93.36 1.178752 12.086819 13.994902 1 2276 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 92.58 0.95687354 12.011495 12.785424 1 2277 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 92.19 1.9448217 14.465363 14.0938 1 2278 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 87.11 3.4347277 14.13233 14.221393 1 2279 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 84.38 4.0781565 14.774566 15.425153 1 2280 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 80.86 3.3949132 14.937892 16.472116 1 2281 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 80.47 5.27705 15.110205 15.354228 1 2282 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 95.7 1.5686834 11.030485 14.712971 1 2283 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 96.09 1.7869682 9.722816 14.109224 1 2284 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 95.31 0.5348185 8.859159 14.087173 1 2285 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 94.53 0.5631006 7.774151 13.4896755 1 2286 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 95.7 2.902382 8.9734 14.848112 1 2287 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 96.48 4.2289944 9.710232 14.80719 1 2288 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 95.31 4.412923 10.560557 13.906872 1 2289 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 95.31 5.074731 9.440649 15.681606 1 2290 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 94.92 -0.54115546 9.29138 14.724098 1 2291 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 94.14 -1.7760963 8.523769 14.6890335 1 2292 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 94.53 -2.41034 8.693932 13.310749 1 2293 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 92.97 -2.8389816 9.776201 12.939615 1 2294 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 92.19 -2.7132435 8.962286 15.815308 1 2295 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 86.72 -2.1852074 8.595047 17.17397 1 2296 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 84.38 -1.5146309 9.52609 17.951992 1 2297 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 83.98 -2.342526 7.304381 17.654 1 2298 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 80.86 -1.0107005 9.177752 19.192974 1 2299 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 81.64 -1.8392171 6.9504976 18.899506 1 2300 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 80.08 -1.1707556 7.8907957 19.672497 1 2301 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 96.09 -2.4153526 7.593766 12.572096 1 2302 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 96.09 -2.8060243 7.587639 11.164745 1 2303 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 96.09 -2.9128144 6.145792 10.706047 1 2304 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 95.7 -2.7786622 5.2211127 11.498367 1 2305 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 95.31 -1.777694 8.3474 10.3218975 1 2306 +ATOM N N . THR B0 2 83 . 83 THR B0 N 97.27 -3.1670625 5.959443 9.410909 1 2307 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 97.66 -3.1786695 4.62282 8.828172 1 2308 +ATOM C C . THR B0 2 83 . 83 THR B0 C 97.66 -1.8906617 4.4296274 8.035997 1 2309 +ATOM O O . THR B0 2 83 . 83 THR B0 O 97.66 -1.4625189 5.323792 7.2995243 1 2310 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 96.88 -4.404022 4.4250975 7.9180245 1 2311 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 95.31 -5.603557 4.6277246 8.68688 1 2312 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 95.7 -4.4310656 3.0211527 7.3215275 1 2313 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 98.44 -1.2672396 3.2705393 8.201288 1 2314 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 98.44 0.0027289519 2.9618347 7.5552425 1 2315 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 98.44 -0.16271347 1.8027561 6.5726905 1 2316 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 98.05 -0.832816 0.8138656 6.873855 1 2317 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 98.44 1.0727061 2.6297355 8.599245 1 2318 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 98.83 1.3977537 3.8141403 9.480187 1 2319 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 98.05 0.61918557 4.1134195 10.598545 1 2320 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 97.66 2.4583282 4.6590242 9.179491 1 2321 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 98.05 0.8900376 5.2229557 11.384606 1 2322 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 98.05 2.7361178 5.7687626 9.965845 1 2323 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 98.44 1.9528089 6.0432653 11.065401 1 2324 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 98.05 2.217045 7.1420183 11.839119 1 2325 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 98.44 0.43840045 1.9592493 5.3911943 1 2326 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 98.44 0.3577588 0.9542681 4.340393 1 2327 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 98.83 1.7455463 0.52727383 3.878868 1 2328 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 98.44 2.638637 1.3656257 3.728569 1 2329 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 98.83 -0.39553446 1.496094 3.1145449 1 2330 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 98.44 -1.8535687 1.8060501 3.3400667 1 2331 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 97.66 -2.2633605 3.093406 3.6755128 1 2332 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 98.05 -2.8230047 0.8234364 3.1956174 1 2333 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 97.66 -3.6004167 3.3854036 3.8761976 1 2334 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 97.66 -4.1612787 1.1090338 3.3914545 1 2335 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 98.05 -4.5446234 2.3887234 3.7284532 1 2336 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 97.27 -5.860433 2.6750374 3.9251127 1 2337 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 98.83 1.9219146 -0.7738416 3.6747859 1 2338 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 98.44 3.1157851 -1.25704 2.9982877 1 2339 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 98.83 2.7816005 -1.4590049 1.5286 1 2340 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 98.44 1.6121507 -1.552485 1.1468666 1 2341 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 98.05 3.6312873 -2.562951 3.622559 1 2342 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 97.27 2.4731197 -3.9279337 3.6130123 1 2343 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 98.44 3.8125794 -1.4805996 0.6892934 1 2344 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 98.44 3.624585 -1.6034898 -0.7512922 1 2345 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 98.05 4.805271 -2.360727 -1.3586166 1 2346 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 97.66 5.950714 -2.0749514 -1.0235353 1 2347 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 98.05 3.4909039 -0.22572675 -1.4033384 1 2348 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 96.88 3.519853 -0.2589553 -2.9359179 1 2349 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 97.66 4.782527 0.36790183 -3.4973145 1 2350 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 91.8 5.0202208 1.5542698 -3.3171182 1 2351 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 92.19 5.609067 -0.43765557 -4.1609287 1 2352 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 97.27 4.4897513 -3.3255908 -2.2160077 1 2353 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 97.27 5.5302725 -4.053836 -2.9248486 1 2354 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 97.27 5.458346 -3.7567916 -4.4137545 1 2355 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 96.88 4.3846307 -3.4748616 -4.945039 1 2356 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 96.09 5.4094734 -5.5695105 -2.7044148 1 2357 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 93.36 4.1775 -6.188509 -3.3775597 1 2358 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 93.36 4.2349653 -7.702007 -3.4415302 1 2359 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 89.45 5.26997 -8.279863 -3.748902 1 2360 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 87.11 3.107227 -8.349354 -3.1431155 1 2361 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 94.53 6.607181 -3.8128529 -5.0802536 1 2362 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 94.14 6.7022204 -3.6963193 -6.528676 1 2363 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 93.75 7.430763 -4.9363604 -7.041485 1 2364 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 92.19 8.568192 -5.1873417 -6.6344986 1 2365 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 92.97 7.465863 -2.4265704 -6.9132757 1 2366 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 92.58 7.740137 -2.300251 -8.385971 1 2367 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 91.02 9.039421 -2.231811 -8.861265 1 2368 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 90.62 6.6928377 -2.232201 -9.2880945 1 2369 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 88.67 9.287413 -2.1057262 -10.220415 1 2370 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 88.67 6.936808 -2.1063151 -10.64278 1 2371 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 88.67 8.239299 -2.0435433 -11.1155815 1 2372 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 91.8 6.766347 -5.713222 -7.8783846 1 2373 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 91.02 7.2872806 -7.0033884 -8.310438 1 2374 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 91.41 7.9441175 -6.9964504 -9.690683 1 2375 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 89.84 8.13976 -8.061482 -10.280359 1 2376 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 89.06 6.1741514 -8.052498 -8.280798 1 2377 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 84.77 5.708989 -8.34565 -6.8655457 1 2378 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 80.86 6.477846 -8.239185 -5.914673 1 2379 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 79.69 4.45072 -8.727383 -6.718531 1 2380 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 89.06 8.307119 -5.8377833 -10.20122 1 2381 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 88.28 9.069887 -5.7812977 -11.43535 1 2382 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 88.67 8.236433 -5.6269593 -12.692548 1 2383 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 85.94 7.036123 -5.34988 -12.638561 1 2384 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 88.67 8.881859 -5.829859 -13.828522 1 2385 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 88.28 8.234713 -5.667611 -15.125822 1 2386 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 88.67 7.755729 -7.0050125 -15.656294 1 2387 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 86.33 8.518831 -7.972255 -15.651331 1 2388 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 86.72 9.207422 -5.0138273 -16.119225 1 2389 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 84.77 8.530215 -4.5397778 -17.377865 1 2390 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 81.64 8.269085 -5.4270597 -18.413443 1 2391 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 81.25 8.134154 -3.2114382 -17.535603 1 2392 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 79.3 7.626131 -5.0125055 -19.558569 1 2393 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 78.52 7.4974356 -2.785929 -18.684237 1 2394 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 78.52 7.2450285 -3.6891026 -19.693268 1 2395 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 76.95 6.603552 -3.2798915 -20.825157 1 2396 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 88.67 6.509458 -7.1062236 -16.194553 1 2397 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 88.67 5.5021596 -6.034977 -16.168537 1 2398 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 90.23 5.069991 -5.7324386 -14.745409 1 2399 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 89.06 5.054218 -6.6222878 -13.889259 1 2400 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 87.11 4.3523755 -6.62202 -16.994034 1 2401 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 84.38 4.4920883 -8.094514 -16.78753 1 2402 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 85.16 5.9821873 -8.34953 -16.738686 1 2403 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 91.41 4.764024 -4.468933 -14.4914465 1 2404 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 91.02 4.4902315 -4.0088186 -13.13594 1 2405 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 91.02 3.4498568 -4.8738375 -12.429201 1 2406 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 88.67 2.3607569 -5.121397 -12.959738 1 2407 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 89.84 4.0165453 -2.5506382 -13.153103 1 2408 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 89.84 5.102125 -1.5724548 -13.488527 1 2409 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 85.55 5.7133937 -1.5523055 -14.724827 1 2410 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 85.55 5.670412 -0.5809511 -12.775153 1 2411 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 85.55 6.619886 -0.59049726 -14.741771 1 2412 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 85.94 6.615842 0.015067317 -13.575941 1 2413 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 92.97 3.805471 -5.335 -11.257305 1 2414 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 93.36 2.9101346 -6.0269165 -10.345645 1 2415 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 94.92 3.0967972 -5.3928823 -8.980109 1 2416 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 94.14 4.05521 -5.700963 -8.265135 1 2417 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 91.02 3.1951652 -7.524276 -10.296047 1 2418 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 85.55 2.8232946 -8.282621 -11.57543 1 2419 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 82.03 1.3081968 -8.40855 -11.711101 1 2420 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 76.95 0.91433173 -9.239618 -12.843066 1 2421 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 72.66 0.77240986 -8.791086 -14.089515 1 2422 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 67.58 1.0071822 -7.5084267 -14.372816 1 2423 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 67.97 0.42877454 -9.603195 -15.047893 1 2424 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 96.09 2.201323 -4.483093 -8.644274 1 2425 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 96.48 2.3149755 -3.683391 -7.438475 1 2426 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 96.48 1.0770513 -3.881722 -6.584651 1 2427 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 96.09 -0.047996085 -3.853531 -7.097388 1 2428 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 96.09 2.4784174 -2.2055333 -7.824976 1 2429 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 94.14 2.732727 -1.1510744 -6.757289 1 2430 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 92.58 3.4758458 0.031075869 -7.3778687 1 2431 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 92.19 1.4397085 -0.6746087 -6.107501 1 2432 +ATOM N N . THR B0 2 97 . 97 THR B0 N 97.66 1.2788739 -4.1051383 -5.3000975 1 2433 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 97.27 0.15845537 -4.268161 -4.382831 1 2434 +ATOM C C . THR B0 2 97 . 97 THR B0 C 98.05 0.43618533 -3.5371614 -3.0739481 1 2435 +ATOM O O . THR B0 2 97 . 97 THR B0 O 98.05 1.5906056 -3.3788605 -2.6672897 1 2436 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 96.88 -0.13289458 -5.7552633 -4.066054 1 2437 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 91.02 1.0604944 -6.3891673 -3.5755787 1 2438 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 90.23 -0.62919927 -6.499556 -5.3010845 1 2439 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 98.05 -0.64063495 -3.0925193 -2.4368534 1 2440 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 98.05 -0.57341677 -2.49295 -1.1129956 1 2441 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 98.44 -1.0751498 -3.484325 -0.070996135 1 2442 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 98.05 -1.9053569 -4.345668 -0.37235546 1 2443 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 98.44 -1.4441501 -1.2321064 -1.0385392 1 2444 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 98.44 -0.94104445 -0.07201061 -1.8371174 1 2445 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 98.05 -1.404853 0.15031107 -3.1224432 1 2446 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 97.66 -0.024681222 0.81093764 -1.2910863 1 2447 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 97.66 -0.945323 1.2287588 -3.8557038 1 2448 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 97.66 0.4359737 1.8950995 -2.018772 1 2449 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 98.05 -0.027621984 2.10307 -3.3018084 1 2450 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 98.05 -0.56795865 -3.3382585 1.1521883 1 2451 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 98.05 -1.1350874 -4.0847073 2.259474 1 2452 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 98.05 -2.490336 -3.5026178 2.6299162 1 2453 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 97.66 -2.8835492 -2.4355597 2.1596437 1 2454 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 97.66 -3.2029731 -4.19477 3.4882026 1 2455 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 97.27 -4.533978 -3.7756233 3.8874168 1 2456 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 97.66 -4.5806746 -2.5581064 4.7857323 1 2457 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 97.27 -5.641217 -1.9647453 4.985548 1 2458 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 97.27 -3.4401023 -2.1712575 5.3219805 1 2459 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 97.66 -3.3698308 -1.0010616 6.1814413 1 2460 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 97.66 -3.448007 -1.3307183 7.658662 1 2461 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 97.27 -4.0478907 -2.3370695 8.0577965 1 2462 +ATOM N N . THR B0 2 102 . 102 THR B0 N 97.27 -2.8236613 -0.48668945 8.45921 1 2463 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 97.66 -2.8866997 -0.58607024 9.908773 1 2464 +ATOM C C . THR B0 2 102 . 102 THR B0 C 97.27 -3.2480094 0.7900465 10.453961 1 2465 +ATOM O O . THR B0 2 102 . 102 THR B0 O 97.27 -2.5161247 1.7594621 10.229776 1 2466 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 97.66 -1.5468557 -1.0382562 10.518476 1 2467 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 96.88 -1.2456796 -2.3713377 10.088659 1 2468 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 96.88 -1.6046727 -1.000952 12.046421 1 2469 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 96.09 -4.3740635 0.87532794 11.150817 1 2470 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 96.09 -4.801485 2.1399083 11.731932 1 2471 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 96.09 -4.291971 2.2290874 13.164286 1 2472 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 96.09 -4.638546 1.394589 14.003799 1 2473 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 94.92 -6.3270235 2.2681746 11.699436 1 2474 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 90.23 -6.8148847 3.6535313 12.104559 1 2475 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 87.11 -8.313979 3.800501 11.867116 1 2476 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 80.47 -8.771093 5.2256384 12.175432 1 2477 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 74.22 -10.209 5.397909 11.923665 1 2478 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 96.88 -3.4433107 3.2134938 13.413247 1 2479 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 96.48 -2.886408 3.4228683 14.745556 1 2480 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 96.09 -3.7382822 4.468858 15.448122 1 2481 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 94.92 -3.7954211 5.624998 15.019161 1 2482 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 96.88 -1.4164331 3.8774137 14.687108 1 2483 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 95.7 -0.87617844 4.093122 16.089018 1 2484 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 95.7 -0.58086896 2.8418121 13.931332 1 2485 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 96.09 -4.3861685 4.0613422 16.521555 1 2486 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 95.7 -5.2939143 4.930882 17.26523 1 2487 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 95.7 -4.7825394 5.1639357 18.686016 1 2488 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 95.31 -3.8924708 4.4612126 19.165188 1 2489 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 94.53 -6.698917 4.3271666 17.302608 1 2490 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 90.62 -7.3020744 4.13521 15.921123 1 2491 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 88.67 -8.748667 3.6908007 15.949322 1 2492 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 85.55 -9.590164 4.3557286 15.323026 1 2493 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 85.55 -9.036878 2.6727276 16.611275 1 2494 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 95.31 -5.358259 6.1758585 19.34191 1 2495 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 94.92 -4.9072523 6.581101 20.665337 1 2496 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 95.7 -5.5281305 5.682994 21.735579 1 2497 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 95.31 -6.746108 5.49115 21.757624 1 2498 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 93.36 -5.2677226 8.051163 20.944134 1 2499 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 88.67 -4.73314 8.951799 19.829882 1 2500 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 87.5 -4.735386 8.482479 22.312723 1 2501 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 81.64 -5.2607617 10.382612 19.879719 1 2502 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 95.31 -4.6923685 5.160037 22.612114 1 2503 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 95.31 -5.1649227 4.347132 23.72197 1 2504 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 94.92 -5.5943127 5.2488422 24.868038 1 2505 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 93.75 -4.9243546 6.2431087 25.175482 1 2506 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 94.53 -4.069559 3.3840384 24.199081 1 2507 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 90.23 -4.5033894 2.499202 25.371143 1 2508 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 87.5 -3.336217 1.6836979 25.92777 1 2509 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 82.03 -2.8453457 0.65002084 24.929424 1 2510 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 77.34 -1.7653449 -0.19696708 25.508205 1 2511 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 95.31 -6.7021236 4.9007874 25.495388 1 2512 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 94.92 -7.183564 5.6154366 26.669403 1 2513 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 94.92 -7.9411907 4.6444445 27.548225 1 2514 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 94.14 -8.109583 3.473844 27.17839 1 2515 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 94.14 -8.074415 6.8006945 26.285181 1 2516 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 92.58 -9.346512 6.431285 25.52042 1 2517 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 92.19 -10.457338 7.425187 25.810207 1 2518 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 91.41 -10.969583 7.234731 27.167408 1 2519 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 92.19 -11.545464 8.185465 27.897257 1 2520 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 88.67 -11.682235 9.401786 27.405792 1 2521 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 89.45 -11.976251 7.9013147 29.120834 1 2522 +ATOM N N . THR B0 2 109 . 109 THR B0 N 95.7 -8.40074 5.092847 28.703709 1 2523 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 95.7 -9.148626 4.23394 29.611061 1 2524 +ATOM C C . THR B0 2 109 . 109 THR B0 C 96.48 -10.524265 3.9213681 29.035149 1 2525 +ATOM O O . THR B0 2 109 . 109 THR B0 O 95.31 -11.075443 4.6906176 28.236538 1 2526 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 94.92 -9.310131 4.892421 30.993763 1 2527 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 91.41 -9.975365 6.1542835 30.845274 1 2528 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 90.23 -7.95874 5.1053734 31.66895 1 2529 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 96.88 -11.055466 2.7701037 29.441914 1 2530 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 96.88 -12.377922 2.3640847 28.97747 1 2531 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 96.88 -13.415676 3.3803744 29.445007 1 2532 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 96.48 -13.390259 3.8223886 30.594664 1 2533 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 96.48 -12.736372 0.9529389 29.489815 1 2534 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 94.92 -14.164061 0.5931369 29.115402 1 2535 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 94.14 -11.761781 -0.07822484 28.933918 1 2536 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 97.66 -14.307026 3.7487786 28.54706 1 2537 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 97.27 -15.373907 4.6913223 28.863472 1 2538 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 97.66 -16.68414 4.1441946 28.306856 1 2539 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 97.66 -16.794353 3.8977098 27.10218 1 2540 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 97.27 -15.084005 6.0725613 28.281067 1 2541 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 97.27 -17.660233 3.9453177 29.188515 1 2542 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 97.27 -18.958683 3.4394016 28.76361 1 2543 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 97.27 -19.738735 4.5199795 28.011675 1 2544 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 97.27 -19.615135 5.7077513 28.324005 1 2545 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 97.27 -19.76186 2.964312 29.968777 1 2546 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 97.27 -20.534883 4.1199646 27.01847 1 2547 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 97.27 -21.304842 5.118838 26.274172 1 2548 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 97.27 -22.507092 5.617861 27.05581 1 2549 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 96.48 -23.1102 4.87214 27.839441 1 2550 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 97.27 -21.754475 4.3561707 25.023949 1 2551 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 96.48 -21.87202 2.944336 25.48754 1 2552 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 96.88 -20.737572 2.7537432 26.47418 1 2553 +ATOM N N . SER B0 2 114 . 114 SER B0 N 96.48 -22.8293 6.879236 26.852806 1 2554 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 96.09 -24.111795 7.402485 27.301142 1 2555 +ATOM C C . SER B0 2 114 . 114 SER B0 C 96.48 -25.084946 7.130866 26.165222 1 2556 +ATOM O O . SER B0 2 114 . 114 SER B0 O 96.48 -24.816502 7.5178733 25.014133 1 2557 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 94.92 -24.028917 8.895603 27.600388 1 2558 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 91.02 -23.093418 9.16345 28.646362 1 2559 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 96.09 -26.188213 6.4424524 26.458664 1 2560 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 96.09 -27.108078 5.995449 25.421732 1 2561 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 95.7 -28.383448 6.839263 25.434853 1 2562 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 94.92 -28.98977 7.063528 26.486073 1 2563 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 96.09 -27.453152 4.4988475 25.587202 1 2564 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 95.7 -28.31446 4.0174446 24.428665 1 2565 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 95.31 -26.174736 3.6697245 25.68839 1 2566 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 96.48 -28.784922 7.2909827 24.24178 1 2567 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 96.48 -29.998722 8.077429 24.068169 1 2568 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 96.88 -30.786348 7.5210314 22.894733 1 2569 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 96.88 -30.196625 7.01583 21.931131 1 2570 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 96.09 -29.669292 9.557892 23.807589 1 2571 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 94.53 -28.728054 10.166006 24.805674 1 2572 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 92.58 -27.357811 10.17255 24.579456 1 2573 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 92.19 -29.21462 10.752201 25.960888 1 2574 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 90.62 -26.489628 10.740333 25.500673 1 2575 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 90.62 -28.35386 11.323881 26.881634 1 2576 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 90.62 -26.988388 11.317863 26.647707 1 2577 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 96.09 -32.13132 7.613249 22.96547 1 2578 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 96.09 -32.95888 7.163927 21.853567 1 2579 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 95.7 -33.91008 8.293535 21.45486 1 2580 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 95.31 -34.42723 9.024201 22.305733 1 2581 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 96.48 -33.74993 5.8753533 22.204323 1 2582 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 94.92 -34.435673 5.305943 20.959461 1 2583 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 94.53 -34.749603 6.137415 23.333675 1 2584 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 94.53 -34.990234 3.890762 21.154617 1 2585 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 96.88 -34.099564 8.4644985 20.137333 1 2586 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 96.88 -34.952744 9.526722 19.609787 1 2587 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 96.88 -36.054405 8.9392185 18.734558 1 2588 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 96.88 -35.752056 8.264725 17.74237 1 2589 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 96.88 -34.13601 10.524978 18.780966 1 2590 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 96.88 -33.036575 11.207677 19.537708 1 2591 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 95.31 -31.74364 10.701944 19.530304 1 2592 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 94.92 -33.294464 12.369009 20.23743 1 2593 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 94.92 -30.73173 11.34374 20.220665 1 2594 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 95.31 -32.28578 13.012659 20.930466 1 2595 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 95.7 -31.000158 12.496996 20.922844 1 2596 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 96.48 -37.339268 9.189607 19.064209 1 2597 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 96.48 -38.423862 8.74168 18.187162 1 2598 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 96.88 -38.444916 9.55794 16.896446 1 2599 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 96.88 -37.851715 10.640835 16.833475 1 2600 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 95.7 -39.68622 9.006101 19.02471 1 2601 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 94.14 -39.19938 9.209328 20.425503 1 2602 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 95.7 -37.82463 9.800242 20.274513 1 2603 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 97.27 -39.120033 9.046664 15.84963 1 2604 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 97.27 -39.227814 9.845255 14.623201 1 2605 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 96.88 -40.057545 11.0955515 14.862913 1 2606 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 96.09 -40.970753 11.096561 15.695527 1 2607 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 96.88 -39.92473 8.891731 13.640768 1 2608 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 96.09 -40.65265 7.922943 14.503213 1 2609 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 96.88 -39.79103 7.7478724 15.720552 1 2610 +ATOM N N . SER B0 2 121 . 121 SER B0 N 96.88 -39.734745 12.155479 14.137582 1 2611 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 96.48 -40.482975 13.398707 14.274504 1 2612 +ATOM C C . SER B0 2 121 . 121 SER B0 C 96.09 -41.826225 13.292126 13.567024 1 2613 +ATOM O O . SER B0 2 121 . 121 SER B0 O 96.09 -41.989197 12.518227 12.619478 1 2614 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 96.09 -39.680485 14.563579 13.685534 1 2615 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 94.92 -39.5759 14.41736 12.275597 1 2616 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 96.09 -42.77341 14.070019 14.041404 1 2617 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 95.31 -44.075264 14.107147 13.380335 1 2618 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 96.09 -43.942352 14.605652 11.947032 1 2619 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 95.7 -44.668427 14.149184 11.060585 1 2620 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 94.14 -45.044052 15.006811 14.157974 1 2621 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 89.06 -45.503395 14.38559 15.461512 1 2622 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 85.94 -45.471928 13.145416 15.567815 1 2623 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 84.77 -45.893074 15.13732 16.37244 1 2624 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 96.88 -43.00618 15.519325 11.716202 1 2625 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 96.48 -42.79283 16.044971 10.37738 1 2626 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 96.48 -42.355057 14.943148 9.420522 1 2627 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 96.09 -42.829956 14.866201 8.287541 1 2628 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 96.09 -41.760437 17.177408 10.390345 1 2629 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 88.28 -41.513695 17.775864 9.005426 1 2630 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 83.59 -40.503242 18.897575 8.993798 1 2631 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 79.3 -40.047604 19.299976 10.089108 1 2632 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 78.52 -40.14673 19.380373 7.9076986 1 2633 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 97.27 -41.439644 14.077469 9.872737 1 2634 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 97.27 -40.972553 12.997404 9.009776 1 2635 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 97.27 -42.09093 12.007362 8.731243 1 2636 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 96.88 -42.211414 11.507259 7.614908 1 2637 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 96.88 -39.775402 12.266875 9.626254 1 2638 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 96.09 -39.230003 11.197446 8.686112 1 2639 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 96.88 -38.181076 10.312386 9.303812 1 2640 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 93.36 -38.12847 10.1546955 10.520601 1 2641 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 92.58 -37.340164 9.716639 8.463418 1 2642 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 97.66 -42.900917 11.7088585 9.735546 1 2643 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 96.88 -43.98339 10.746814 9.561754 1 2644 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 96.88 -44.951233 11.175265 8.464788 1 2645 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 96.48 -45.56421 10.324166 7.8135877 1 2646 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 96.88 -44.735428 10.546622 10.881038 1 2647 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 95.31 -43.96094 9.790184 11.960037 1 2648 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 93.36 -44.731476 9.797643 13.277656 1 2649 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 92.97 -43.667355 8.371892 11.508425 1 2650 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 96.88 -45.08204 12.487455 8.235962 1 2651 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 96.48 -45.934372 12.977476 7.1582627 1 2652 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 96.48 -45.43492 12.537817 5.7895737 1 2653 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 94.53 -46.217346 12.43203 4.84578 1 2654 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 95.31 -46.025543 14.505982 7.197933 1 2655 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 88.28 -46.717247 15.061509 8.429678 1 2656 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 83.59 -46.734127 16.587162 8.381866 1 2657 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 76.56 -47.410034 17.158611 9.613731 1 2658 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 70.31 -47.40683 18.646969 9.591459 1 2659 +ATOM N N . SER B0 2 127 . 127 SER B0 N 96.48 -44.123436 12.259125 5.6901646 1 2660 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 96.09 -43.538315 11.848309 4.418824 1 2661 +ATOM C C . SER B0 2 127 . 127 SER B0 C 96.09 -43.666992 10.35345 4.1820216 1 2662 +ATOM O O . SER B0 2 127 . 127 SER B0 O 94.53 -43.315926 9.873426 3.09858 1 2663 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 94.53 -42.07141 12.248516 4.3622293 1 2664 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 88.67 -41.30101 11.4733925 5.261485 1 2665 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 96.88 -44.178925 9.606983 5.153625 1 2666 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 96.48 -44.38871 8.179574 5.006379 1 2667 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 96.88 -43.27411 7.2952957 5.511042 1 2668 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 95.7 -43.342606 6.073639 5.3425007 1 2669 +ATOM N N . THR B0 2 129 . 129 THR B0 N 97.27 -42.254803 7.863154 6.1355524 1 2670 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 96.88 -41.132195 7.089122 6.6578617 1 2671 +ATOM C C . THR B0 2 129 . 129 THR B0 C 97.66 -40.86423 7.473629 8.104526 1 2672 +ATOM O O . THR B0 2 129 . 129 THR B0 O 96.88 -41.115555 8.611856 8.505397 1 2673 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 96.09 -39.871967 7.3133087 5.811805 1 2674 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 88.28 -40.139297 6.931484 4.4608183 1 2675 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 86.33 -38.707283 6.4786105 6.3372207 1 2676 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 97.66 -40.333954 6.5114064 8.864832 1 2677 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 98.05 -40.000885 6.747846 10.26169 1 2678 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 98.05 -38.55228 6.34262 10.513661 1 2679 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 97.66 -38.169685 5.204009 10.245468 1 2680 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 97.27 -40.939182 5.965135 11.177582 1 2681 +ATOM N N . SER B0 2 131 . 131 SER B0 N 98.05 -37.746613 7.281514 11.024195 1 2682 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 98.05 -36.36862 7.0048866 11.401405 1 2683 +ATOM C C . SER B0 2 131 . 131 SER B0 C 98.05 -36.239273 7.108148 12.915395 1 2684 +ATOM O O . SER B0 2 131 . 131 SER B0 O 98.05 -36.575897 8.144659 13.495337 1 2685 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 97.66 -35.40663 7.988563 10.731602 1 2686 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 95.7 -35.41387 7.8568664 9.328918 1 2687 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 98.05 -35.792454 6.0179543 13.521166 1 2688 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 98.05 -35.553394 5.9979095 14.959621 1 2689 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 98.05 -34.044262 6.016622 15.153839 1 2690 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 97.66 -33.326363 5.202343 14.557743 1 2691 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 98.05 -36.167053 4.748613 15.624825 1 2692 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 96.09 -36.18309 4.91105 17.135967 1 2693 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 95.31 -37.58809 4.498075 15.10236 1 2694 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 98.05 -33.556816 6.9331827 15.985928 1 2695 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 97.66 -32.12345 7.1149025 16.140594 1 2696 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 97.66 -31.678024 6.744758 17.551394 1 2697 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 97.27 -32.287655 7.1723766 18.542517 1 2698 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 98.05 -31.703678 8.566738 15.823959 1 2699 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 96.09 -30.216183 8.761969 16.075396 1 2700 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 96.09 -32.057938 8.905005 14.376003 1 2701 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 98.05 -30.608356 5.9401283 17.61605 1 2702 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 98.05 -29.984543 5.5830326 18.885489 1 2703 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 98.05 -28.586372 6.1777253 18.896011 1 2704 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 98.05 -27.801964 5.9552164 17.964367 1 2705 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 97.66 -29.926855 4.06721 19.048733 1 2706 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 95.31 -29.353525 3.4997263 20.654182 1 2707 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 97.66 -28.264973 6.9424953 19.942472 1 2708 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 98.05 -26.975422 7.6085906 20.060804 1 2709 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 97.66 -26.15704 6.9912853 21.187918 1 2710 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 97.66 -26.640938 6.8654766 22.317974 1 2711 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 97.66 -27.17654 9.11062 20.32948 1 2712 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 97.27 -25.939068 9.900469 20.756111 1 2713 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 95.31 -26.330776 11.30356 21.203169 1 2714 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 95.31 -24.905167 9.963932 19.635693 1 2715 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 98.05 -24.921019 6.58679 20.86018 1 2716 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 98.05 -23.955437 6.1207647 21.85155 1 2717 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 97.66 -22.882786 7.1899934 21.915392 1 2718 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 97.27 -22.126335 7.3823905 20.954983 1 2719 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 98.05 -23.343462 4.788804 21.424225 1 2720 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 97.66 -24.165237 3.5120206 21.561007 1 2721 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 96.48 -25.412586 3.5407777 20.701735 1 2722 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 95.7 -23.314667 2.2987638 21.22035 1 2723 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 98.05 -22.812504 7.900093 23.030666 1 2724 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 97.27 -21.963926 9.079823 23.113783 1 2725 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 97.66 -20.711742 8.870368 23.961761 1 2726 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 96.88 -20.78609 8.357589 25.086058 1 2727 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 96.88 -22.766218 10.260336 23.668823 1 2728 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 93.75 -22.22491 11.597034 23.228592 1 2729 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 87.89 -21.95678 11.819063 22.039831 1 2730 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 87.5 -22.080135 12.511068 24.156668 1 2731 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 97.66 -19.570536 9.281 23.40947 1 2732 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 97.66 -18.289661 9.3912735 24.10055 1 2733 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 97.66 -17.87825 8.101948 24.803555 1 2734 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 97.27 -17.773018 8.052231 26.031223 1 2735 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 97.27 -18.322186 10.558573 25.089388 1 2736 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 95.7 -18.52441 11.886127 24.400974 1 2737 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 88.67 -18.323818 12.020628 23.192022 1 2738 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 87.5 -18.911802 12.90752 25.163832 1 2739 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 97.66 -17.56934 7.0667553 24.01741 1 2740 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 98.05 -17.161701 5.788465 24.580605 1 2741 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 97.66 -15.803501 5.344371 24.035624 1 2742 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 97.66 -15.308297 5.872755 23.03676 1 2743 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 98.05 -18.214987 4.7032404 24.318977 1 2744 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 98.05 -18.492447 4.4485 22.862862 1 2745 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 96.88 -19.464733 5.1685686 22.1851 1 2746 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 96.48 -17.789406 3.4674563 22.174398 1 2747 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 96.88 -19.72667 4.92029 20.84562 1 2748 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 96.88 -18.047886 3.2171519 20.839588 1 2749 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 98.05 -19.018532 3.9415119 20.173786 1 2750 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 97.66 -15.206702 4.366612 24.716537 1 2751 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 97.66 -13.947976 3.753804 24.319742 1 2752 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 97.27 -13.851477 2.394392 24.982546 1 2753 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 97.27 -14.17733 2.2720766 26.159351 1 2754 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 97.27 -12.748869 4.6246376 24.709145 1 2755 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 96.48 -11.432648 4.08064 24.197914 1 2756 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 95.7 -10.721757 3.1279056 24.929783 1 2757 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 95.31 -10.935212 4.4673815 22.964516 1 2758 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 94.53 -9.552338 2.5906222 24.445679 1 2759 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 94.53 -9.761208 3.9293084 22.473972 1 2760 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 94.92 -9.0711975 2.991097 23.218176 1 2761 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 93.75 -7.9194736 2.4540622 22.728386 1 2762 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 96.48 -13.401363 1.35424 24.262608 1 2763 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 96.48 -12.930511 1.3196287 22.87439 1 2764 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 96.88 -14.059185 1.3883443 21.847218 1 2765 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 96.48 -15.228688 1.4695225 22.210754 1 2766 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 95.7 -12.205196 -0.024980526 22.801878 1 2767 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 94.53 -12.922741 -0.8818568 23.787907 1 2768 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 94.92 -13.278628 0.047588006 24.91607 1 2769 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 96.48 -13.676761 1.3752971 20.578075 1 2770 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 96.09 -14.611959 1.5966687 19.484695 1 2771 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 96.48 -15.646398 0.48262593 19.340946 1 2772 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 96.09 -16.774504 0.7255957 18.918903 1 2773 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 94.53 -13.841537 1.7644012 18.175838 1 2774 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 90.23 -14.680675 2.193797 16.986332 1 2775 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 87.5 -13.791874 2.3833523 15.775393 1 2776 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 83.98 -14.482477 2.9922462 14.637608 1 2777 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 80.86 -15.169737 2.3033655 13.736067 1 2778 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 77.34 -15.256371 0.9779527 13.834498 1 2779 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 77.34 -15.770973 2.9348884 12.742627 1 2780 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 96.48 -15.253134 -0.76189053 19.708796 1 2781 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 96.09 -16.13174 -1.9142755 19.534422 1 2782 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 96.48 -17.37934 -1.781925 20.402065 1 2783 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 96.09 -17.291363 -1.6498189 21.62276 1 2784 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 94.53 -15.404473 -3.2169156 19.875874 1 2785 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 87.11 -14.341703 -3.6147726 18.86121 1 2786 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 82.81 -13.105934 -2.745661 18.913273 1 2787 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 77.73 -12.445792 -2.5913062 17.865746 1 2788 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 77.73 -12.794313 -2.208174 19.998325 1 2789 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 97.27 -18.527061 -1.8004421 19.759327 1 2790 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 97.66 -19.810236 -1.7146223 20.450247 1 2791 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 97.66 -20.856583 -2.447135 19.631393 1 2792 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 96.88 -20.772657 -2.5067372 18.407597 1 2793 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 97.66 -20.235622 -0.2632321 20.67929 1 2794 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 98.44 -21.836155 -3.0266056 20.329382 1 2795 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 98.05 -22.911034 -3.7533455 19.66062 1 2796 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 98.05 -24.235712 -3.050805 19.904255 1 2797 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 98.05 -24.581581 -2.763808 21.061136 1 2798 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 97.66 -22.980259 -5.201066 20.169712 1 2799 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 92.19 -24.106995 -6.026416 19.574978 1 2800 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 87.89 -24.127258 -7.4259586 20.191362 1 2801 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 80.47 -25.289848 -8.248938 19.656702 1 2802 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 73.83 -25.334877 -9.586052 20.292503 1 2803 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 98.44 -24.953451 -2.7569041 18.82057 1 2804 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 98.44 -26.259514 -2.1141715 18.90884 1 2805 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 98.05 -27.294914 -3.0419586 18.288898 1 2806 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 98.05 -27.158392 -3.4524412 17.132896 1 2807 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 98.05 -26.28323 -0.7533811 18.188057 1 2808 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 95.7 -27.678825 -0.13696542 18.276772 1 2809 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 94.53 -25.244343 0.19064717 18.79127 1 2810 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 98.44 -28.307882 -3.391741 19.06889 1 2811 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 98.05 -29.386887 -4.2397566 18.571741 1 2812 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 98.44 -30.716387 -3.5098805 18.727005 1 2813 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 98.44 -30.995682 -2.949011 19.793236 1 2814 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 97.66 -29.429798 -5.5755157 19.311 1 2815 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 88.67 -28.34731 -6.5428276 18.899221 1 2816 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 86.33 -28.588425 -7.93382 19.459526 1 2817 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 80.08 -28.65723 -8.122286 20.671127 1 2818 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 77.73 -28.736292 -8.909035 18.575993 1 2819 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 98.44 -31.501093 -3.534831 17.674246 1 2820 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 98.44 -32.816956 -2.9238477 17.69902 1 2821 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 98.05 -33.879025 -3.9803276 17.971783 1 2822 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 98.05 -33.83409 -5.086998 17.421703 1 2823 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 98.44 -33.118027 -2.223439 16.364069 1 2824 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 98.44 -32.42031 -0.91583604 16.183815 1 2825 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 98.05 -31.291039 -0.68736 15.460836 1 2826 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 98.44 -32.819096 0.3476972 16.725052 1 2827 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 97.66 -30.954388 0.64108074 15.510765 1 2828 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 98.05 -31.875177 1.3003752 16.282513 1 2829 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 98.05 -33.881584 0.7625691 17.53713 1 2830 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 98.05 -31.963074 2.649004 16.626106 1 2831 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 97.66 -33.965828 2.102309 17.87809 1 2832 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 98.05 -33.011353 3.026674 17.42704 1 2833 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 98.44 -34.82807 -3.6371179 18.810282 1 2834 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 98.44 -35.958294 -4.517723 19.1095 1 2835 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 98.44 -37.254074 -3.7340965 18.948383 1 2836 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 97.66 -37.3919 -2.6356087 19.49915 1 2837 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 98.05 -35.858547 -5.087714 20.532505 1 2838 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 94.53 -34.682076 -6.0161467 20.748852 1 2839 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 91.8 -34.678246 -6.542797 22.187756 1 2840 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 85.94 -33.508698 -7.48831 22.405888 1 2841 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 80.08 -33.474297 -7.9968815 23.801023 1 2842 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 98.05 -38.180206 -4.3119893 18.193695 1 2843 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 98.05 -39.496193 -3.714935 17.994339 1 2844 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 98.05 -40.51496 -4.6913695 18.56182 1 2845 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 97.66 -40.68747 -5.795948 18.031092 1 2846 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 97.66 -39.775475 -3.4386306 16.508347 1 2847 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 95.7 -41.17233 -2.8480043 16.34314 1 2848 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 95.31 -38.719753 -2.4907134 15.940105 1 2849 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 97.27 -41.193855 -4.298586 19.649923 1 2850 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 97.27 -42.0765 -5.1971397 20.390139 1 2851 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 97.27 -41.359375 -6.5101233 20.69445 1 2852 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 96.48 -41.899265 -7.6018443 20.498165 1 2853 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 96.88 -43.383923 -5.4522014 19.623472 1 2854 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 96.48 -44.318443 -4.2531967 19.651201 1 2855 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 94.53 -44.172066 -3.3892972 20.535969 1 2856 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 94.14 -45.21426 -4.1738715 18.783468 1 2857 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 96.88 -40.112785 -6.3817787 21.130192 1 2858 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 96.88 -39.240944 -7.4802523 21.550894 1 2859 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 97.27 -38.744743 -8.359894 20.408741 1 2860 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 95.7 -38.093582 -9.377636 20.661808 1 2861 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 95.7 -39.921783 -8.347388 22.612833 1 2862 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 89.06 -40.113686 -7.611274 23.92721 1 2863 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 82.42 -39.213432 -6.8984804 24.372944 1 2864 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 80.47 -41.27799 -7.785696 24.548904 1 2865 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 97.66 -39.019745 -7.9851007 19.168982 1 2866 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 97.66 -38.530327 -8.734787 18.0175 1 2867 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 97.66 -37.23103 -8.106609 17.50765 1 2868 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 97.27 -37.196022 -6.91675 17.185328 1 2869 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 96.88 -39.575382 -8.76746 16.910461 1 2870 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 97.66 -36.16294 -8.923128 17.431187 1 2871 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 97.66 -34.867157 -8.435725 16.963005 1 2872 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 97.66 -34.947704 -8.025326 15.491778 1 2873 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 97.27 -35.487183 -8.75964 14.663862 1 2874 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 96.88 -33.796455 -9.514642 17.144215 1 2875 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 92.97 -33.40055 -9.845737 18.583801 1 2876 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 89.84 -32.43406 -11.024684 18.606781 1 2877 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 89.06 -32.77819 -8.636126 19.264645 1 2878 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 97.66 -34.379906 -6.8712816 15.197395 1 2879 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 97.27 -34.381287 -6.3507233 13.839798 1 2880 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 96.88 -33.077423 -6.6734 13.126123 1 2881 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 96.09 -32.025497 -6.8160954 13.763288 1 2882 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 96.88 -34.592197 -4.831083 13.83709 1 2883 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 96.09 -35.853325 -4.4013324 14.543894 1 2884 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 96.09 -37.09961 -4.9057426 13.843456 1 2885 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 92.19 -37.36365 -4.5473666 12.711943 1 2886 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 91.02 -37.850998 -5.7780533 14.491081 1 2887 +ATOM N N . SER B0 2 156 . 156 SER B0 N 96.09 -33.163414 -6.798902 11.808544 1 2888 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 95.31 -31.971638 -7.0062675 11.001154 1 2889 +ATOM C C . SER B0 2 156 . 156 SER B0 C 95.31 -32.209824 -6.453169 9.598382 1 2890 +ATOM O O . SER B0 2 156 . 156 SER B0 O 93.36 -33.30664 -6.577785 9.053576 1 2891 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 93.75 -31.594053 -8.482441 10.94114 1 2892 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 86.72 -32.590992 -9.240408 10.287036 1 2893 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 95.7 -31.181103 -5.8388166 9.031791 1 2894 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 95.31 -31.24231 -5.333347 7.675003 1 2895 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 95.7 -31.943901 -4.009245 7.4924994 1 2896 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 94.14 -32.061333 -3.5317507 6.3535337 1 2897 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 96.88 -32.41617 -3.414722 8.565384 1 2898 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 96.88 -33.135384 -2.1563118 8.443486 1 2899 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 97.27 -32.540558 -1.0318605 9.2881775 1 2900 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 96.88 -33.23761 -0.07142374 9.630233 1 2901 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 95.7 -34.62367 -2.3408823 8.782824 1 2902 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 95.7 -34.8487 -2.9720764 10.150702 1 2903 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 93.36 -33.895973 -3.2956583 10.874916 1 2904 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 92.58 -36.11113 -3.162115 10.517486 1 2905 +ATOM N N . SER B0 2 159 . 159 SER B0 N 98.05 -31.26214 -1.1482911 9.591734 1 2906 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 97.66 -30.586319 -0.09174785 10.332065 1 2907 +ATOM C C . SER B0 2 159 . 159 SER B0 C 97.66 -29.194553 0.13663867 9.766739 1 2908 +ATOM O O . SER B0 2 159 . 159 SER B0 O 97.27 -28.606459 -0.75223315 9.144818 1 2909 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 97.27 -30.508446 -0.43528926 11.826028 1 2910 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 95.7 -29.722788 -1.5860949 12.050578 1 2911 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 98.05 -28.691885 1.3315024 9.965088 1 2912 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 98.05 -27.3491 1.6909525 9.523751 1 2913 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 98.05 -26.636126 2.4583588 10.627785 1 2914 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 97.66 -27.251553 3.2717552 11.326445 1 2915 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 97.27 -27.398802 2.5376024 8.250879 1 2916 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 92.97 -27.839916 1.7783115 7.019099 1 2917 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 92.58 -27.732819 2.616356 5.764451 1 2918 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 86.72 -28.450912 3.6015425 5.6052313 1 2919 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 85.55 -26.820023 2.2417817 4.8726573 1 2920 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 98.05 -25.32441 2.1921625 10.7689 1 2921 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 97.66 -24.51736 2.8466196 11.790016 1 2922 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 97.66 -23.518661 3.8144321 11.166952 1 2923 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 97.27 -23.075134 3.6326702 10.034822 1 2924 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 96.88 -23.749672 1.8105557 12.619453 1 2925 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 94.53 -24.628778 0.9627951 13.518765 1 2926 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 96.09 -23.816414 0.018338667 14.39374 1 2927 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 94.14 -24.41611 -0.7045535 15.211578 1 2928 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 94.53 -22.566803 -0.0024018208 14.271622 1 2929 +ATOM N N . SER B0 2 162 . 162 SER B0 N 98.05 -23.172623 4.8219376 11.932503 1 2930 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 97.66 -22.127037 5.762806 11.556462 1 2931 +ATOM C C . SER B0 2 162 . 162 SER B0 C 97.66 -21.337563 6.111711 12.81259 1 2932 +ATOM O O . SER B0 2 162 . 162 SER B0 O 98.05 -21.929245 6.3524647 13.870664 1 2933 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 96.88 -22.73102 7.02759 10.9342 1 2934 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 95.31 -21.71759 7.9200993 10.501166 1 2935 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 96.48 -20.014591 6.0978613 12.699978 1 2936 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 96.09 -19.147373 6.3488636 13.8442545 1 2937 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 96.48 -18.232662 7.53306 13.547253 1 2938 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 95.7 -17.694046 7.6524363 12.446582 1 2939 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 96.09 -18.300835 5.107973 14.186739 1 2940 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 94.53 -17.51941 5.325417 15.472326 1 2941 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 94.14 -19.186865 3.877049 14.311719 1 2942 +ATOM N N . THR B0 2 164 . 164 THR B0 N 95.7 -18.04682 8.384496 14.543946 1 2943 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 96.09 -17.142088 9.517038 14.3862915 1 2944 +ATOM C C . THR B0 2 164 . 164 THR B0 C 95.7 -15.692875 9.05598 14.443024 1 2945 +ATOM O O . THR B0 2 164 . 164 THR B0 O 94.92 -15.390347 7.957753 14.916923 1 2946 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 96.48 -17.362158 10.56529 15.495675 1 2947 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 96.48 -17.156586 9.943527 16.771961 1 2948 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 96.09 -18.757751 11.155137 15.438743 1 2949 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 94.92 -14.794648 9.895564 13.9479065 1 2950 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 94.14 -13.373095 9.670076 14.145176 1 2951 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 95.31 -13.056381 9.886497 15.617954 1 2952 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 94.92 -13.806511 10.561021 16.338581 1 2953 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 92.19 -12.551783 10.621349 13.276991 1 2954 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 84.77 -12.650114 10.346543 11.781467 1 2955 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 79.3 -12.0487795 9.013546 11.413128 1 2956 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 74.22 -12.776214 8.158658 10.872005 1 2957 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 72.66 -10.84141 8.813856 11.676163 1 2958 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 94.14 -11.960596 9.306973 16.061504 1 2959 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 94.14 -11.574982 9.440941 17.458122 1 2960 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 93.36 -11.443216 10.912809 17.82742 1 2961 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 92.58 -10.787542 11.688484 17.131062 1 2962 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 94.14 -10.266595 8.694023 17.70824 1 2963 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 93.36 -9.974442 8.462159 19.177921 1 2964 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 93.75 -8.812406 7.514121 19.391233 1 2965 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 91.02 -7.9049706 7.4306226 18.562107 1 2966 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 90.62 -8.82986 6.7916994 20.504536 1 2967 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 93.75 -12.080383 11.307847 18.926966 1 2968 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 93.36 -12.088793 12.704899 19.354275 1 2969 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 92.97 -10.673816 13.182905 19.67235 1 2970 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 92.19 -9.900121 12.474752 20.320951 1 2971 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 92.19 -12.994481 12.871823 20.573675 1 2972 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 92.19 -13.195377 14.32333 20.958912 1 2973 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 90.62 -12.461435 14.818065 21.838182 1 2974 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 89.06 -14.092925 14.965356 20.38321 1 2975 +ATOM N N . SER B0 2 168 . 168 SER B0 N 89.06 -10.336065 14.3691025 19.20108 1 2976 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 87.89 -9.0028105 14.914178 19.380615 1 2977 +ATOM C C . SER B0 2 168 . 168 SER B0 C 88.67 -8.716135 15.337059 20.817644 1 2978 +ATOM O O . SER B0 2 168 . 168 SER B0 O 87.11 -7.552081 15.512628 21.18221 1 2979 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 85.94 -8.787572 16.104725 18.44431 1 2980 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 81.64 -9.693635 17.152039 18.73791 1 2981 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 90.62 -9.749538 15.510763 21.637142 1 2982 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 89.84 -9.568226 15.959963 23.011185 1 2983 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 90.62 -9.591795 14.816792 24.010437 1 2984 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 88.28 -8.660885 14.672527 24.80682 1 2985 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 87.5 -10.630428 17.001228 23.38018 1 2986 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 81.64 -10.503614 18.32065 22.640186 1 2987 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 75.78 -11.553245 19.318466 23.110847 1 2988 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 69.92 -11.4135685 20.6463 22.379013 1 2989 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 63.28 -12.4382105 21.617744 22.841347 1 2990 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 94.14 -10.660305 13.997259 23.982746 1 2991 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 93.75 -10.781252 12.929237 24.972391 1 2992 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 94.14 -10.588604 11.532986 24.393677 1 2993 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 92.97 -10.706369 10.548075 25.127998 1 2994 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 92.97 -12.119408 13.023304 25.711294 1 2995 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 92.58 -13.329054 12.796407 24.819824 1 2996 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 91.02 -13.154625 12.353003 23.670752 1 2997 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 89.45 -14.461534 13.063093 25.282549 1 2998 +ATOM N N . SER B0 2 171 . 171 SER B0 N 94.53 -10.27394 11.427544 23.111 1 2999 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 94.92 -9.9621315 10.168769 22.433338 1 3000 +ATOM C C . SER B0 2 171 . 171 SER B0 C 95.7 -11.112603 9.161064 22.452324 1 3001 +ATOM O O . SER B0 2 171 . 171 SER B0 O 95.31 -10.882536 7.953287 22.319992 1 3002 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 93.75 -8.702843 9.52942 23.031643 1 3003 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 91.41 -7.6025314 10.418915 22.974396 1 3004 +ATOM N N . THR B0 2 172 . 172 THR B0 N 96.88 -12.34552 9.6300125 22.59342 1 3005 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 97.27 -13.508369 8.749375 22.582031 1 3006 +ATOM C C . THR B0 2 172 . 172 THR B0 C 96.88 -14.151684 8.716522 21.19727 1 3007 +ATOM O O . THR B0 2 172 . 172 THR B0 O 96.88 -13.80363 9.4958935 20.30875 1 3008 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 97.27 -14.573568 9.186432 23.610935 1 3009 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 96.48 -15.048699 10.49047 23.267845 1 3010 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 96.09 -14.0177145 9.178887 25.025455 1 3011 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 97.66 -15.0931015 7.7823896 21.046007 1 3012 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 97.66 -15.898607 7.661503 19.838396 1 3013 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 98.05 -17.360096 7.9328837 20.172052 1 3014 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 97.66 -17.781322 7.8080025 21.321747 1 3015 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 97.66 -15.775163 6.2578793 19.233618 1 3016 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 96.88 -14.376627 5.868124 18.832945 1 3017 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 96.09 -13.537405 5.207431 19.721409 1 3018 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 96.09 -13.896019 6.1546707 17.566788 1 3019 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 95.7 -12.252747 4.847227 19.35316 1 3020 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 95.7 -12.613234 5.7957234 17.191132 1 3021 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 95.7 -11.797413 5.1399865 18.09326 1 3022 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 94.92 -10.531902 4.7842507 17.732338 1 3023 +ATOM N N . SER B0 2 174 . 174 SER B0 N 98.44 -18.105011 8.279768 19.153543 1 3024 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 98.44 -19.558079 8.362091 19.262062 1 3025 +ATOM C C . SER B0 2 174 . 174 SER B0 C 98.44 -20.159824 7.634698 18.069038 1 3026 +ATOM O O . SER B0 2 174 . 174 SER B0 O 98.05 -19.566921 7.60468 16.985949 1 3027 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 98.44 -20.038944 9.811433 19.316452 1 3028 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 97.27 -19.624779 10.444969 20.520355 1 3029 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 98.44 -21.325314 7.027749 18.291441 1 3030 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 98.44 -21.94569 6.2126155 17.25365 1 3031 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 98.44 -23.427265 6.533799 17.149147 1 3032 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 98.44 -24.09755 6.7380857 18.172054 1 3033 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 98.44 -21.74974 4.7250204 17.577248 1 3034 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 97.66 -22.31026 3.670424 16.62967 1 3035 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 96.09 -21.466375 2.4012678 16.697042 1 3036 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 96.09 -23.773283 3.3460443 16.929989 1 3037 +ATOM N N . SER B0 2 176 . 176 SER B0 N 98.83 -23.909359 6.5768023 15.917725 1 3038 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 98.44 -25.323742 6.768002 15.654199 1 3039 +ATOM C C . SER B0 2 176 . 176 SER B0 C 98.83 -25.849976 5.5603905 14.892029 1 3040 +ATOM O O . SER B0 2 176 . 176 SER B0 O 98.05 -25.238144 5.123953 13.909494 1 3041 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 97.66 -25.556942 8.040137 14.839254 1 3042 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 95.31 -26.897835 8.1542425 14.444928 1 3043 +ATOM N N . SER B0 2 177 . 177 SER B0 N 98.44 -26.956207 4.9925036 15.360821 1 3044 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 98.44 -27.621752 3.8950505 14.662407 1 3045 +ATOM C C . SER B0 2 177 . 177 SER B0 C 98.44 -29.034561 4.3555403 14.315139 1 3046 +ATOM O O . SER B0 2 177 . 177 SER B0 O 98.44 -29.777948 4.7921343 15.199396 1 3047 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 98.44 -27.666412 2.6363976 15.523964 1 3048 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 96.88 -28.31388 1.5703068 14.836779 1 3049 +ATOM N N . THR B0 2 178 . 178 THR B0 N 98.44 -29.382462 4.2425327 13.038706 1 3050 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 98.44 -30.69133 4.695891 12.590898 1 3051 +ATOM C C . THR B0 2 178 . 178 THR B0 C 98.44 -31.510397 3.5104809 12.0883465 1 3052 +ATOM O O . THR B0 2 178 . 178 THR B0 O 98.44 -31.114285 2.829289 11.144701 1 3053 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 98.44 -30.57488 5.7498503 11.478399 1 3054 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 95.31 -29.816902 6.864282 11.963856 1 3055 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 95.7 -31.958487 6.2398896 11.053162 1 3056 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 98.44 -32.645096 3.2820892 12.739391 1 3057 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 98.44 -33.596764 2.2556415 12.32032 1 3058 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 98.44 -34.627266 2.9197607 11.414278 1 3059 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 98.05 -35.231773 3.925469 11.796495 1 3060 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 98.44 -34.292522 1.6453795 13.5392685 1 3061 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 97.66 -35.395695 0.60729605 13.268198 1 3062 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 95.31 -36.23187 0.37978998 14.533632 1 3063 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 94.92 -34.792862 -0.6925078 12.775929 1 3064 +ATOM N N . THR B0 2 180 . 180 THR B0 N 98.05 -34.80976 2.3652577 10.2122345 1 3065 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 97.66 -35.7397 2.9655406 9.259161 1 3066 +ATOM C C . THR B0 2 180 . 180 THR B0 C 98.05 -36.90043 2.0166712 8.972091 1 3067 +ATOM O O . THR B0 2 180 . 180 THR B0 O 97.27 -36.697365 0.8601726 8.61385 1 3068 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 97.27 -35.031414 3.331586 7.9471593 1 3069 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 91.02 -33.965855 4.241843 8.225002 1 3070 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 90.23 -36.0039 3.979296 6.966103 1 3071 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 97.66 -38.115326 2.5179596 9.141272 1 3072 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 97.66 -39.34228 1.7746478 8.873133 1 3073 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 97.66 -40.28701 2.6445074 8.05905 1 3074 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 96.88 -40.182392 3.873872 8.079493 1 3075 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 97.27 -40.048958 1.3840687 10.173623 1 3076 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 94.53 -39.26899 0.5980755 11.221631 1 3077 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 92.19 -40.073185 0.52929205 12.513735 1 3078 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 91.41 -38.94262 -0.78812134 10.702789 1 3079 +ATOM N N . SER B0 2 182 . 182 SER B0 N 97.66 -41.21127 1.9901497 7.353694 1 3080 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 97.27 -42.27803 2.7546012 6.731513 1 3081 +ATOM C C . SER B0 2 182 . 182 SER B0 C 97.66 -43.191048 3.2800567 7.832502 1 3082 +ATOM O O . SER B0 2 182 . 182 SER B0 O 96.88 -43.23462 2.7233853 8.938176 1 3083 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 96.09 -43.07366 1.8838242 5.752947 1 3084 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 94.14 -43.798546 0.8891978 6.458062 1 3085 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 97.27 -43.917896 4.337915 7.539951 1 3086 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 97.27 -44.84151 4.872325 8.536312 1 3087 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 97.27 -45.85817 3.8185802 8.950621 1 3088 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 96.88 -46.184387 3.6770248 10.132279 1 3089 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 96.48 -45.568443 6.1102667 7.9936333 1 3090 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 94.53 -46.61109 6.678644 8.945864 1 3091 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 92.97 -47.347916 7.8567686 8.312843 1 3092 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 89.06 -48.424446 8.393251 9.251202 1 3093 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 83.98 -49.156002 9.534932 8.657663 1 3094 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 97.27 -46.336517 3.043233 7.9619083 1 3095 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 96.88 -47.32318 1.9993001 8.236715 1 3096 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 97.27 -46.77603 0.9543483 9.196379 1 3097 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 96.48 -47.45628 0.5669263 10.150471 1 3098 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 96.48 -47.77509 1.3478119 6.9329467 1 3099 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 97.27 -45.54213 0.50150067 8.943798 1 3100 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 97.27 -44.932865 -0.49244264 9.828986 1 3101 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 97.66 -44.652958 0.09682629 11.203403 1 3102 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 96.88 -44.81161 -0.5914863 12.20919 1 3103 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 96.48 -43.633698 -1.0334799 9.219597 1 3104 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 92.19 -43.88875 -2.0387106 8.111771 1 3105 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 89.84 -45.021492 -2.5744898 8.034384 1 3106 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 88.28 -42.95488 -2.2906835 7.3158083 1 3107 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 97.27 -44.216652 1.3429093 11.230593 1 3108 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 97.27 -43.924335 1.9925251 12.509274 1 3109 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 97.27 -45.166103 2.0682635 13.392101 1 3110 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 97.27 -45.09317 1.8432974 14.604032 1 3111 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 97.66 -43.366364 3.3982759 12.265045 1 3112 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 97.27 -43.155125 4.192693 13.537848 1 3113 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 96.09 -43.966797 5.284806 13.840392 1 3114 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 95.7 -42.133797 3.861279 14.426793 1 3115 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 95.31 -43.769478 6.0154276 14.993057 1 3116 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 96.09 -41.936226 4.588463 15.586156 1 3117 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 96.88 -42.752945 5.6633453 15.867901 1 3118 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 96.48 -42.561356 6.390853 17.016909 1 3119 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 97.27 -46.3154 2.3450656 12.774017 1 3120 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 96.88 -47.55336 2.5003834 13.52553 1 3121 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 97.27 -48.21473 1.1641092 13.88118 1 3122 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 96.48 -49.233017 1.1522875 14.572212 1 3123 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 96.48 -48.530556 3.3897643 12.74988 1 3124 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 93.36 -48.025234 4.826271 12.645012 1 3125 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 90.62 -49.00154 5.768755 11.97341 1 3126 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 86.72 -48.8435 6.9989653 12.134478 1 3127 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 86.72 -49.92272 5.2863283 11.277387 1 3128 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 96.88 -47.64165 0.055820808 13.4168625 1 3129 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 96.48 -48.1471 -1.2679265 13.773513 1 3130 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 96.88 -47.59475 -1.7588564 15.100914 1 3131 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 95.7 -48.082287 -2.7581892 15.642185 1 3132 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 96.48 -47.80271 -2.2856164 12.681025 1 3133 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 92.58 -48.568764 -2.0997486 11.391323 1 3134 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 88.67 -48.13726 -3.1541224 10.373761 1 3135 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 83.2 -48.867847 -2.9500217 9.061571 1 3136 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 77.34 -48.420418 -3.9228883 8.041236 1 3137 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 96.88 -46.5751 -1.0997486 15.603697 1 3138 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 96.88 -45.902588 -1.5644919 16.812513 1 3139 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 96.88 -45.840614 -0.47078776 17.858238 1 3140 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 96.48 -46.034405 0.71305776 17.56245 1 3141 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 96.48 -44.491844 -2.0644832 16.472172 1 3142 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 96.09 -44.49917 -3.1051393 15.407036 1 3143 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 88.28 -44.783516 -4.4341273 15.668974 1 3144 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 87.5 -44.27652 -3.0227766 14.074493 1 3145 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 89.45 -44.739796 -5.11064 14.5327425 1 3146 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 90.62 -44.426353 -4.281587 13.553711 1 3147 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 96.88 -45.527565 -0.8648337 19.085308 1 3148 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 96.88 -45.56424 0.0596153 20.207127 1 3149 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 96.88 -44.192078 0.33354068 20.828262 1 3150 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 96.48 -43.786224 1.4944744 20.94114 1 3151 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 95.7 -46.513718 -0.45623887 21.287136 1 3152 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 91.8 -46.629753 0.46482342 22.502361 1 3153 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 87.89 -47.623596 -0.101879254 23.511225 1 3154 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 83.2 -47.721188 0.80276525 24.745811 1 3155 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 78.12 -48.66062 0.25256252 25.743923 1 3156 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 97.27 -43.46496 -0.72311467 21.211765 1 3157 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 97.27 -42.216232 -0.55659413 21.946735 1 3158 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 98.05 -41.017654 -0.59426194 20.999147 1 3159 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 97.66 -40.810867 -1.5817754 20.279224 1 3160 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 96.88 -42.063183 -1.6346111 23.039484 1 3161 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 94.53 -40.79348 -1.3990254 23.844345 1 3162 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 93.75 -43.283325 -1.6407024 23.957775 1 3163 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 97.66 -40.232395 0.4668312 21.028812 1 3164 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 97.66 -39.014732 0.561401 20.236439 1 3165 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 97.27 -37.830025 0.6586921 21.184788 1 3166 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 96.88 -37.77558 1.5632946 22.02401 1 3167 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 97.66 -39.07551 1.7676452 19.290628 1 3168 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 97.66 -40.08267 1.5556357 18.189217 1 3169 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 96.88 -41.42652 1.8181598 18.403156 1 3170 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 96.48 -39.694168 1.0419846 16.962086 1 3171 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 96.48 -42.366135 1.5818679 17.408344 1 3172 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 96.48 -40.626625 0.809257 15.963381 1 3173 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 97.27 -41.9588 1.0771477 16.195671 1 3174 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 96.48 -42.87941 0.83207333 15.217579 1 3175 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 98.05 -36.90042 -0.28311604 21.042418 1 3176 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 97.66 -35.791126 -0.36659068 21.979614 1 3177 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 98.05 -34.45334 -0.51541364 21.26658 1 3178 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 97.66 -34.35045 -1.1879458 20.241116 1 3179 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 97.27 -35.998367 -1.5274818 22.946945 1 3180 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 97.66 -33.44331 0.1558914 21.816795 1 3181 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 97.66 -32.066795 0.066143334 21.35483 1 3182 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 98.05 -31.2575 -0.54540336 22.488308 1 3183 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 97.27 -31.174328 0.02978735 23.5802 1 3184 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 96.88 -31.539865 1.4522051 21.002987 1 3185 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 92.97 -29.805525 1.5236665 20.592016 1 3186 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 98.05 -30.660559 -1.7470726 22.26044 1 3187 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 98.44 -29.872295 -2.431047 23.279266 1 3188 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 98.05 -28.39201 -2.3127513 22.942783 1 3189 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 98.05 -27.9642 -2.6703193 21.837124 1 3190 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 97.66 -30.275831 -3.9041739 23.375006 1 3191 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 94.14 -29.577824 -4.655962 24.496258 1 3192 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 92.58 -29.978394 -6.1192865 24.547237 1 3193 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 89.06 -30.802692 -6.4909716 25.404686 1 3194 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 87.89 -29.466728 -6.884039 23.700632 1 3195 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 98.05 -27.619823 -1.8230232 23.89008 1 3196 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 98.44 -26.210964 -1.5444851 23.671192 1 3197 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 98.05 -25.342852 -2.4383821 24.54246 1 3198 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 97.66 -25.556927 -2.534078 25.757408 1 3199 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 98.44 -25.890148 -0.06321077 23.95359 1 3200 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 95.31 -24.389503 0.19007836 23.836502 1 3201 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 94.92 -26.66601 0.8363286 23.000004 1 3202 +ATOM N N . THR B0 2 197 . 197 THR B0 N 98.05 -24.353561 -3.0789056 23.896603 1 3203 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 98.05 -23.36602 -3.87836 24.598877 1 3204 +ATOM C C . THR B0 2 197 . 197 THR B0 C 98.44 -21.995417 -3.243775 24.370014 1 3205 +ATOM O O . THR B0 2 197 . 197 THR B0 O 98.05 -21.625744 -2.9487953 23.235939 1 3206 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 97.66 -23.364517 -5.330293 24.10584 1 3207 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 94.14 -24.67403 -5.8872285 24.270123 1 3208 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 93.75 -22.35801 -6.17496 24.85897 1 3209 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 97.66 -21.253946 -3.043274 25.445713 1 3210 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 98.05 -19.944218 -2.4055705 25.37149 1 3211 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 97.66 -19.09499 -2.8393102 26.55917 1 3212 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 97.27 -19.630085 -3.1462517 27.630455 1 3213 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 97.66 -20.077568 -0.87778234 25.346394 1 3214 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 98.05 -18.78887 -0.16414495 25.146574 1 3215 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 91.8 -18.04734 0.34720808 26.195795 1 3216 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 92.19 -18.105476 0.13589802 24.020407 1 3217 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 92.97 -16.96126 0.9186076 25.711075 1 3218 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 94.14 -16.966698 0.81141084 24.40103 1 3219 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 97.66 -17.787277 -2.8689976 26.365608 1 3220 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 97.27 -16.859207 -3.30902 27.399384 1 3221 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 97.27 -17.013866 -2.506554 28.694439 1 3222 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 96.88 -16.810162 -3.0326347 29.790134 1 3223 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 96.88 -15.424422 -3.2060761 26.88187 1 3224 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 92.19 -14.373932 -3.654745 27.890987 1 3225 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 89.45 -12.9603 -3.486299 27.358074 1 3226 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 83.98 -12.759968 -3.3461642 26.148037 1 3227 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 81.64 -11.976303 -3.505217 28.250404 1 3228 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 97.66 -17.359694 -1.2406739 28.56303 1 3229 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 97.27 -17.51345 -0.37627554 29.721628 1 3230 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 97.66 -18.814363 -0.557961 30.476189 1 3231 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 96.48 -19.021824 0.075533584 31.513245 1 3232 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 97.27 -19.69633 -1.4330251 29.974957 1 3233 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 97.27 -20.975048 -1.7018771 30.61551 1 3234 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 97.27 -20.954014 -3.0912 31.24073 1 3235 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 96.48 -20.590164 -4.062752 30.575905 1 3236 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 97.27 -22.118141 -1.6086798 29.600292 1 3237 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 96.88 -22.30479 -0.26048106 28.896126 1 3238 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 95.7 -23.308819 -0.4017701 27.755314 1 3239 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 94.92 -22.750458 0.8071544 29.879265 1 3240 +ATOM N N . SER B0 2 202 . 202 SER B0 N 96.88 -21.338697 -3.1917007 32.4974 1 3241 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 96.48 -21.353218 -4.4830523 33.179962 1 3242 +ATOM C C . SER B0 2 202 . 202 SER B0 C 96.88 -22.411541 -5.4085064 32.59926 1 3243 +ATOM O O . SER B0 2 202 . 202 SER B0 O 95.31 -22.265484 -6.635092 32.669525 1 3244 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 95.31 -21.597885 -4.288227 34.67536 1 3245 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 89.06 -22.824966 -3.6324143 34.920616 1 3246 +ATOM N N . SER B0 2 203 . 203 SER B0 N 97.27 -23.458975 -4.8417435 32.041756 1 3247 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 97.27 -24.507576 -5.5930448 31.367619 1 3248 +ATOM C C . SER B0 2 203 . 203 SER B0 C 97.66 -25.106537 -4.7168193 30.279217 1 3249 +ATOM O O . SER B0 2 203 . 203 SER B0 O 96.48 -24.961918 -3.490676 30.315636 1 3250 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 96.48 -25.594116 -6.037749 32.354053 1 3251 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 89.45 -26.216988 -4.922269 32.96644 1 3252 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 97.27 -25.739746 -5.3236694 29.272722 1 3253 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 97.27 -26.320549 -4.516471 28.198786 1 3254 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 97.27 -27.286026 -3.4648514 28.725187 1 3255 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 96.88 -28.043404 -3.717937 29.661268 1 3256 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 96.88 -27.030422 -5.5523243 27.326538 1 3257 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 95.31 -26.285831 -6.820923 27.568233 1 3258 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 96.48 -25.900349 -6.7614303 29.01921 1 3259 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 97.27 -27.225803 -2.2832131 28.115788 1 3260 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 97.27 -28.109344 -1.1799831 28.472488 1 3261 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 97.27 -29.1566 -1.0250323 27.382393 1 3262 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 97.27 -28.823532 -1.0332425 26.192196 1 3263 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 96.48 -27.330585 0.13700226 28.653627 1 3264 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 93.36 -28.284382 1.3228719 28.75531 1 3265 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 93.36 -26.445831 0.05640163 29.888512 1 3266 +ATOM N N . THR B0 2 206 . 206 THR B0 N 96.48 -30.411583 -0.89386773 27.795881 1 3267 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 96.48 -31.502827 -0.7263982 26.844376 1 3268 +ATOM C C . THR B0 2 206 . 206 THR B0 C 96.09 -32.20053 0.61043453 27.0664 1 3269 +ATOM O O . THR B0 2 206 . 206 THR B0 O 95.31 -32.565536 0.9491997 28.19059 1 3270 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 96.48 -32.529232 -1.8615918 26.965408 1 3271 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 93.75 -31.901257 -3.1068773 26.660175 1 3272 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 92.58 -33.696705 -1.6481097 26.003212 1 3273 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 96.48 -32.346123 1.3592924 25.982933 1 3274 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 96.09 -33.142216 2.5870163 25.98679 1 3275 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 96.48 -34.33297 2.3461933 25.077051 1 3276 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 96.48 -34.18064 1.7949617 23.976376 1 3277 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 95.7 -32.325115 3.7838757 25.493946 1 3278 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 92.58 -31.18998 4.1770887 26.430046 1 3279 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 89.45 -31.717922 4.73469 27.74721 1 3280 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 86.33 -30.5588 5.176403 28.64606 1 3281 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 82.42 -31.040047 5.719885 29.930962 1 3282 +ATOM N N . SER B0 2 208 . 208 SER B0 N 95.7 -35.5306 2.7252393 25.530575 1 3283 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 95.31 -36.725967 2.4436042 24.74937 1 3284 +ATOM C C . SER B0 2 208 . 208 SER B0 C 95.31 -37.777264 3.5300627 24.933983 1 3285 +ATOM O O . SER B0 2 208 . 208 SER B0 O 94.53 -37.68112 4.359215 25.841423 1 3286 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 94.92 -37.32116 1.0846021 25.130613 1 3287 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 89.84 -37.769978 1.0839432 26.470875 1 3288 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 95.7 -38.769264 3.506431 24.066711 1 3289 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 95.7 -39.922142 4.398298 24.176699 1 3290 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 95.31 -41.1484 3.7006342 23.62164 1 3291 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 94.92 -41.03835 2.722379 22.872887 1 3292 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 95.7 -39.684586 5.734734 23.44117 1 3293 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 95.7 -39.606728 5.604353 21.941296 1 3294 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 94.92 -38.38183 5.4210944 21.316662 1 3295 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 94.92 -40.737415 5.6834917 21.159645 1 3296 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 94.53 -38.299187 5.3138385 19.933292 1 3297 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 94.53 -40.66079 5.5730486 19.779654 1 3298 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 95.31 -39.44491 5.390192 19.166512 1 3299 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 94.92 -42.298584 4.1833935 24.01802 1 3300 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 94.53 -43.565464 3.6930017 23.482275 1 3301 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 94.53 -44.068188 4.688307 22.450855 1 3302 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 92.97 -44.11027 5.8927712 22.709911 1 3303 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 94.14 -44.60496 3.5313592 24.594814 1 3304 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 91.8 -44.254303 2.4362597 25.578102 1 3305 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 87.11 -43.53776 1.4963078 25.237257 1 3306 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 85.94 -44.761036 2.531301 26.799067 1 3307 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 94.14 -44.434235 4.186638 21.257858 1 3308 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 93.36 -44.91668 5.0524116 20.191345 1 3309 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 91.8 -46.097275 5.88999 20.685394 1 3310 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 88.28 -47.018368 5.3714285 21.310017 1 3311 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 92.58 -45.3376 4.226499 18.963955 1 3312 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 91.02 -45.837265 5.0634503 17.800476 1 3313 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 91.02 -46.335045 4.19795 16.648699 1 3314 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 90.62 -47.310215 3.2081153 17.072163 1 3315 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 91.02 -48.584763 3.4671745 17.324766 1 3316 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 88.28 -49.4125 2.5015388 17.725168 1 3317 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 88.28 -49.043198 4.692413 17.160606 1 3318 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 87.89 -46.054268 7.1627026 20.408852 1 3319 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 85.16 -47.107983 8.076141 20.812813 1 3320 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 83.59 -46.82347 8.839939 22.087381 1 3321 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 76.95 -47.544044 9.795722 22.406786 1 3322 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 80.08 -45.8323 8.431307 22.813828 1 3323 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 77.73 -45.480293 9.110414 24.049213 1 3324 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 75.78 -44.48605 10.256421 23.782839 1 3325 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 70.31 -43.918877 10.36665 22.69812 1 3326 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 73.05 -44.856197 8.131474 25.056995 1 3327 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 67.58 -45.836254 7.076748 25.516552 1 3328 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 64.84 -45.20692 6.1281343 26.514397 1 3329 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 61.33 -45.927597 5.2879043 27.066637 1 3330 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 61.33 -43.97691 6.215063 26.750343 1 3331 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 60.55 -44.17056 11.029571 24.694649 1 3332 +ATOM N N . SER C0 3 1 . 1 SER C0 N 64.45 40.35795 15.720384 2.6446996 1 3333 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 65.62 40.639446 16.266762 3.9702632 1 3334 +ATOM C C . SER C0 3 1 . 1 SER C0 C 68.36 41.286736 15.225344 4.8629093 1 3335 +ATOM O O . SER C0 3 1 . 1 SER C0 O 65.23 42.22309 15.530209 5.604447 1 3336 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 61.72 39.360344 16.78789 4.601658 1 3337 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 56.64 38.78243 17.812202 3.8122606 1 3338 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 77.73 40.812267 13.9998455 4.797574 1 3339 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 77.73 41.375553 12.888771 5.5591574 1 3340 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 77.73 42.569054 12.3279505 4.801352 1 3341 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 73.83 42.452415 11.998444 3.612456 1 3342 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 75.0 40.30841 11.81148 5.778716 1 3343 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 72.27 40.627426 10.687975 6.752878 1 3344 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 70.7 39.485146 9.677417 6.7576165 1 3345 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 69.14 40.86645 11.220838 8.150427 1 3346 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 79.69 43.712917 12.195854 5.479421 1 3347 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 80.08 44.927055 11.714746 4.829096 1 3348 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 81.64 45.501152 10.507826 5.569627 1 3349 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 78.12 44.966904 10.071803 6.5919123 1 3350 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 75.78 45.96853 12.835676 4.7314773 1 3351 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 69.92 46.30545 13.464827 6.0639358 1 3352 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 65.62 46.12673 12.808687 7.1083336 1 3353 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 64.06 46.75792 14.61763 6.0653744 1 3354 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 79.69 46.62194 9.961924 5.042123 1 3355 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 80.08 47.231457 8.757744 5.6138873 1 3356 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 81.64 47.758324 8.988664 7.024702 1 3357 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 78.12 47.828117 8.040272 7.812428 1 3358 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 75.78 48.37243 8.271179 4.7162213 1 3359 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 69.14 47.94002 7.3095236 3.6061087 1 3360 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 65.62 47.21564 7.990151 2.4693422 1 3361 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 61.33 47.148457 9.237785 2.4347548 1 3362 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 59.77 46.690384 7.285243 1.5844815 1 3363 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 83.98 48.13539 10.219648 7.359045 1 3364 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 85.16 48.681023 10.498048 8.678415 1 3365 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 87.5 47.641243 10.302407 9.769555 1 3366 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 85.16 47.954346 9.779064 10.843974 1 3367 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 81.25 49.236443 11.928501 8.73167 1 3368 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 73.83 49.78894 12.318996 10.102716 1 3369 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 69.92 50.294456 13.754845 10.094425 1 3370 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 64.45 50.794823 14.159517 11.479403 1 3371 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 59.38 51.26805 15.564369 11.498745 1 3372 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 87.5 46.40516 10.684756 9.490612 1 3373 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 88.67 45.346493 10.608208 10.4784 1 3374 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 90.62 44.282234 9.565395 10.136618 1 3375 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 88.67 43.155064 9.638479 10.618455 1 3376 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 85.16 44.689484 11.988963 10.640232 1 3377 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 80.47 45.667603 13.047051 11.11849 1 3378 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 75.39 46.32293 12.875053 12.147102 1 3379 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 74.22 45.77819 14.153341 10.382022 1 3380 +ATOM N N . SER C0 3 7 . 7 SER C0 N 91.02 44.657753 8.570917 9.320018 1 3381 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 92.19 43.685417 7.556617 8.9207535 1 3382 +ATOM C C . SER C0 3 7 . 7 SER C0 C 93.36 44.35747 6.207229 8.700843 1 3383 +ATOM O O . SER C0 3 7 . 7 SER C0 O 92.19 45.57669 6.1152716 8.591249 1 3384 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 90.62 42.945618 7.9871807 7.6534166 1 3385 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 87.11 43.83172 8.039797 6.5565786 1 3386 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 92.97 43.541527 5.179661 8.64494 1 3387 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 93.75 43.983814 3.8245695 8.338418 1 3388 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 94.53 43.362823 3.4242544 7.002152 1 3389 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 94.14 42.156517 3.617512 6.785302 1 3390 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 92.19 43.570118 2.8387747 9.447842 1 3391 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 85.94 43.94483 1.4203339 9.056937 1 3392 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 84.38 44.21017 3.2224803 10.771163 1 3393 +ATOM N N . SER C0 3 9 . 9 SER C0 N 94.14 44.160194 2.8819327 6.107143 1 3394 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 94.14 43.68358 2.4589252 4.7972136 1 3395 +ATOM C C . SER C0 3 9 . 9 SER C0 C 94.53 43.207035 1.007232 4.862052 1 3396 +ATOM O O . SER C0 3 9 . 9 SER C0 O 94.14 43.936317 0.13165775 5.324245 1 3397 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 92.97 44.784607 2.6191497 3.7547526 1 3398 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 86.33 44.314484 2.2721431 2.4695497 1 3399 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 94.92 41.982582 0.7667093 4.4120674 1 3400 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 94.92 41.40177 -0.57367706 4.412217 1 3401 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 95.31 41.098717 -0.97765225 2.9724944 1 3402 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 94.53 40.383175 -0.26628163 2.2564507 1 3403 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 94.14 40.110443 -0.62622184 5.258462 1 3404 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 91.02 39.488895 -2.0095572 5.1980476 1 3405 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 89.84 40.39538 -0.22024795 6.702069 1 3406 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 94.92 41.645145 -2.1177292 2.5520205 1 3407 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 94.53 41.402733 -2.6249056 1.2027773 1 3408 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 95.31 40.0221 -3.2666485 1.1242003 1 3409 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 94.14 39.60088 -3.9767532 2.0390978 1 3410 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 92.97 42.479042 -3.635326 0.81072044 1 3411 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 87.11 43.83481 -2.984255 0.60913754 1 3412 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 82.81 43.87583 -1.8201984 0.15836202 1 3413 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 80.86 44.85486 -3.6425238 0.89257884 1 3414 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 94.92 39.332077 -3.0253816 0.017493881 1 3415 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 95.31 37.974644 -3.505707 -0.1797496 1 3416 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 94.92 37.873016 -4.3425055 -1.4480214 1 3417 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 93.36 38.7333 -4.2609115 -2.3270187 1 3418 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 95.31 37.0056 -2.3255057 -0.28290588 1 3419 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 94.92 36.96468 -1.3523728 0.89437705 1 3420 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 93.36 36.168335 -0.112708375 0.5086616 1 3421 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 92.58 36.383404 -2.0307636 2.1181638 1 3422 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 94.92 36.811317 -5.163285 -1.5609369 1 3423 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 94.14 36.5796 -5.8947644 -2.8042583 1 3424 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 93.36 36.4708 -4.928175 -3.9844284 1 3425 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 91.02 36.012146 -3.791522 -3.8307493 1 3426 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 92.97 35.250755 -6.615945 -2.5478728 1 3427 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 92.58 35.183826 -6.7660747 -1.0618179 1 3428 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 93.75 35.82364 -5.5210614 -0.52004856 1 3429 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 89.84 36.914566 -5.379239 -5.152961 1 3430 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 88.67 36.888344 -4.5199347 -6.3132963 1 3431 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 88.67 38.121017 -3.6469777 -6.4390216 1 3432 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 85.55 38.118202 -2.678658 -7.2013493 1 3433 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 89.06 39.165863 -4.008528 -5.692874 1 3434 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 89.06 40.426376 -3.2676926 -5.682439 1 3435 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 90.62 40.210373 -1.7906952 -5.362755 1 3436 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 88.67 40.80687 -0.9067651 -5.9638357 1 3437 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 85.55 41.14457 -3.4292185 -7.022565 1 3438 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 76.95 41.502846 -4.8777075 -7.3176084 1 3439 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 71.09 42.28439 -5.0506887 -8.603863 1 3440 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 65.23 42.407158 -6.1983643 -9.076214 1 3441 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 62.5 42.78051 -4.047054 -9.157385 1 3442 +ATOM N N . MET C0 3 16 . 16 MET C0 N 93.36 39.314625 -1.5499647 -4.4210305 1 3443 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 93.36 39.082302 -0.21417964 -3.8951323 1 3444 +ATOM C C . MET C0 3 16 . 16 MET C0 C 94.14 39.667557 -0.14387476 -2.493445 1 3445 +ATOM O O . MET C0 3 16 . 16 MET C0 O 92.97 40.0251 -1.1616616 -1.8952614 1 3446 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 91.8 37.578354 0.10465352 -3.8567133 1 3447 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 86.33 36.9362 0.26696512 -5.2228513 1 3448 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 83.98 35.184196 0.7121216 -5.1236963 1 3449 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 77.34 34.49492 -0.8519655 -4.5846806 1 3450 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 94.14 39.754196 1.048542 -1.9510193 1 3451 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 94.14 40.21721 1.2176019 -0.5846486 1 3452 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 94.53 39.444916 2.3573344 0.065449916 1 3453 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 94.14 38.977325 3.2753656 -0.61364836 1 3454 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 92.58 41.72782 1.504067 -0.51629305 1 3455 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 86.72 42.133385 2.854594 -1.0315945 1 3456 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 83.98 43.63079 3.1288729 -0.78774756 1 3457 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 76.56 44.512085 2.107736 -1.4790665 1 3458 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 70.7 45.94547 2.4173355 -1.3006246 1 3459 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 95.31 39.307114 2.2694607 1.3700373 1 3460 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 95.7 38.633247 3.3236585 2.1201463 1 3461 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 95.7 39.57683 3.799041 3.2254548 1 3462 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 94.92 40.28365 2.9963799 3.8449228 1 3463 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 95.31 37.285736 2.8344877 2.7230568 1 3464 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 91.41 36.564896 3.9886682 3.4340243 1 3465 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 90.23 37.50096 1.6761801 3.6812744 1 3466 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 95.31 39.62279 5.099154 3.4508114 1 3467 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 95.31 40.39579 5.6629276 4.5447464 1 3468 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 95.7 39.46888 5.862832 5.7418103 1 3469 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 95.31 38.40702 6.483012 5.609153 1 3470 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 94.53 41.017628 7.004785 4.132735 1 3471 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 91.02 41.992355 6.9766407 2.959001 1 3472 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 88.67 42.507088 8.389264 2.6822512 1 3473 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 87.11 43.149345 6.029491 3.2343273 1 3474 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 95.31 39.88408 5.327548 6.890101 1 3475 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 95.31 39.10525 5.4335732 8.122183 1 3476 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 94.92 39.877903 6.309268 9.109058 1 3477 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 94.14 41.058014 6.060276 9.368373 1 3478 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 95.31 38.83499 4.049211 8.744508 1 3479 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 92.97 37.913673 4.1791134 9.952656 1 3480 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 92.19 38.25266 3.098651 7.706271 1 3481 +ATOM N N . SER C0 3 21 . 21 SER C0 N 95.31 39.20589 7.3123865 9.6528225 1 3482 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 94.53 39.864407 8.198431 10.606642 1 3483 +ATOM C C . SER C0 3 21 . 21 SER C0 C 94.14 40.29686 7.410569 11.847303 1 3484 +ATOM O O . SER C0 3 21 . 21 SER C0 O 93.36 39.59502 6.5074267 12.303059 1 3485 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 93.75 38.928226 9.352259 11.005318 1 3486 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 89.84 37.782547 8.867449 11.6886215 1 3487 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 93.75 41.468575 7.7590275 12.371128 1 3488 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 93.36 41.98494 7.0854535 13.566004 1 3489 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 93.75 41.20421 7.4621387 14.823593 1 3490 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 92.58 41.144344 6.6810236 15.777409 1 3491 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 91.8 43.469776 7.419535 13.754223 1 3492 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 86.72 44.359 6.8249464 12.667165 1 3493 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 82.42 45.826096 7.1924057 12.907841 1 3494 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 76.56 46.711617 6.588809 11.826382 1 3495 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 70.31 48.12972 6.9655437 12.015242 1 3496 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 92.58 40.608067 8.667244 14.825398 1 3497 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 91.8 39.84776 9.117106 15.978763 1 3498 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 92.97 38.434326 9.48613 15.553747 1 3499 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 91.41 38.179955 9.82593 14.397018 1 3500 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 90.23 40.53058 10.310989 16.65941 1 3501 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 83.2 40.713543 11.51763 15.76227 1 3502 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 79.3 41.47871 12.63485 16.443325 1 3503 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 73.83 41.988335 12.425854 17.57344 1 3504 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 72.27 41.579014 13.730988 15.874567 1 3505 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 93.75 37.51066 9.436024 16.50661 1 3506 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 93.36 36.11076 9.769365 16.25457 1 3507 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 92.97 35.939056 11.273766 16.061646 1 3508 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 91.41 36.717865 12.077246 16.592978 1 3509 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 92.97 35.22354 9.289036 17.410946 1 3510 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 89.84 35.19229 7.777004 17.580267 1 3511 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 88.28 34.33053 7.391038 18.778551 1 3512 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 83.98 34.294186 5.8821287 18.95644 1 3513 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 78.91 33.49322 5.4913154 20.135406 1 3514 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 93.36 34.894684 11.637011 15.300209 1 3515 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 92.58 34.593674 13.052926 15.11072 1 3516 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 92.58 33.73294 13.554066 16.267136 1 3517 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 91.41 33.515133 12.8326845 17.243557 1 3518 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 91.41 33.9013 13.288209 13.759426 1 3519 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 90.62 32.59665 12.537678 13.61936 1 3520 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 87.11 31.924576 12.228358 14.607164 1 3521 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 86.33 32.21036 12.245457 12.386511 1 3522 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 92.97 33.273766 14.788921 16.188599 1 3523 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 92.97 32.49539 15.379051 17.270237 1 3524 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 93.36 31.16357 14.675797 17.502499 1 3525 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 91.8 30.542595 14.862952 18.555243 1 3526 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 91.41 32.246376 16.864794 16.984434 1 3527 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 85.16 31.494919 17.119846 15.6874485 1 3528 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 80.86 31.357313 18.615723 15.419948 1 3529 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 75.0 30.657055 18.880268 14.103922 1 3530 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 69.14 30.54609 20.327957 13.844533 1 3531 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 93.36 30.708942 13.864333 16.537354 1 3532 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 93.36 29.471725 13.100455 16.681915 1 3533 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 94.14 29.714249 11.681997 17.193588 1 3534 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 92.97 28.783146 10.878506 17.261593 1 3535 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 91.8 28.723143 13.04155 15.350832 1 3536 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 88.67 28.276592 14.403153 14.867153 1 3537 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 85.55 27.838581 15.216372 15.710461 1 3538 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 83.98 28.366636 14.66564 13.648443 1 3539 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 94.53 30.951145 11.379547 17.56482 1 3540 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 94.53 31.286556 10.057478 18.076944 1 3541 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 95.31 31.334452 8.980503 17.011147 1 3542 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 94.14 31.136984 7.800726 17.318594 1 3543 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 95.31 31.595228 9.360798 15.765137 1 3544 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 95.7 31.670847 8.402494 14.663687 1 3545 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 95.7 33.00022 8.546779 13.931936 1 3546 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 94.92 33.671654 9.578775 14.028381 1 3547 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 94.92 30.505005 8.606294 13.692192 1 3548 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 91.8 29.135292 8.323713 14.304509 1 3549 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 89.45 28.03306 8.457409 13.267446 1 3550 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 83.98 26.67472 8.115169 13.86627 1 3551 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 78.12 25.596157 8.208075 12.864483 1 3552 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 95.31 33.354984 7.5011506 13.19206 1 3553 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 95.7 34.57554 7.519715 12.404907 1 3554 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 96.09 34.29555 8.058817 11.0058365 1 3555 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 95.7 33.271927 7.7334666 10.40135 1 3556 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 95.31 35.183506 6.11985 12.315243 1 3557 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 94.92 35.655006 5.5769014 13.6415615 1 3558 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 92.97 34.825912 4.7879677 14.424946 1 3559 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 92.58 36.931 5.867399 14.105358 1 3560 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 91.41 35.25516 4.3040223 15.649508 1 3561 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 91.41 37.3599 5.3851223 15.334303 1 3562 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 92.58 36.517822 4.599941 16.09778 1 3563 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 91.41 36.946213 4.126274 17.315113 1 3564 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 95.7 35.196945 8.878834 10.517683 1 3565 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 95.7 35.064384 9.43432 9.17492 1 3566 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 96.09 35.591736 8.445831 8.141589 1 3567 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 95.7 36.625015 7.806012 8.352927 1 3568 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 94.53 35.82291 10.760687 9.059666 1 3569 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 91.41 35.213837 11.8588505 9.905095 1 3570 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 87.89 33.972595 11.9168 9.9950485 1 3571 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 86.33 35.97969 12.655425 10.475572 1 3572 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 95.31 34.886024 8.316497 7.0357046 1 3573 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 95.7 35.27468 7.4363027 5.940566 1 3574 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 95.7 35.448097 8.261592 4.6697516 1 3575 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 95.31 34.62391 9.126557 4.371978 1 3576 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 95.7 34.211647 6.361663 5.6960325 1 3577 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 95.31 33.761192 5.5023785 6.8835206 1 3578 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 93.36 32.64834 4.5594883 6.4389753 1 3579 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 92.58 34.921837 4.733144 7.4777265 1 3580 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 95.31 36.50566 7.9726906 3.9250407 1 3581 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 95.31 36.74239 8.63237 2.64747 1 3582 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 95.31 37.23864 7.5947075 1.6452683 1 3583 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 95.31 38.10045 6.7799187 1.9634478 1 3584 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 94.14 37.75837 9.784442 2.7634435 1 3585 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 91.02 37.191 10.910428 3.6363795 1 3586 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 91.02 38.118454 10.326239 1.3725742 1 3587 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 83.59 38.13126 12.109694 3.7692761 1 3588 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 95.31 36.66844 7.6138883 0.46099976 1 3589 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 94.92 37.09789 6.723266 -0.6139685 1 3590 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 95.31 37.04599 7.4895062 -1.93172 1 3591 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 94.53 36.208252 8.375136 -2.1110551 1 3592 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 94.92 36.221382 5.4798293 -0.6819903 1 3593 +ATOM N N . THR C0 3 35 . 35 THR C0 N 93.75 37.94748 7.14877 -2.833014 1 3594 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 93.36 37.955513 7.757815 -4.156946 1 3595 +ATOM C C . THR C0 3 35 . 35 THR C0 C 93.75 37.556328 6.7043614 -5.1823025 1 3596 +ATOM O O . THR C0 3 35 . 35 THR C0 O 92.97 38.225952 5.6808586 -5.3232365 1 3597 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 91.8 39.33277 8.337828 -4.4993696 1 3598 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 87.5 39.688824 9.32645 -3.5293868 1 3599 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 86.33 39.32952 8.970297 -5.88484 1 3600 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 93.75 36.45613 6.9362764 -5.8617973 1 3601 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 93.36 35.93172 6.0119886 -6.8578715 1 3602 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 92.97 35.628654 6.807034 -8.129635 1 3603 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 91.41 34.924057 7.816485 -8.084366 1 3604 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 92.58 34.656754 5.302354 -6.3636456 1 3605 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 89.06 34.10611 4.3896074 -7.4502683 1 3606 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 88.28 34.942673 4.506998 -5.094881 1 3607 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 89.84 36.1913 6.3487816 -9.2463045 1 3608 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 89.06 35.968216 7.0049534 -10.530611 1 3609 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 89.84 36.318085 8.494272 -10.444627 1 3610 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 87.5 35.56994 9.360075 -10.915179 1 3611 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 86.72 34.5219 6.811149 -10.986171 1 3612 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 82.03 34.30092 7.1844893 -12.435472 1 3613 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 77.34 35.273384 7.1139126 -13.219095 1 3614 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 75.39 33.15763 7.548936 -12.792095 1 3615 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 91.41 37.449562 8.782995 -9.8227005 1 3616 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 91.02 37.97712 10.132661 -9.670534 1 3617 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 92.19 37.08516 11.045617 -8.831629 1 3618 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 90.23 37.232132 12.266684 -8.880476 1 3619 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 88.28 38.228714 10.773255 -11.051759 1 3620 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 80.47 39.1875 9.987316 -11.926024 1 3621 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 75.39 39.378326 10.671032 -13.274358 1 3622 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 68.36 40.304905 9.8570175 -14.168362 1 3623 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 61.72 40.470192 10.495237 -15.49133 1 3624 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 94.14 36.184265 10.461814 -8.075821 1 3625 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 94.53 35.30063 11.229151 -7.206002 1 3626 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 94.92 35.54524 10.833729 -5.7520704 1 3627 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 93.75 35.58239 9.642471 -5.4305897 1 3628 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 93.75 33.83534 10.986893 -7.5718975 1 3629 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 91.41 32.797256 11.707052 -6.702883 1 3630 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 89.06 31.40356 11.164673 -6.980927 1 3631 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 87.89 32.846916 13.20913 -6.949485 1 3632 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 94.53 35.723713 11.831211 -4.896111 1 3633 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 94.53 35.909454 11.549311 -3.4772518 1 3634 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 95.31 34.550507 11.39873 -2.8038192 1 3635 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 94.92 33.704178 12.290653 -2.8784697 1 3636 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 93.36 36.70157 12.676629 -2.8002572 1 3637 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 88.28 37.011555 12.400879 -1.3439102 1 3638 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 85.94 37.86725 13.486633 -0.7153071 1 3639 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 81.64 39.108738 13.350306 -0.70570886 1 3640 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 80.47 37.289345 14.480854 -0.23833552 1 3641 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 95.7 34.354908 10.260311 -2.1619463 1 3642 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 96.09 33.129562 9.976761 -1.425926 1 3643 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 96.09 33.40474 10.082959 0.06537883 1 3644 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 95.31 34.47368 9.686008 0.5298587 1 3645 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 96.09 32.597374 8.579621 -1.7593157 1 3646 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 95.7 32.441177 8.244923 -3.2446404 1 3647 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 94.53 31.977097 6.802441 -3.412095 1 3648 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 93.36 31.481781 9.208648 -3.9175649 1 3649 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 96.09 32.44745 10.602608 0.80637866 1 3650 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 95.7 32.604706 10.785158 2.244185 1 3651 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 96.09 31.43163 10.178829 2.9994526 1 3652 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 95.31 30.304047 10.152239 2.5073314 1 3653 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 94.53 32.72641 12.276341 2.5920126 1 3654 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 89.06 33.937874 12.953793 1.9791456 1 3655 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 85.94 34.0049 14.419636 2.3792663 1 3656 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 78.91 35.228554 15.089176 1.7750273 1 3657 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 73.05 35.293503 16.515455 2.1454973 1 3658 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 95.7 31.717957 9.721405 4.1962037 1 3659 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 96.09 30.684118 9.170237 5.0601735 1 3660 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 96.09 31.205418 8.984547 6.4703016 1 3661 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 95.31 32.348396 9.328379 6.7782564 1 3662 +ATOM N N . THR C0 3 44 . 44 THR C0 N 95.7 30.333862 8.459099 7.3502693 1 3663 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 95.7 30.71954 8.170906 8.721706 1 3664 +ATOM C C . THR C0 3 44 . 44 THR C0 C 96.09 30.2286 6.7820396 9.10443 1 3665 +ATOM O O . THR C0 3 44 . 44 THR C0 O 95.31 29.346079 6.21556 8.453881 1 3666 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 94.53 30.14703 9.203744 9.712547 1 3667 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 89.45 28.720057 9.205152 9.619861 1 3668 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 87.89 30.684118 10.597632 9.42823 1 3669 +ATOM N N . SER C0 3 45 . 45 SER C0 N 95.7 30.820621 6.242005 10.155289 1 3670 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 96.09 30.454613 4.9006987 10.604954 1 3671 +ATOM C C . SER C0 3 45 . 45 SER C0 C 96.09 30.666939 4.7783155 12.109465 1 3672 +ATOM O O . SER C0 3 45 . 45 SER C0 O 95.31 31.570042 5.4100065 12.670015 1 3673 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 95.31 31.27203 3.8397808 9.869797 1 3674 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 92.97 30.995043 2.5446908 10.368292 1 3675 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 95.31 29.840313 3.947523 12.746192 1 3676 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 94.92 30.032516 3.6478696 14.166811 1 3677 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 95.31 31.190819 2.6759565 14.375914 1 3678 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 94.14 31.697447 2.547718 15.486836 1 3679 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 93.36 28.752415 3.0531256 14.7750225 1 3680 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 88.28 27.632856 4.0643206 14.8909855 1 3681 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 83.98 27.912668 5.2166033 15.289854 1 3682 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 82.42 26.471668 3.708702 14.598607 1 3683 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 94.92 31.581627 1.9961163 13.318665 1 3684 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 94.92 32.681572 1.0436928 13.382574 1 3685 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 95.31 33.933174 1.6492007 12.751898 1 3686 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 94.14 33.851112 2.5186448 11.8829365 1 3687 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 93.75 32.31363 -0.2586264 12.665364 1 3688 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 90.23 31.133278 -0.9895123 13.288338 1 3689 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 87.5 30.86124 -2.3045359 12.56121 1 3690 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 82.03 29.705479 -3.0493083 13.205622 1 3691 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 76.56 29.442083 -4.3395343 12.527686 1 3692 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 94.92 35.09632 1.1623597 13.201035 1 3693 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 94.14 36.358253 1.6740645 12.688573 1 3694 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 94.92 37.03518 0.7054126 11.7235985 1 3695 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 93.75 38.223488 0.83395773 11.447741 1 3696 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 92.58 37.309864 2.0150204 13.840624 1 3697 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 90.62 37.745903 0.78205764 14.636404 1 3698 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 86.33 37.262863 -0.3301038 14.4198265 1 3699 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 85.16 38.65985 0.9856825 15.57153 1 3700 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 95.31 36.270676 -0.26931483 11.196888 1 3701 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 95.7 36.846443 -1.2718029 10.305191 1 3702 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 95.31 36.69513 -0.9200499 8.822815 1 3703 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 94.53 37.157417 -1.6751707 7.971783 1 3704 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 95.31 36.23609 -2.6446416 10.590604 1 3705 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 94.53 34.76999 -2.7276354 10.208622 1 3706 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 91.41 34.117447 -1.7174834 9.952359 1 3707 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 90.62 34.239426 -3.9368773 10.168306 1 3708 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 95.31 36.067284 0.17744 8.502089 1 3709 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 95.7 35.887424 0.5869153 7.120605 1 3710 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 96.48 34.50106 0.34251893 6.56275 1 3711 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 96.09 34.213238 0.7678367 5.4360595 1 3712 +ATOM N N . SER C0 3 51 . 51 SER C0 N 96.48 33.62683 -0.333705 7.2929115 1 3713 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 96.48 32.27691 -0.5844679 6.824862 1 3714 +ATOM C C . SER C0 3 51 . 51 SER C0 C 96.88 31.437004 0.6878166 6.9733596 1 3715 +ATOM O O . SER C0 3 51 . 51 SER C0 O 96.09 31.677616 1.5031105 7.8640175 1 3716 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 96.09 31.635983 -1.7394627 7.6018257 1 3717 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 92.19 31.494997 -1.417715 8.964521 1 3718 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 96.09 30.463747 0.83294815 6.087382 1 3719 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 96.09 29.598759 1.9983063 6.1571336 1 3720 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 96.88 29.153372 2.4598293 4.781294 1 3721 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 96.48 29.270222 1.7338777 3.7938402 1 3722 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 94.92 28.611576 3.6621606 4.7417707 1 3723 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 95.31 28.100105 4.232918 3.5058668 1 3724 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 95.7 28.818726 5.552833 3.2237296 1 3725 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 95.31 28.969484 6.388084 4.122736 1 3726 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 94.14 26.573778 4.472478 3.5901828 1 3727 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 91.8 26.069073 5.129926 2.312758 1 3728 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 91.41 25.846565 3.1595392 3.8328726 1 3729 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 96.88 29.264885 5.726492 1.9924201 1 3730 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 96.88 29.922752 6.9529285 1.5579159 1 3731 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 97.27 29.172419 7.5147142 0.362 1 3732 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 96.48 28.688097 6.755211 -0.484808 1 3733 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 96.48 31.383915 6.6995473 1.1817503 1 3734 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 95.7 32.3017 6.1167974 2.2512116 1 3735 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 94.14 33.742138 6.532027 1.9983014 1 3736 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 93.75 32.174664 4.597039 2.2910726 1 3737 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 96.48 29.085644 8.828129 0.29300758 1 3738 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 96.09 28.333527 9.45874 -0.778399 1 3739 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 96.09 29.09643 10.6455765 -1.3675961 1 3740 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 95.31 29.929695 11.256198 -0.69934475 1 3741 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 94.53 26.96109 9.930506 -0.27467486 1 3742 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 89.06 26.081581 8.794579 0.22713824 1 3743 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 86.33 24.743305 9.26577 0.7449144 1 3744 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 82.42 23.79982 8.452007 0.8113271 1 3745 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 82.42 24.625065 10.455893 1.0860124 1 3746 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 96.09 28.779554 10.951738 -2.6121342 1 3747 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 96.09 29.375422 12.091288 -3.290967 1 3748 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 96.09 28.49657 12.5478525 -4.441433 1 3749 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 95.7 27.541899 11.864019 -4.815411 1 3750 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 95.7 28.821934 13.711725 -4.9877872 1 3751 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 95.7 28.053635 14.290456 -6.0845985 1 3752 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 95.7 28.99486 14.616166 -7.241946 1 3753 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 94.92 30.019022 15.279551 -7.047098 1 3754 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 94.92 27.307028 15.569485 -5.645277 1 3755 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 92.58 26.485552 16.133385 -6.8014183 1 3756 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 92.19 26.407528 15.2735195 -4.4489937 1 3757 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 94.92 28.643524 14.134535 -8.440792 1 3758 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 94.92 29.445047 14.414996 -9.620399 1 3759 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 95.31 29.170938 15.825462 -10.14175 1 3760 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 94.14 28.228678 16.50182 -9.708052 1 3761 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 93.75 29.156054 13.396792 -10.716205 1 3762 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 90.62 29.68053 12.011867 -10.444241 1 3763 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 87.89 29.410793 11.093947 -11.623062 1 3764 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 83.98 30.043215 9.730232 -11.430641 1 3765 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 79.69 31.520382 9.794462 -11.5059 1 3766 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 93.75 29.988678 16.267456 -11.092812 1 3767 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 92.97 29.833605 17.604868 -11.665228 1 3768 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 93.36 28.482166 17.778337 -12.353269 1 3769 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 91.8 27.921108 18.875116 -12.359134 1 3770 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 91.8 30.96784 17.887413 -12.647146 1 3771 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 91.8 27.947124 16.687666 -12.937128 1 3772 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 91.8 26.654348 16.765738 -13.608412 1 3773 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 92.19 25.489573 16.599575 -12.628079 1 3774 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 91.02 24.34886 16.40967 -13.051142 1 3775 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 90.62 26.560509 15.722638 -14.728575 1 3776 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 90.62 26.604244 14.292367 -14.225342 1 3777 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 89.45 26.725197 14.078833 -12.997169 1 3778 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 87.89 26.51413 13.368097 -15.060277 1 3779 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 92.97 25.791723 16.645454 -11.329546 1 3780 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 92.58 24.83638 16.558067 -10.231761 1 3781 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 93.75 24.287453 15.156071 -9.997358 1 3782 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 92.58 23.376411 14.977771 -9.183437 1 3783 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 90.62 23.677252 17.551262 -10.426893 1 3784 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 83.98 24.12878 19.001017 -10.430815 1 3785 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 78.91 22.95307 19.951414 -10.429151 1 3786 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 71.88 23.42894 21.392962 -10.486519 1 3787 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 64.84 24.26376 21.738255 -9.293173 1 3788 +ATOM N N . SER C0 3 62 . 62 SER C0 N 93.36 24.820541 14.1635475 -10.707249 1 3789 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 93.75 24.43748 12.796374 -10.410959 1 3790 +ATOM C C . SER C0 3 62 . 62 SER C0 C 94.53 25.030188 12.414513 -9.056393 1 3791 +ATOM O O . SER C0 3 62 . 62 SER C0 O 94.53 26.081709 12.920631 -8.655142 1 3792 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 92.19 24.915478 11.840331 -11.51027 1 3793 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 88.28 26.31997 11.862647 -11.652091 1 3794 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 94.92 24.360952 11.520328 -8.362713 1 3795 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 94.92 24.771477 11.122065 -7.014035 1 3796 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 96.09 25.438961 9.749491 -7.0450764 1 3797 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 95.7 25.013878 8.852684 -7.7933793 1 3798 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 93.75 23.559586 11.086456 -6.0772676 1 3799 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 90.62 22.692425 12.336662 -6.116638 1 3800 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 87.5 23.394356 13.542621 -5.5557623 1 3801 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 81.64 22.530064 14.798553 -5.639469 1 3802 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 75.39 21.294226 14.682404 -4.837332 1 3803 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 96.48 26.483786 9.586756 -6.2457848 1 3804 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 96.48 27.214027 8.32844 -6.1501775 1 3805 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 96.88 27.177244 7.843959 -4.7043324 1 3806 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 96.48 27.406078 8.627876 -3.7756608 1 3807 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 96.09 28.675508 8.476441 -6.620554 1 3808 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 93.75 29.400606 7.1442785 -6.538253 1 3809 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 93.36 28.720472 9.033386 -8.038536 1 3810 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 96.09 26.895424 6.5763583 -4.5299377 1 3811 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 96.09 26.793823 5.9849043 -3.1984935 1 3812 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 96.48 27.579052 4.6771555 -3.155621 1 3813 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 96.09 27.361866 3.7936683 -3.989771 1 3814 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 94.92 25.322332 5.734144 -2.8342512 1 3815 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 91.8 25.111336 5.110544 -1.4636152 1 3816 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 90.23 23.619202 4.9012547 -1.2176515 1 3817 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 85.16 23.364914 4.24481 0.13574538 1 3818 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 80.86 21.917389 4.0452814 0.35893226 1 3819 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 97.27 28.507668 4.5882564 -2.2086105 1 3820 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 97.27 29.2976 3.3758311 -2.00664 1 3821 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 97.27 28.927406 2.767736 -0.66333646 1 3822 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 96.48 29.056585 3.4278846 0.37680626 1 3823 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 96.88 30.801937 3.6961014 -2.0393152 1 3824 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 96.09 31.742044 2.5313685 -1.6974409 1 3825 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 94.92 33.177235 3.0310128 -1.5832131 1 3826 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 94.92 31.641315 1.4197779 -2.7381272 1 3827 +ATOM N N . THR C0 3 67 . 67 THR C0 N 96.09 28.442913 1.5432378 -0.68446714 1 3828 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 96.09 28.078495 0.84091353 0.5402578 1 3829 +ATOM C C . THR C0 3 67 . 67 THR C0 C 96.48 29.074648 -0.2920095 0.78114694 1 3830 +ATOM O O . THR C0 3 67 . 67 THR C0 O 96.09 29.29227 -1.1239245 -0.09832707 1 3831 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 94.92 26.651005 0.2843899 0.4586073 1 3832 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 92.58 25.732899 1.3524647 0.1925662 1 3833 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 92.58 26.256031 -0.40848243 1.7567358 1 3834 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 97.27 29.670128 -0.29426366 1.9615766 1 3835 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 97.27 30.632303 -1.3198183 2.3533034 1 3836 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 96.88 29.997833 -2.1743286 3.4409397 1 3837 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 96.48 29.587385 -1.6539643 4.4805427 1 3838 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 97.27 31.940165 -0.68233424 2.8668785 1 3839 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 95.7 32.48497 0.30510956 1.8271625 1 3840 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 95.7 32.968002 -1.762275 3.1953328 1 3841 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 93.75 33.562996 1.2358258 2.363937 1 3842 +ATOM N N . SER C0 3 69 . 69 SER C0 N 96.88 29.898567 -3.4928231 3.2059205 1 3843 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 96.88 29.248295 -4.3913 4.1489515 1 3844 +ATOM C C . SER C0 3 69 . 69 SER C0 C 96.88 30.009388 -4.4496183 5.472973 1 3845 +ATOM O O . SER C0 3 69 . 69 SER C0 O 96.48 31.20421 -4.16399 5.5380764 1 3846 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 96.09 29.116749 -5.7948933 3.5576746 1 3847 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 92.58 30.393377 -6.3565345 3.291566 1 3848 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 96.09 29.298325 -4.834844 6.5353565 1 3849 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 95.7 29.877466 -4.885923 7.875946 1 3850 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 96.09 31.09254 -5.8106146 7.953777 1 3851 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 94.92 32.043488 -5.517326 8.676355 1 3852 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 94.53 28.82642 -5.3256593 8.898374 1 3853 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 89.06 27.79049 -4.256486 9.175417 1 3854 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 84.38 28.013859 -3.081511 8.8050995 1 3855 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 82.81 26.739285 -4.5823746 9.772554 1 3856 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 96.09 31.058926 -6.930402 7.208576 1 3857 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 95.31 32.17591 -7.8681145 7.229036 1 3858 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 95.7 33.22826 -7.5445786 6.1707816 1 3859 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 94.53 34.159805 -8.321796 5.9824963 1 3860 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 94.53 31.673824 -9.312605 7.0632544 1 3861 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 92.97 30.999544 -9.55524 5.7243633 1 3862 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 90.62 30.90887 -8.618799 4.897197 1 3863 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 89.06 30.552952 -10.700968 5.49238 1 3864 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 95.7 33.074577 -6.422164 5.490217 1 3865 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 95.7 33.97532 -5.9627852 4.4395046 1 3866 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 96.09 34.047512 -6.9245415 3.2538326 1 3867 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 94.92 34.979187 -6.8501425 2.444173 1 3868 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 95.7 35.396072 -5.724962 4.9893827 1 3869 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 94.92 35.507286 -4.8341846 6.2225885 1 3870 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 92.97 36.97396 -4.658437 6.596506 1 3871 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 92.19 34.85997 -3.4847345 5.9587746 1 3872 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 96.09 33.06041 -7.812765 3.1479828 1 3873 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 96.09 33.067703 -8.821195 2.0972304 1 3874 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 96.09 32.366776 -8.420237 0.81508166 1 3875 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 95.31 32.38752 -9.170717 -0.1630136 1 3876 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 96.48 31.739212 -7.260109 0.8001925 1 3877 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 96.48 31.011175 -6.833388 -0.39324206 1 3878 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 96.88 30.928642 -5.314377 -0.46032274 1 3879 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 96.88 30.79516 -4.643323 0.57237124 1 3880 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 95.7 29.601292 -7.4350824 -0.38758957 1 3881 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 92.19 28.78196 -7.12081 -1.6277318 1 3882 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 90.23 27.416273 -7.780753 -1.6033975 1 3883 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 84.77 26.441383 -7.1910663 -1.1507561 1 3884 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 83.2 27.348969 -9.022257 -2.0707784 1 3885 +ATOM N N . THR C0 3 75 . 75 THR C0 N 96.88 31.026175 -4.7907615 -1.6722476 1 3886 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 96.88 30.816814 -3.3692818 -1.9016645 1 3887 +ATOM C C . THR C0 3 75 . 75 THR C0 C 96.88 29.733671 -3.1850743 -2.9561555 1 3888 +ATOM O O . THR C0 3 75 . 75 THR C0 O 96.88 29.612526 -3.9905295 -3.8847055 1 3889 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 96.09 32.098034 -2.6472826 -2.3638275 1 3890 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 92.97 32.54471 -3.2151275 -3.5924895 1 3891 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 92.58 33.201477 -2.767425 -1.3169591 1 3892 +ATOM N N . THR C0 3 76 . 76 THR C0 N 96.48 28.939318 -2.1325474 -2.7869902 1 3893 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 96.48 27.90829 -1.7861823 -3.751791 1 3894 +ATOM C C . THR C0 3 76 . 76 THR C0 C 96.48 28.121758 -0.3283872 -4.1616497 1 3895 +ATOM O O . THR C0 3 76 . 76 THR C0 O 96.48 28.096443 0.5627632 -3.308387 1 3896 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 95.7 26.499794 -1.9622388 -3.1611023 1 3897 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 93.36 26.319069 -3.3255286 -2.7562437 1 3898 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 93.36 25.431847 -1.6037605 -4.190048 1 3899 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 96.48 28.346195 -0.115860015 -5.4502535 1 3900 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 96.48 28.554218 1.2243477 -5.9784164 1 3901 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 96.88 27.366726 1.5901604 -6.865675 1 3902 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 96.09 27.111427 0.9248353 -7.8709917 1 3903 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 96.48 29.859068 1.3129865 -6.778962 1 3904 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 95.31 30.21724 2.6926472 -7.3343506 1 3905 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 93.75 31.389675 2.5823922 -8.300919 1 3906 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 93.75 30.528542 3.6662905 -6.2134905 1 3907 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 96.09 26.65501 2.6354792 -6.486014 1 3908 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 96.09 25.460918 3.0463552 -7.2062273 1 3909 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 96.48 25.580967 4.492607 -7.6726546 1 3910 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 96.09 26.09283 5.3524733 -6.9478245 1 3911 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 95.31 24.211279 2.9028416 -6.3251357 1 3912 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 93.75 23.90592 1.4684327 -5.9130135 1 3913 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 92.97 22.844055 1.3838315 -4.838359 1 3914 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 90.23 21.762781 0.8272325 -5.104463 1 3915 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 90.62 23.092335 1.8858075 -3.724234 1 3916 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 95.7 25.110884 4.7432933 -8.893714 1 3917 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 95.7 25.057745 6.0974283 -9.437647 1 3918 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 95.7 23.599297 6.4150085 -9.720017 1 3919 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 95.7 22.89124 5.6183786 -10.35304 1 3920 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 95.7 25.898392 6.242072 -10.723594 1 3921 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 93.75 25.839167 7.6688986 -11.240398 1 3922 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 93.75 27.34351 5.813078 -10.46146 1 3923 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 95.31 23.138935 7.558929 -9.248559 1 3924 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 95.31 21.742424 7.967037 -9.378411 1 3925 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 94.92 21.61189 9.2617235 -10.171898 1 3926 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 94.14 22.58028 10.010033 -10.333517 1 3927 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 94.53 21.107185 8.192881 -8.003514 1 3928 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 94.14 21.168627 7.016609 -7.07421 1 3929 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 92.97 22.243702 6.8599386 -6.216106 1 3930 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 92.58 20.14943 6.078885 -7.0514617 1 3931 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 91.8 22.300884 5.7796884 -5.3484836 1 3932 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 91.8 20.200735 5.00406 -6.1917686 1 3933 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 91.8 21.275845 4.8493524 -5.336483 1 3934 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 92.58 20.378315 9.524811 -10.629845 1 3935 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 92.19 20.07219 10.830114 -11.194027 1 3936 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 92.19 20.131079 11.869955 -10.082933 1 3937 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 91.02 20.40964 11.5570545 -8.919887 1 3938 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 91.02 18.680927 10.828223 -11.841253 1 3939 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 88.67 18.574594 10.007347 -13.113466 1 3940 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 86.33 17.180096 10.144426 -13.718643 1 3941 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 82.42 17.05706 9.366314 -15.018953 1 3942 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 78.91 15.699088 9.495184 -15.595757 1 3943 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 91.41 19.834978 13.121031 -10.418748 1 3944 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 89.84 19.9017 14.2155285 -9.446672 1 3945 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 89.45 18.997255 13.992706 -8.239862 1 3946 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 87.11 19.298729 14.491371 -7.146282 1 3947 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 87.5 19.538029 15.5527315 -10.120634 1 3948 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 82.03 20.486143 15.974894 -11.233089 1 3949 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 78.12 20.071 15.456029 -12.595772 1 3950 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 73.44 20.528065 16.02274 -13.605633 1 3951 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 73.05 19.291677 14.4683275 -12.656755 1 3952 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 89.84 17.902817 13.237697 -8.404501 1 3953 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 89.45 16.966753 13.030539 -7.30293 1 3954 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 89.06 17.51231 12.070919 -6.2459073 1 3955 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 87.89 16.909819 11.925472 -5.1838446 1 3956 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 88.67 15.602926 12.552073 -7.809265 1 3957 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 88.67 15.663571 11.228088 -8.563971 1 3958 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 87.5 16.684856 10.50699 -8.454669 1 3959 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 85.94 14.677572 10.906971 -9.2601385 1 3960 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 91.8 18.649807 11.441296 -6.526992 1 3961 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 91.41 19.265017 10.545927 -5.570249 1 3962 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 92.19 18.540262 9.229014 -5.367038 1 3963 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 90.62 18.880577 8.471447 -4.4477906 1 3964 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 93.36 17.57848 8.92339 -6.225148 1 3965 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 92.97 16.791029 7.701982 -6.103398 1 3966 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 92.97 16.761677 6.8962464 -7.3908606 1 3967 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 91.41 16.841686 5.6663046 -7.35109 1 3968 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 92.19 15.3517475 8.035408 -5.6689167 1 3969 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 91.41 15.2553215 8.725252 -4.321283 1 3970 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 89.84 13.825289 9.169106 -4.057248 1 3971 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 87.89 13.732394 9.948189 -2.756109 1 3972 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 84.38 12.3686905 10.456659 -2.5487564 1 3973 +ATOM N N . THR C0 3 86 . 86 THR C0 N 92.58 16.628208 7.566403 -8.529159 1 3974 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 92.97 16.541424 6.8864985 -9.816425 1 3975 +ATOM C C . THR C0 3 86 . 86 THR C0 C 93.36 17.9223 6.370147 -10.213581 1 3976 +ATOM O O . THR C0 3 86 . 86 THR C0 O 92.58 18.84796 7.154379 -10.430252 1 3977 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 91.41 15.998215 7.827462 -10.899608 1 3978 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 89.06 14.754459 8.378744 -10.466064 1 3979 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 88.67 15.804828 7.0859013 -12.213424 1 3980 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 94.14 18.035234 5.04849 -10.345721 1 3981 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 94.14 19.324013 4.4053125 -10.588041 1 3982 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 94.53 19.773342 4.564457 -12.042658 1 3983 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 93.75 18.97623 4.3936844 -12.97318 1 3984 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 93.36 19.229275 2.9275584 -10.220022 1 3985 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 92.19 20.515224 2.1575234 -9.939813 1 3986 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 90.23 20.14624 0.74860823 -9.493414 1 3987 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 89.84 21.357872 2.858704 -8.89028 1 3988 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 94.53 21.04673 4.8847666 -12.208744 1 3989 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 94.53 21.669987 4.977812 -13.520208 1 3990 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 94.92 22.555473 3.754582 -13.757148 1 3991 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 94.53 22.521423 3.1579804 -14.833725 1 3992 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 93.36 22.494963 6.274391 -13.660683 1 3993 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 91.02 23.255112 6.2800756 -14.978868 1 3994 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 90.62 21.584013 7.4978566 -13.550214 1 3995 +ATOM N N . SER C0 3 89 . 89 SER C0 N 95.7 23.348452 3.3964825 -12.764231 1 3996 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 95.7 24.197847 2.2153997 -12.840321 1 3997 +ATOM C C . SER C0 3 89 . 89 SER C0 C 96.09 24.438295 1.6656725 -11.442051 1 3998 +ATOM O O . SER C0 3 89 . 89 SER C0 O 95.7 24.306007 2.3850846 -10.449083 1 3999 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 95.31 25.533411 2.528268 -13.524649 1 4000 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 92.19 26.312101 3.416081 -12.759947 1 4001 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 96.09 24.804651 0.38794208 -11.394754 1 4002 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 95.7 25.029675 -0.28212762 -10.118332 1 4003 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 96.09 26.050835 -1.3975657 -10.299028 1 4004 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 95.31 25.971905 -2.1554313 -11.270715 1 4005 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 94.92 23.713137 -0.8548268 -9.5721445 1 4006 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 92.19 23.84797 -1.6121743 -8.261454 1 4007 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 90.62 22.488428 -2.1534975 -7.8286276 1 4008 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 86.33 22.576056 -2.885557 -6.4923906 1 4009 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 82.81 21.254814 -3.3849301 -6.0834813 1 4010 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 96.48 27.008574 -1.4741395 -9.372345 1 4011 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 96.48 28.000818 -2.5415006 -9.402294 1 4012 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 96.48 28.172344 -3.1238842 -8.008221 1 4013 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 96.09 28.432186 -2.3857832 -7.0538583 1 4014 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 95.31 29.358047 -2.0364132 -9.919225 1 4015 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 92.97 30.414444 -3.1390333 -9.9861965 1 4016 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 90.23 31.71465 -2.6274288 -10.592001 1 4017 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 86.33 32.74964 -3.7453704 -10.689305 1 4018 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 81.64 34.002136 -3.2664468 -11.296234 1 4019 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 96.09 27.99634 -4.4223204 -7.9056983 1 4020 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 96.09 28.179195 -5.135248 -6.6425705 1 4021 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 96.48 29.377556 -6.058994 -6.7972445 1 4022 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 96.09 29.42828 -6.8624144 -7.7348557 1 4023 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 95.7 26.927376 -5.948821 -6.255967 1 4024 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 94.14 27.152569 -6.6663027 -4.930353 1 4025 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 93.75 25.705982 -5.039764 -6.182827 1 4026 +ATOM N N . THR C0 3 93 . 93 THR C0 N 96.48 30.34311 -5.94104 -5.902611 1 4027 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 96.48 31.548615 -6.7580233 -5.9492464 1 4028 +ATOM C C . THR C0 3 93 . 93 THR C0 C 96.48 31.706543 -7.515408 -4.6370378 1 4029 +ATOM O O . THR C0 3 93 . 93 THR C0 O 96.09 31.59952 -6.926733 -3.5602326 1 4030 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 95.7 32.796764 -5.893573 -6.200236 1 4031 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 92.58 32.611385 -5.1200514 -7.383935 1 4032 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 92.19 34.041504 -6.7628355 -6.3588686 1 4033 +ATOM N N . SER C0 3 94 . 94 SER C0 N 96.48 31.944786 -8.823427 -4.741055 1 4034 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 96.09 32.10048 -9.677543 -3.5644908 1 4035 +ATOM C C . SER C0 3 94 . 94 SER C0 C 96.09 33.578003 -9.975791 -3.3130288 1 4036 +ATOM O O . SER C0 3 94 . 94 SER C0 O 94.92 34.42828 -9.777382 -4.180915 1 4037 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 95.31 31.31739 -10.973474 -3.7312403 1 4038 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 87.89 29.9355 -10.720577 -3.8873272 1 4039 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 94.53 33.885666 -10.482386 -2.1145706 1 4040 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 94.14 35.26735 -10.753012 -1.7364614 1 4041 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 94.14 35.913063 -11.835857 -2.585527 1 4042 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 92.19 37.14118 -11.900363 -2.6680026 1 4043 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 92.58 35.337086 -11.123723 -0.24171625 1 4044 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 85.94 34.66797 -12.438335 0.11769005 1 4045 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 80.86 34.5781 -12.629768 1.6418381 1 4046 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 74.22 35.943283 -12.60262 2.2936642 1 4047 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 67.97 35.854553 -12.770301 3.7632618 1 4048 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 93.75 35.112373 -12.707424 -3.2120144 1 4049 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 93.75 35.673134 -13.740462 -4.083246 1 4050 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 94.14 35.95137 -13.210114 -5.4903226 1 4051 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 92.97 36.22573 -13.993824 -6.3970633 1 4052 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 92.97 34.740494 -14.959627 -4.141316 1 4053 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 92.58 33.406334 -14.6670265 -4.813324 1 4054 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 91.02 33.139282 -13.488874 -5.15292 1 4055 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 89.84 32.62203 -15.616503 -5.006327 1 4056 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 93.75 35.855408 -11.899747 -5.6579237 1 4057 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 93.75 36.107647 -11.182402 -6.910245 1 4058 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 94.92 34.998703 -11.320307 -7.944268 1 4059 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 94.14 35.14981 -10.856348 -9.078722 1 4060 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 91.8 37.459023 -11.596392 -7.5130496 1 4061 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 85.55 38.639786 -11.277595 -6.6062365 1 4062 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 80.47 39.964493 -11.621275 -7.283495 1 4063 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 73.44 41.12425 -11.291395 -6.346111 1 4064 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 65.62 42.41967 -11.623176 -6.970342 1 4065 +ATOM N N . SER C0 3 98 . 98 SER C0 N 95.7 33.883102 -11.95138 -7.5878043 1 4066 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 95.7 32.738182 -11.979807 -8.480963 1 4067 +ATOM C C . SER C0 3 98 . 98 SER C0 C 96.48 32.04171 -10.6200695 -8.411001 1 4068 +ATOM O O . SER C0 3 98 . 98 SER C0 O 96.09 32.132736 -9.912168 -7.401552 1 4069 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 94.92 31.762314 -13.099745 -8.0945835 1 4070 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 92.58 31.22425 -12.892847 -6.8088875 1 4071 +ATOM N N . SER C0 3 99 . 99 SER C0 N 96.48 31.36515 -10.266323 -9.507222 1 4072 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 96.48 30.688025 -8.97581 -9.524167 1 4073 +ATOM C C . SER C0 3 99 . 99 SER C0 C 96.48 29.510414 -8.978785 -10.489995 1 4074 +ATOM O O . SER C0 3 99 . 99 SER C0 O 96.48 29.419083 -9.828325 -11.380491 1 4075 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 96.09 31.653494 -7.844576 -9.899123 1 4076 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 94.14 32.05412 -7.942923 -11.245853 1 4077 +ATOM N N . THR C0 3 100 . 100 THR C0 N 96.48 28.604053 -8.028262 -10.2642565 1 4078 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 96.48 27.483047 -7.8061943 -11.164074 1 4079 +ATOM C C . THR C0 3 100 . 100 THR C0 C 96.48 27.419088 -6.3118715 -11.475538 1 4080 +ATOM O O . THR C0 3 100 . 100 THR C0 O 96.09 27.376335 -5.490861 -10.555334 1 4081 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 95.7 26.151382 -8.259575 -10.537084 1 4082 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 92.58 26.22269 -9.653306 -10.224174 1 4083 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 91.8 24.990759 -8.027561 -11.497644 1 4084 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 96.48 27.45335 -5.9922094 -12.759899 1 4085 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 96.48 27.365047 -4.60458 -13.207369 1 4086 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 96.88 26.097763 -4.4183826 -14.033928 1 4087 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 96.48 25.811455 -5.2255783 -14.919695 1 4088 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 95.7 28.57886 -4.2159286 -14.058096 1 4089 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 91.41 29.91882 -4.403557 -13.376239 1 4090 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 88.67 31.073545 -4.0979853 -14.304964 1 4091 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 85.16 31.832825 -5.018778 -14.644414 1 4092 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 84.77 31.217937 -2.9233434 -14.702713 1 4093 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 96.09 25.361237 -3.358218 -13.7321205 1 4094 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 96.09 24.11472 -3.0987182 -14.429043 1 4095 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 96.48 24.012735 -1.6341419 -14.841545 1 4096 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 96.09 24.445545 -0.74100256 -14.111592 1 4097 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 95.31 22.906454 -3.4449909 -13.548079 1 4098 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 93.36 22.784786 -4.9182663 -13.193175 1 4099 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 93.75 21.8115 -5.1580133 -12.059758 1 4100 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 91.02 20.746317 -5.7593207 -12.3021965 1 4101 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 91.8 22.118309 -4.731131 -10.926255 1 4102 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 95.7 23.430292 -1.4108605 -16.003567 1 4103 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 95.7 23.082525 -0.067539394 -16.457203 1 4104 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 96.09 21.590029 -0.03838804 -16.700077 1 4105 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 95.7 20.993252 -1.0478357 -17.09281 1 4106 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 95.31 23.851181 0.30821776 -17.729681 1 4107 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 91.8 25.337248 0.5097047 -17.495354 1 4108 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 89.06 26.024044 1.0898424 -18.73146 1 4109 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 83.59 27.503254 1.322945 -18.476574 1 4110 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 77.34 27.72456 2.3414528 -17.40623 1 4111 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 95.31 20.9814 1.1207283 -16.47649 1 4112 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 95.31 19.526327 1.2413738 -16.518162 1 4113 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 95.31 19.075577 2.2962375 -17.52388 1 4114 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 94.92 19.774618 3.2990525 -17.734959 1 4115 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 94.92 18.988445 1.5850697 -15.125808 1 4116 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 94.53 19.399187 0.5931234 -14.072313 1 4117 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 93.36 20.65422 0.65939707 -13.488752 1 4118 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 93.36 18.53814 -0.41719848 -13.684394 1 4119 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 92.19 21.040714 -0.2746032 -12.530971 1 4120 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 91.8 18.914894 -1.3413274 -12.728661 1 4121 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 92.58 20.169855 -1.2699087 -12.149773 1 4122 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 94.92 17.912292 2.0626507 -18.126825 1 4123 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 94.14 17.367414 3.0381482 -19.06377 1 4124 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 94.53 16.502098 4.0514812 -18.316769 1 4125 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 94.14 16.402235 4.0178194 -17.086506 1 4126 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 92.97 16.576504 2.355474 -20.188261 1 4127 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 92.58 15.337734 1.623169 -19.704056 1 4128 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 91.41 14.840283 1.8711771 -18.606403 1 4129 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 89.45 14.822983 0.7315296 -20.542747 1 4130 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 92.58 15.869949 4.970535 -19.041529 1 4131 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 91.8 15.113884 6.052821 -18.420216 1 4132 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 92.19 13.892169 5.556102 -17.661587 1 4133 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 90.62 13.375963 6.2821274 -16.805246 1 4134 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 90.62 14.692757 7.095771 -19.468853 1 4135 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 85.94 13.747854 6.5529356 -20.532293 1 4136 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 83.59 13.319038 7.6098404 -21.537668 1 4137 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 80.08 13.653126 8.793489 -21.337275 1 4138 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 79.69 12.631186 7.25986 -22.529919 1 4139 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 93.36 13.421862 4.3276033 -17.941374 1 4140 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 92.97 12.280908 3.7595606 -17.23571 1 4141 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 92.97 12.694482 3.0382361 -15.952153 1 4142 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 91.41 11.840685 2.5229044 -15.234222 1 4143 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 92.19 11.512943 2.791495 -18.13476 1 4144 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 91.41 10.883019 3.4355159 -19.351091 1 4145 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 90.23 10.108493 2.3967605 -20.164228 1 4146 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 87.89 9.501379 3.028457 -21.401318 1 4147 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 85.16 8.71162 2.0422106 -22.16622 1 4148 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 92.19 14.001899 2.997859 -15.688714 1 4149 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 91.8 14.483273 2.278164 -14.526825 1 4150 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 92.19 14.619483 0.78825873 -14.762547 1 4151 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 91.41 14.731825 0.018964551 -13.808167 1 4152 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 93.75 14.6234865 0.36817193 -16.042189 1 4153 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 93.75 14.771036 -1.0338494 -16.408285 1 4154 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 94.14 16.221264 -1.3267174 -16.77531 1 4155 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 93.75 16.91285 -0.4666103 -17.32215 1 4156 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 92.19 13.863256 -1.3794891 -17.599476 1 4157 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 89.06 12.387209 -1.098086 -17.343859 1 4158 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 87.89 11.56187 -1.069843 -18.616367 1 4159 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 84.77 10.331145 -1.2582434 -18.517124 1 4160 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 84.77 12.120808 -0.8484877 -19.707531 1 4161 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 94.53 16.657154 -2.530745 -16.476198 1 4162 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 94.92 18.025599 -2.922696 -16.810179 1 4163 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 95.31 18.179392 -2.9687529 -18.332159 1 4164 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 94.53 17.38155 -3.615276 -19.02009 1 4165 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 94.14 18.38007 -4.285715 -16.196392 1 4166 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 92.19 19.782629 -4.7095823 -16.635267 1 4167 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 91.41 18.294817 -4.2296467 -14.681054 1 4168 +ATOM N N . SER C0 3 111 . 111 SER C0 N 96.09 19.186394 -2.2830775 -18.845535 1 4169 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 96.09 19.463102 -2.2815883 -20.282406 1 4170 +ATOM C C . SER C0 3 111 . 111 SER C0 C 96.48 20.72256 -3.0712566 -20.611958 1 4171 +ATOM O O . SER C0 3 111 . 111 SER C0 O 96.09 20.836956 -3.5998907 -21.722378 1 4172 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 94.92 19.606022 -0.844905 -20.801392 1 4173 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 91.8 20.646378 -0.16257733 -20.12798 1 4174 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 96.88 21.659641 -3.1668525 -19.675808 1 4175 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 96.88 22.881903 -3.9491236 -19.820965 1 4176 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 96.88 23.209404 -4.6047187 -18.489468 1 4177 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 96.48 22.93695 -4.040656 -17.434341 1 4178 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 95.7 24.065899 -3.0657184 -20.251411 1 4179 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 91.41 23.866726 -2.3567011 -21.583496 1 4180 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 90.62 25.04986 -1.4741573 -21.958551 1 4181 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 87.11 24.882309 -0.57739174 -22.801704 1 4182 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 86.72 26.151876 -1.6808438 -21.402863 1 4183 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 97.27 23.802006 -5.7930975 -18.57816 1 4184 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 96.88 24.170273 -6.4956503 -17.356586 1 4185 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 97.27 25.369225 -7.400632 -17.61987 1 4186 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 96.88 25.390514 -8.130199 -18.619781 1 4187 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 96.09 22.99009 -7.324246 -16.82553 1 4188 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 92.97 23.242605 -8.000395 -15.485886 1 4189 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 91.02 21.977423 -8.702196 -15.001215 1 4190 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 87.11 22.181757 -9.315544 -13.61898 1 4191 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 83.59 20.941637 -9.952898 -13.141342 1 4192 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 97.27 26.362953 -7.320178 -16.74392 1 4193 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 97.27 27.545141 -8.171555 -16.84636 1 4194 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 97.66 27.758827 -8.860693 -15.508497 1 4195 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 97.27 27.90267 -8.198207 -14.4781065 1 4196 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 97.27 28.811684 -7.3599577 -17.217083 1 4197 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 96.09 28.612156 -6.6448336 -18.558567 1 4198 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 96.09 30.0371 -8.282984 -17.273853 1 4199 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 92.58 29.783493 -5.7496567 -18.945076 1 4200 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 96.88 27.774845 -10.195164 -15.546402 1 4201 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 96.88 28.036966 -10.986174 -14.352871 1 4202 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 97.27 29.424368 -11.599524 -14.495802 1 4203 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 96.88 29.665112 -12.377376 -15.421526 1 4204 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 96.48 26.985767 -12.094349 -14.161326 1 4205 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 94.14 25.585377 -11.481224 -14.053941 1 4206 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 94.14 27.31881 -12.936382 -12.923392 1 4207 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 91.02 24.461563 -12.503601 -14.088498 1 4208 +ATOM N N . THR C0 3 116 . 116 THR C0 N 96.48 30.32562 -11.224564 -13.604837 1 4209 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 96.88 31.673222 -11.776054 -13.608299 1 4210 +ATOM C C . THR C0 3 116 . 116 THR C0 C 96.48 31.778593 -12.820501 -12.506973 1 4211 +ATOM O O . THR C0 3 116 . 116 THR C0 O 96.48 31.5254 -12.52672 -11.335662 1 4212 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 96.48 32.728157 -10.674319 -13.396194 1 4213 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 94.14 32.605377 -9.696967 -14.431519 1 4214 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 93.75 34.138184 -11.260557 -13.420192 1 4215 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 95.7 32.132195 -14.055499 -12.893536 1 4216 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 95.7 32.280014 -15.124792 -11.924412 1 4217 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 95.7 33.647453 -15.059569 -11.26903 1 4218 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 94.92 34.555656 -14.381273 -11.753597 1 4219 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 95.7 32.075905 -16.471859 -12.609121 1 4220 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 94.53 30.69763 -16.62844 -13.227993 1 4221 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 93.75 30.68158 -17.842184 -14.137596 1 4222 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 92.97 29.362692 -18.063774 -14.738182 1 4223 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 92.97 29.176199 -18.332731 -16.018688 1 4224 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 90.23 30.211031 -18.382893 -16.855988 1 4225 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 90.62 27.951258 -18.535217 -16.48026 1 4226 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 94.92 33.78482 -15.77681 -10.159619 1 4227 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 94.53 35.041496 -15.751084 -9.420848 1 4228 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 94.53 36.223045 -16.228123 -10.26613 1 4229 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 93.75 37.354126 -15.7805395 -10.05311 1 4230 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 94.14 34.918663 -16.600119 -8.152915 1 4231 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 94.53 35.954285 -17.124342 -11.228994 1 4232 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 94.14 37.034706 -17.647602 -12.062374 1 4233 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 94.53 37.346676 -16.748894 -13.263483 1 4234 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 93.75 38.18378 -17.104595 -14.090381 1 4235 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 94.14 36.718075 -19.07029 -12.535518 1 4236 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 94.14 35.4897 -19.15233 -13.422248 1 4237 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 92.58 34.925137 -18.094372 -13.792763 1 4238 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 91.41 35.083565 -20.281977 -13.756897 1 4239 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 95.31 36.690353 -15.597462 -13.359646 1 4240 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 94.53 36.96226 -14.644329 -14.418415 1 4241 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 95.31 36.088554 -14.77483 -15.650164 1 4242 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 94.92 36.119774 -13.89891 -16.524792 1 4243 +ATOM N N . THR C0 3 121 . 121 THR C0 N 96.09 35.301617 -15.851837 -15.760513 1 4244 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 96.48 34.38783 -15.967051 -16.888046 1 4245 +ATOM C C . THR C0 3 121 . 121 THR C0 C 96.88 33.200237 -15.037234 -16.660069 1 4246 +ATOM O O . THR C0 3 121 . 121 THR C0 O 96.88 32.908195 -14.634164 -15.525375 1 4247 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 96.09 33.90519 -17.423313 -17.080788 1 4248 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 94.14 33.19854 -17.850468 -15.91854 1 4249 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 93.75 35.08828 -18.352894 -17.324726 1 4250 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 97.27 32.498985 -14.719198 -17.758787 1 4251 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 97.27 31.445446 -13.720545 -17.657467 1 4252 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 97.27 30.195568 -14.101432 -18.435892 1 4253 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 96.88 30.267235 -14.818489 -19.443817 1 4254 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 96.88 31.932549 -12.360296 -18.184057 1 4255 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 92.19 33.172035 -11.816032 -17.503746 1 4256 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 90.62 33.424603 -10.373577 -17.912453 1 4257 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 86.72 33.51906 -10.170462 -19.358532 1 4258 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 85.16 34.601227 -10.437323 -20.090313 1 4259 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 80.86 35.694607 -10.92059 -19.514835 1 4260 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 80.86 34.586784 -10.20236 -21.396109 1 4261 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 97.66 29.072302 -13.58583 -17.968447 1 4262 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 97.66 27.824467 -13.58526 -18.7103 1 4263 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 98.05 27.505407 -12.129145 -19.018469 1 4264 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 97.66 27.43267 -11.300421 -18.106678 1 4265 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 96.88 26.67746 -14.206208 -17.900614 1 4266 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 95.31 26.686169 -15.727468 -17.75074 1 4267 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 93.36 25.620338 -16.149569 -16.736408 1 4268 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 92.97 26.42759 -16.387506 -19.099499 1 4269 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 98.05 27.354856 -11.817106 -20.299637 1 4270 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 97.66 27.100662 -10.447775 -20.716965 1 4271 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 98.05 25.747065 -10.344996 -21.411253 1 4272 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 97.66 25.431671 -11.157061 -22.28325 1 4273 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 97.27 28.200365 -9.946389 -21.661736 1 4274 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 95.7 29.587349 -9.949954 -21.03072 1 4275 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 94.92 30.670908 -9.458389 -21.980747 1 4276 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 92.19 31.842653 -9.39732 -21.55885 1 4277 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 92.19 30.353382 -9.128293 -23.142464 1 4278 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 97.66 24.961975 -9.356721 -21.00138 1 4279 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 97.66 23.64927 -9.124443 -21.583889 1 4280 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 97.66 23.575705 -7.700553 -22.116106 1 4281 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 96.88 23.947948 -6.753677 -21.413546 1 4282 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 97.27 22.537975 -9.353609 -20.554482 1 4283 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 97.27 22.602287 -10.722115 -19.902481 1 4284 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 95.7 23.107101 -10.880207 -18.616673 1 4285 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 95.7 22.156956 -11.850476 -20.579332 1 4286 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 94.92 23.160778 -12.132351 -18.016651 1 4287 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 94.92 22.20689 -13.103651 -19.985533 1 4288 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 95.7 22.708147 -13.233332 -18.707478 1 4289 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 94.92 22.767487 -14.47377 -18.11839 1 4290 +ATOM N N . THR C0 3 126 . 126 THR C0 N 97.66 23.113102 -7.557912 -23.335518 1 4291 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 97.27 22.956501 -6.240578 -23.94479 1 4292 +ATOM C C . THR C0 3 126 . 126 THR C0 C 97.27 21.601679 -6.153926 -24.64249 1 4293 +ATOM O O . THR C0 3 126 . 126 THR C0 O 96.48 20.971478 -7.1766644 -24.94441 1 4294 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 96.48 24.081524 -5.940551 -24.958702 1 4295 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 94.53 24.092163 -6.965722 -25.95517 1 4296 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 93.36 25.441582 -5.8867145 -24.268381 1 4297 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 96.48 21.164696 -4.9347086 -24.900356 1 4298 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 96.09 19.903053 -4.7210884 -25.59053 1 4299 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 96.48 18.71787 -5.330259 -24.872437 1 4300 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 95.7 17.813656 -5.855949 -25.516369 1 4301 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 94.92 18.726587 -5.2648106 -23.545033 1 4302 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 95.31 17.631594 -5.845282 -22.774464 1 4303 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 94.53 16.368576 -5.004621 -22.97842 1 4304 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 93.75 16.387495 -3.7804341 -22.79903 1 4305 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 95.7 17.99376 -5.931712 -21.284086 1 4306 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 94.92 19.253845 -6.7939563 -21.105467 1 4307 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 94.53 16.824158 -6.5197196 -20.489304 1 4308 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 93.75 19.779346 -6.8218775 -19.679562 1 4309 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 93.75 15.30055 -5.6801324 -23.372723 1 4310 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 92.97 14.022604 -5.0182962 -23.641342 1 4311 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 93.36 13.159775 -4.959999 -22.382906 1 4312 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 92.19 13.501596 -5.517482 -21.333014 1 4313 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 92.19 13.267262 -5.746606 -24.74894 1 4314 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 87.11 14.082092 -6.0056324 -26.005838 1 4315 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 82.42 14.470435 -4.713662 -26.717812 1 4316 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 76.56 15.221136 -5.008317 -28.004063 1 4317 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 69.92 15.593477 -3.779163 -28.696644 1 4318 +ATOM N N . SER C0 3 130 . 130 SER C0 N 91.02 12.013521 -4.273875 -22.492 1 4319 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 89.84 11.110236 -4.117687 -21.35292 1 4320 +ATOM C C . SER C0 3 130 . 130 SER C0 C 90.23 10.606268 -5.4591274 -20.820457 1 4321 +ATOM O O . SER C0 3 130 . 130 SER C0 O 88.28 10.364155 -5.602186 -19.623703 1 4322 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 87.89 9.926514 -3.2306354 -21.73965 1 4323 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 84.38 10.358404 -1.9164426 -22.064455 1 4324 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 91.41 10.459616 -6.4481273 -21.71899 1 4325 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 90.62 9.955293 -7.7555695 -21.2995 1 4326 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 90.62 11.060818 -8.668245 -20.776823 1 4327 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 89.45 10.80874 -9.842644 -20.50528 1 4328 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 89.84 9.202606 -8.441378 -22.448084 1 4329 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 90.23 10.089091 -8.75483 -23.646397 1 4330 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 88.67 11.298684 -8.439632 -23.610287 1 4331 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 86.72 9.568127 -9.31625 -24.629847 1 4332 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 93.36 12.266956 -8.138169 -20.64336 1 4333 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 93.36 13.376013 -8.91215 -20.113548 1 4334 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 94.53 14.177896 -9.666892 -21.146261 1 4335 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 93.75 15.129234 -10.363076 -20.779572 1 4336 +ATOM N N . SER C0 3 133 . 133 SER C0 N 96.09 13.832857 -9.5633955 -22.421398 1 4337 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 96.09 14.5683 -10.253866 -23.47105 1 4338 +ATOM C C . SER C0 3 133 . 133 SER C0 C 96.48 15.747893 -9.405899 -23.944008 1 4339 +ATOM O O . SER C0 3 133 . 133 SER C0 O 96.09 15.753024 -8.179328 -23.78828 1 4340 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 95.31 13.643433 -10.585336 -24.645184 1 4341 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 91.02 13.194893 -9.409958 -25.288445 1 4342 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 96.88 16.72377 -10.090429 -24.517128 1 4343 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 97.27 17.894112 -9.392799 -25.01128 1 4344 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 97.66 18.919582 -10.367903 -25.5489 1 4345 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 97.27 18.644527 -11.560234 -25.707249 1 4346 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 97.66 20.110104 -9.851838 -25.85368 1 4347 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 97.66 21.214886 -10.678611 -26.32536 1 4348 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 98.05 22.03419 -11.172401 -25.144833 1 4349 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 97.66 22.13367 -10.480436 -24.126888 1 4350 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 96.88 22.107237 -9.889767 -27.291082 1 4351 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 91.02 21.405703 -9.492897 -28.579275 1 4352 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 87.89 22.330807 -8.654856 -29.475159 1 4353 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 80.08 23.51242 -9.470494 -29.98125 1 4354 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 74.22 24.371346 -8.68903 -30.892319 1 4355 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 98.05 22.605827 -12.350868 -25.29649 1 4356 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 98.05 23.403515 -12.927788 -24.224358 1 4357 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 98.05 24.71812 -13.464916 -24.779812 1 4358 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 97.66 24.767635 -13.964186 -25.902176 1 4359 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 97.66 22.640423 -14.040738 -23.517685 1 4360 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 97.66 25.758507 -13.365771 -23.986197 1 4361 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 97.66 27.071568 -13.872005 -24.360565 1 4362 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 97.66 27.739536 -14.434397 -23.117893 1 4363 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 97.66 27.782057 -13.76399 -22.082699 1 4364 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 97.66 27.93304 -12.753656 -24.962479 1 4365 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 92.19 29.338768 -13.193746 -25.337708 1 4366 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 90.23 30.227448 -12.003976 -25.71753 1 4367 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 83.98 29.72893 -11.279254 -26.957996 1 4368 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 79.3 30.639996 -10.1737385 -27.330425 1 4369 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 97.66 28.236664 -15.656029 -23.225574 1 4370 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 97.66 29.017761 -16.231688 -22.137913 1 4371 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 98.05 30.47828 -16.2169 -22.556604 1 4372 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 97.27 30.858442 -16.88577 -23.524061 1 4373 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 96.88 28.560183 -17.656143 -21.810028 1 4374 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 96.09 29.309778 -18.247482 -20.607948 1 4375 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 95.31 28.807861 -19.606876 -20.181694 1 4376 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 93.36 28.53564 -20.441954 -21.05849 1 4377 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 92.97 28.681616 -19.853113 -18.95919 1 4378 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 97.27 31.266163 -15.431904 -21.871881 1 4379 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 97.27 32.68162 -15.294195 -22.181164 1 4380 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 96.88 33.46109 -16.308512 -21.353088 1 4381 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 96.09 33.63108 -16.14187 -20.141865 1 4382 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 96.88 33.17848 -13.860367 -21.90373 1 4383 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 94.92 34.641266 -13.724237 -22.318682 1 4384 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 94.53 32.311024 -12.84384 -22.641872 1 4385 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 96.48 33.882538 -17.355156 -22.014305 1 4386 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 96.09 34.664635 -18.399101 -21.375301 1 4387 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 95.31 36.143303 -18.183956 -21.705206 1 4388 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 94.14 36.497055 -17.237814 -22.41214 1 4389 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 95.7 34.19581 -19.778296 -21.846775 1 4390 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 94.92 32.734818 -20.084785 -21.54122 1 4391 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 93.36 32.229637 -21.262856 -22.360725 1 4392 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 92.58 32.55302 -20.337563 -20.048359 1 4393 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 94.14 36.99402 -19.036251 -21.206215 1 4394 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 92.58 38.419487 -18.869972 -21.4618 1 4395 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 92.58 38.74962 -19.314484 -22.895885 1 4396 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 89.84 38.68666 -20.49472 -23.214989 1 4397 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 90.23 39.25751 -19.665236 -20.460882 1 4398 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 82.81 40.752914 -19.370249 -20.56961 1 4399 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 76.56 41.537964 -20.036467 -19.454588 1 4400 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 71.48 43.013065 -19.670784 -19.550991 1 4401 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 64.45 43.801975 -20.26416 -18.465775 1 4402 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 93.75 39.04126 -18.335043 -23.727726 1 4403 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 93.36 39.448654 -18.624784 -25.0834 1 4404 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 94.14 38.34619 -18.631306 -26.125154 1 4405 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 92.58 38.64435 -18.691946 -27.32682 1 4406 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 96.09 37.101044 -18.598198 -25.723465 1 4407 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 96.48 35.9944 -18.587042 -26.683334 1 4408 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 96.48 34.7277 -18.094643 -26.00945 1 4409 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 96.09 34.66932 -17.952747 -24.78141 1 4410 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 95.7 35.778717 -19.977444 -27.297016 1 4411 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 95.31 35.361748 -21.056068 -26.315628 1 4412 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 93.75 36.28897 -21.64094 -25.457378 1 4413 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 92.97 34.04787 -21.506638 -26.270807 1 4414 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 92.19 35.914055 -22.633743 -24.574419 1 4415 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 91.41 33.665104 -22.504944 -25.39156 1 4416 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 92.58 34.60315 -23.062927 -24.543573 1 4417 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 92.19 34.234722 -24.051258 -23.666641 1 4418 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 97.27 33.710197 -17.833601 -26.82455 1 4419 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 97.27 32.444664 -17.34309 -26.300798 1 4420 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 97.27 31.290194 -18.150608 -26.872757 1 4421 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 96.48 31.388308 -18.734997 -27.956861 1 4422 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 96.88 32.230835 -15.844155 -26.62498 1 4423 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 94.14 32.012177 -15.637226 -28.113602 1 4424 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 93.36 33.41063 -15.012689 -26.14241 1 4425 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 97.66 30.216812 -18.190495 -26.11306 1 4426 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 97.66 28.955532 -18.743011 -26.57428 1 4427 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 97.66 27.960472 -17.592102 -26.618397 1 4428 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 97.66 27.892237 -16.789436 -25.6809 1 4429 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 97.27 28.439259 -19.831825 -25.626995 1 4430 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 95.31 29.371809 -21.016006 -25.359402 1 4431 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 92.58 28.693092 -22.014887 -24.431229 1 4432 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 92.19 29.789072 -21.691952 -26.654919 1 4433 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 98.05 27.214642 -17.493984 -27.704275 1 4434 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 97.66 26.26198 -16.409328 -27.864048 1 4435 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 98.05 24.841661 -16.945602 -27.976473 1 4436 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 97.27 24.624252 -18.070814 -28.426746 1 4437 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 96.88 26.602379 -15.557817 -29.08609 1 4438 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 90.62 27.906576 -14.80052 -28.935623 1 4439 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 87.5 28.144901 -13.820903 -30.067108 1 4440 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 83.59 28.120266 -12.601255 -29.814926 1 4441 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 83.59 28.361721 -14.277327 -31.196426 1 4442 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 97.66 23.890013 -16.120617 -27.53377 1 4443 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 97.66 22.50438 -16.549253 -27.573685 1 4444 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 98.05 21.555532 -15.444962 -27.1691 1 4445 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 97.27 21.778376 -14.277495 -27.497824 1 4446 +ATOM N N . THR C0 3 148 . 148 THR C0 N 97.66 20.509804 -15.829216 -26.474915 1 4447 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 97.66 19.475716 -14.875391 -26.108892 1 4448 +ATOM C C . THR C0 3 148 . 148 THR C0 C 98.05 19.11901 -14.974433 -24.628874 1 4449 +ATOM O O . THR C0 3 148 . 148 THR C0 O 97.66 19.362743 -15.986414 -23.97713 1 4450 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 97.27 18.192894 -15.087141 -26.936876 1 4451 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 92.19 17.71529 -16.420334 -26.722311 1 4452 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 91.41 18.462551 -14.883139 -28.424984 1 4453 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 97.27 18.553936 -13.889045 -24.134129 1 4454 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 97.27 18.046402 -13.809052 -22.776844 1 4455 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 97.27 16.53447 -13.6586 -22.821474 1 4456 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 96.88 16.009502 -12.882892 -23.634485 1 4457 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 96.48 18.668468 -12.610344 -22.046135 1 4458 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 95.7 18.042957 -12.219164 -20.701809 1 4459 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 94.14 18.523129 -10.833899 -20.28453 1 4460 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 94.14 18.36697 -13.262071 -19.641003 1 4461 +ATOM N N . THR C0 3 150 . 150 THR C0 N 95.7 15.835337 -14.420481 -22.009674 1 4462 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 95.31 14.4161 -14.216753 -21.769278 1 4463 +ATOM C C . THR C0 3 150 . 150 THR C0 C 94.92 14.2465 -13.933493 -20.284246 1 4464 +ATOM O O . THR C0 3 150 . 150 THR C0 O 93.36 15.208671 -13.973897 -19.516474 1 4465 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 94.53 13.56961 -15.441853 -22.173906 1 4466 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 90.62 13.851625 -16.524036 -21.291855 1 4467 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 89.45 13.862426 -15.851458 -23.614897 1 4468 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 91.41 13.017561 -13.637372 -19.877405 1 4469 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 90.62 12.768874 -13.357488 -18.472477 1 4470 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 91.41 13.051363 -14.571204 -17.593903 1 4471 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 89.45 13.2915945 -14.425755 -16.390112 1 4472 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 88.28 11.325682 -12.887448 -18.278782 1 4473 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 92.58 13.039153 -15.75922 -18.199606 1 4474 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 92.58 13.19199 -16.99625 -17.440933 1 4475 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 93.75 14.594399 -17.598831 -17.496878 1 4476 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 92.58 15.024024 -18.239182 -16.536835 1 4477 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 90.23 12.189312 -18.041111 -17.924248 1 4478 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 82.42 10.735685 -17.66047 -17.66811 1 4479 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 77.34 9.761475 -18.72571 -18.129221 1 4480 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 72.27 8.543547 -18.554905 -17.936035 1 4481 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 70.31 10.197063 -19.7473 -18.69662 1 4482 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 96.09 15.291424 -17.410288 -18.617474 1 4483 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 96.48 16.579506 -18.08554 -18.736444 1 4484 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 96.88 17.446392 -17.478607 -19.825623 1 4485 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 96.09 16.978474 -16.702858 -20.66098 1 4486 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 95.31 16.365438 -19.56931 -19.04243 1 4487 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 92.97 15.694859 -19.837307 -20.380863 1 4488 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 90.62 15.487181 -21.323917 -20.596684 1 4489 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 86.33 14.750557 -21.567493 -21.9119 1 4490 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 80.86 14.499935 -23.000204 -22.13544 1 4491 +ATOM N N . THR C0 3 154 . 154 THR C0 N 97.27 18.706646 -17.881382 -19.768055 1 4492 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 97.66 19.668304 -17.55849 -20.805344 1 4493 +ATOM C C . THR C0 3 154 . 154 THR C0 C 97.66 19.826746 -18.798927 -21.680305 1 4494 +ATOM O O . THR C0 3 154 . 154 THR C0 O 97.27 20.003988 -19.90056 -21.158283 1 4495 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 97.66 21.036558 -17.171217 -20.209057 1 4496 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 95.7 20.890472 -16.03447 -19.367683 1 4497 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 96.09 22.060131 -16.884836 -21.296627 1 4498 +ATOM N N . THR C0 3 155 . 155 THR C0 N 97.66 19.7344 -18.63959 -22.996925 1 4499 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 98.05 19.911407 -19.756556 -23.91502 1 4500 +ATOM C C . THR C0 3 155 . 155 THR C0 C 98.05 21.082855 -19.44115 -24.844128 1 4501 +ATOM O O . THR C0 3 155 . 155 THR C0 O 97.66 21.019468 -18.491003 -25.62699 1 4502 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 97.66 18.639194 -20.015102 -24.738518 1 4503 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 93.75 17.563438 -20.329937 -23.852335 1 4504 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 93.75 18.853813 -21.181461 -25.703465 1 4505 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 98.05 22.147234 -20.242628 -24.739548 1 4506 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 98.05 23.34653 -20.06363 -25.546783 1 4507 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 98.05 23.37439 -21.155773 -26.610708 1 4508 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 97.66 23.247427 -22.339664 -26.290442 1 4509 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 98.05 24.593014 -20.12022 -24.66803 1 4510 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 96.88 24.586697 -19.08133 -23.538765 1 4511 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 95.7 25.506538 -19.49402 -22.404068 1 4512 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 94.92 24.950245 -17.710255 -24.077284 1 4513 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 97.66 23.54005 -20.755428 -27.86366 1 4514 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 97.27 23.360603 -21.67385 -28.982494 1 4515 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 97.66 24.652676 -21.847584 -29.784025 1 4516 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 97.27 25.354004 -20.873596 -30.062948 1 4517 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 96.88 22.227993 -21.187622 -29.910097 1 4518 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 93.36 22.113201 -22.07887 -31.142565 1 4519 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 92.97 20.907166 -21.145395 -29.157158 1 4520 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 97.27 24.937588 -23.089458 -30.145344 1 4521 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 97.66 26.03751 -23.41298 -31.044834 1 4522 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 97.66 25.448246 -24.213598 -32.20041 1 4523 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 97.27 24.808056 -25.246582 -31.976063 1 4524 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 96.88 27.13501 -24.234875 -30.343021 1 4525 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 93.75 28.260435 -24.551737 -31.325283 1 4526 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 93.36 27.66872 -23.491135 -29.13115 1 4527 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 96.88 25.643301 -23.742962 -33.413273 1 4528 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 96.48 25.102417 -24.410458 -34.58493 1 4529 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 96.48 26.21707 -25.016819 -35.4354 1 4530 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 95.31 27.252058 -24.381556 -35.658203 1 4531 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 95.31 24.277042 -23.44265 -35.44098 1 4532 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 88.67 23.027887 -22.922894 -34.75734 1 4533 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 84.38 22.250977 -21.989466 -35.680733 1 4534 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 78.12 20.997833 -21.472034 -34.996582 1 4535 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 71.88 20.248356 -20.536695 -35.863136 1 4536 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 96.09 25.99249 -26.233229 -35.899887 1 4537 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 96.09 26.91566 -26.91869 -36.800224 1 4538 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 96.48 26.081478 -27.757961 -37.759308 1 4539 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 95.7 25.53926 -28.786926 -37.37155 1 4540 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 94.92 27.894264 -27.793173 -36.0248 1 4541 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 91.02 28.828423 -28.606165 -36.914364 1 4542 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 89.06 29.703938 -27.77738 -37.82248 1 4543 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 85.16 30.03083 -26.615433 -37.481277 1 4544 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 83.98 30.078325 -28.275467 -38.899673 1 4545 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 95.31 25.98035 -27.283075 -38.99399 1 4546 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 95.31 25.159122 -27.97173 -39.969612 1 4547 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 95.7 23.704178 -28.004116 -39.538628 1 4548 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 94.53 23.105335 -26.961046 -39.272926 1 4549 +ATOM N N . THR C0 3 162 . 162 THR C0 N 96.48 23.150581 -29.208965 -39.458824 1 4550 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 96.48 21.764153 -29.37843 -39.05069 1 4551 +ATOM C C . THR C0 3 162 . 162 THR C0 C 96.88 21.595425 -29.479416 -37.536835 1 4552 +ATOM O O . THR C0 3 162 . 162 THR C0 O 96.09 20.462765 -29.606373 -37.04167 1 4553 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 96.09 21.156466 -30.636658 -39.693665 1 4554 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 92.97 21.911503 -31.78237 -39.27822 1 4555 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 92.19 21.18924 -30.56511 -41.224403 1 4556 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 96.88 22.705292 -29.430273 -36.817215 1 4557 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 96.88 22.684227 -29.634674 -35.37326 1 4558 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 97.27 22.698055 -28.299366 -34.62513 1 4559 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 96.88 23.473326 -27.399685 -34.960316 1 4560 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 96.48 23.873854 -30.5029 -34.91774 1 4561 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 94.14 23.834879 -30.716984 -33.406296 1 4562 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 93.36 23.875423 -31.84151 -35.638306 1 4563 +ATOM N N . THR C0 3 164 . 164 THR C0 N 97.27 21.836424 -28.191004 -33.624115 1 4564 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 97.27 21.816525 -27.0263 -32.74874 1 4565 +ATOM C C . THR C0 3 164 . 164 THR C0 C 96.88 21.944525 -27.49736 -31.307673 1 4566 +ATOM O O . THR C0 3 164 . 164 THR C0 O 96.88 21.12201 -28.288265 -30.835697 1 4567 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 96.88 20.517094 -26.220684 -32.919037 1 4568 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 91.41 20.430088 -25.728241 -34.258026 1 4569 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 90.62 20.483208 -25.04331 -31.954544 1 4570 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 97.66 22.987484 -27.02872 -30.62175 1 4571 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 97.66 23.167244 -27.307 -29.207699 1 4572 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 97.66 22.752527 -26.072784 -28.426527 1 4573 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 97.27 23.193937 -24.95776 -28.739315 1 4574 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 97.27 24.62368 -27.667229 -28.90451 1 4575 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 95.31 24.963356 -28.0087 -27.459713 1 4576 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 92.58 25.904575 -29.210941 -27.395077 1 4577 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 92.19 25.574503 -26.802954 -26.742332 1 4578 +ATOM N N . SER C0 3 166 . 166 SER C0 N 97.66 21.894173 -26.252502 -27.437277 1 4579 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 97.66 21.413963 -25.14455 -26.624796 1 4580 +ATOM C C . SER C0 3 166 . 166 SER C0 C 97.66 21.793701 -25.361023 -25.16737 1 4581 +ATOM O O . SER C0 3 166 . 166 SER C0 O 97.66 21.40997 -26.362019 -24.5635 1 4582 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 96.88 19.897032 -25.00285 -26.75177 1 4583 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 89.06 19.525616 -24.71868 -28.09287 1 4584 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 97.66 22.557453 -24.427216 -24.627256 1 4585 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 97.66 22.92526 -24.445765 -23.219175 1 4586 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 98.05 22.032236 -23.454687 -22.490955 1 4587 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 97.66 22.038734 -22.2551 -22.807552 1 4588 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 97.27 24.404373 -24.071548 -23.035658 1 4589 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 96.48 24.829304 -23.965519 -21.580833 1 4590 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 94.92 26.27928 -23.517298 -21.475464 1 4591 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 93.36 26.673004 -23.297953 -20.021786 1 4592 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 91.41 28.046038 -22.825127 -19.913326 1 4593 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 97.27 21.261185 -23.939724 -21.547348 1 4594 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 97.27 20.323755 -23.105165 -20.802078 1 4595 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 97.27 20.831314 -22.838776 -19.391796 1 4596 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 96.48 21.252937 -23.754665 -18.688255 1 4597 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 97.27 18.948822 -23.771347 -20.734802 1 4598 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 94.53 18.351341 -24.002256 -22.103127 1 4599 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 90.23 18.4007 -23.122082 -22.968643 1 4600 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 89.06 17.785267 -25.170956 -22.33373 1 4601 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 96.88 20.802204 -21.571758 -18.990675 1 4602 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 97.27 21.146778 -21.174229 -17.632881 1 4603 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 96.88 19.893747 -20.551537 -17.019709 1 4604 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 96.48 19.451818 -19.483513 -17.454876 1 4605 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 96.88 22.31726 -20.16938 -17.607666 1 4606 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 95.31 23.529705 -20.752838 -18.33613 1 4607 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 95.31 22.681486 -19.828388 -16.163467 1 4608 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 92.58 24.675766 -19.772964 -18.49068 1 4609 +ATOM N N . SER C0 3 170 . 170 SER C0 N 95.7 19.312378 -21.232643 -16.046223 1 4610 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 94.92 18.082413 -20.767895 -15.426644 1 4611 +ATOM C C . SER C0 3 170 . 170 SER C0 C 95.31 18.341492 -19.583288 -14.502965 1 4612 +ATOM O O . SER C0 3 170 . 170 SER C0 O 94.14 19.490017 -19.20683 -14.254755 1 4613 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 94.53 17.42066 -21.90415 -14.646023 1 4614 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 89.45 18.180656 -22.21976 -13.497556 1 4615 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 92.19 17.270895 -18.991608 -13.990221 1 4616 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 91.02 17.389223 -17.875015 -13.069081 1 4617 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 91.41 18.15821 -18.263325 -11.815208 1 4618 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 89.45 18.837679 -17.425163 -11.216835 1 4619 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 89.45 15.999214 -17.344425 -12.692006 1 4620 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 82.81 15.269165 -16.663874 -13.834808 1 4621 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 78.52 13.840164 -16.294065 -13.44166 1 4622 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 71.88 13.817252 -15.278287 -12.306782 1 4623 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 64.45 12.434519 -14.905245 -11.93231 1 4624 +ATOM N N . SER C0 3 172 . 172 SER C0 N 91.8 18.050568 -19.530708 -11.42484 1 4625 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 90.23 18.759365 -20.025524 -10.241932 1 4626 +ATOM C C . SER C0 3 172 . 172 SER C0 C 90.62 20.211655 -20.37775 -10.540085 1 4627 +ATOM O O . SER C0 3 172 . 172 SER C0 O 89.06 20.956161 -20.733503 -9.620224 1 4628 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 89.06 18.043427 -21.249321 -9.669876 1 4629 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 85.94 18.074917 -22.326712 -10.576088 1 4630 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 91.41 20.614845 -20.284908 -11.796513 1 4631 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 91.02 21.97858 -20.60833 -12.184089 1 4632 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 91.41 22.179426 -22.040731 -12.604721 1 4633 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 90.23 23.296957 -22.435944 -12.937654 1 4634 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 94.92 21.11137 -22.843803 -12.613918 1 4635 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 94.53 21.217525 -24.247793 -13.002814 1 4636 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 95.7 21.399263 -24.35865 -14.509228 1 4637 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 94.92 20.69572 -23.700727 -15.280403 1 4638 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 92.97 19.976791 -25.025812 -12.55677 1 4639 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 85.16 20.060661 -26.50505 -12.871253 1 4640 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 79.3 18.847975 -27.287386 -12.390204 1 4641 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 74.61 18.060982 -26.732847 -11.58856 1 4642 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 72.27 18.675594 -28.452736 -12.796558 1 4643 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 96.09 22.325096 -25.221512 -14.918264 1 4644 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 96.09 22.642017 -25.411444 -16.32499 1 4645 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 96.48 22.00082 -26.688686 -16.848713 1 4646 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 95.7 22.004677 -27.718134 -16.173107 1 4647 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 95.31 24.16812 -25.456814 -16.553059 1 4648 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 92.19 24.48804 -25.783194 -18.009708 1 4649 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 91.41 24.806416 -24.143608 -16.146154 1 4650 +ATOM N N . SER C0 3 176 . 176 SER C0 N 97.66 21.448597 -26.616379 -18.039299 1 4651 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 97.27 20.955431 -27.789423 -18.749296 1 4652 +ATOM C C . SER C0 3 176 . 176 SER C0 C 97.66 21.314846 -27.62296 -20.218363 1 4653 +ATOM O O . SER C0 3 176 . 176 SER C0 O 96.88 21.41499 -26.498022 -20.718502 1 4654 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 96.09 19.446365 -27.971394 -18.58115 1 4655 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 88.67 18.744413 -26.915592 -19.189617 1 4656 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 97.66 21.546581 -28.733124 -20.894615 1 4657 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 97.66 21.949223 -28.679255 -22.29258 1 4658 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 97.66 21.072315 -29.624718 -23.104187 1 4659 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 96.88 20.79219 -30.747124 -22.680674 1 4660 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 97.27 23.436453 -29.049093 -22.47778 1 4661 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 94.53 23.855938 -28.885357 -23.932056 1 4662 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 93.75 24.315926 -28.19673 -21.574734 1 4663 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 97.27 20.641228 -29.168446 -24.259993 1 4664 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 97.27 19.833702 -29.98878 -25.144392 1 4665 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 97.27 20.382572 -29.879147 -26.56245 1 4666 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 96.88 21.062557 -28.91231 -26.913725 1 4667 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 96.48 18.35762 -29.578186 -25.105568 1 4668 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 87.5 18.096771 -28.142668 -25.51085 1 4669 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 83.2 16.653599 -27.722832 -25.286709 1 4670 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 79.3 15.890081 -28.501085 -24.673903 1 4671 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 78.91 16.27443 -26.611485 -25.707735 1 4672 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 96.88 20.073421 -30.90325 -27.370092 1 4673 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 96.88 20.547817 -30.949642 -28.74506 1 4674 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 96.88 19.392525 -31.262821 -29.678001 1 4675 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 96.09 18.575375 -32.137684 -29.387516 1 4676 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 96.09 21.653494 -32.00457 -28.889633 1 4677 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 94.14 22.347063 -32.139244 -30.247759 1 4678 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 91.41 23.808681 -32.504105 -30.06866 1 4679 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 91.02 21.639666 -33.153435 -31.145805 1 4680 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 97.27 19.324472 -30.532341 -30.782297 1 4681 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 96.48 18.310802 -30.769188 -31.795311 1 4682 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 96.48 18.982853 -30.906956 -33.156754 1 4683 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 95.7 19.84505 -30.09639 -33.509068 1 4684 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 94.92 17.285091 -29.63275 -31.820797 1 4685 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 87.11 16.189709 -29.858063 -32.8376 1 4686 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 80.86 15.470644 -30.853065 -32.766132 1 4687 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 79.69 16.043034 -28.968628 -33.786823 1 4688 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 96.88 18.607231 -31.937767 -33.901253 1 4689 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 96.88 19.178719 -32.186844 -35.21734 1 4690 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 96.88 18.04586 -32.322083 -36.232777 1 4691 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 96.09 17.173805 -33.172447 -36.074764 1 4692 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 96.48 20.038353 -33.457813 -35.195057 1 4693 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 96.48 20.877613 -33.62732 -36.451797 1 4694 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 93.75 20.734737 -32.821236 -37.401264 1 4695 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 92.97 21.69089 -34.579346 -36.501965 1 4696 +ATOM N N . THR C0 3 182 . 182 THR C0 N 96.48 18.061317 -31.491833 -37.269142 1 4697 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 96.09 17.031567 -31.529675 -38.29765 1 4698 +ATOM C C . THR C0 3 182 . 182 THR C0 C 96.09 17.362713 -32.50418 -39.42249 1 4699 +ATOM O O . THR C0 3 182 . 182 THR C0 O 94.14 16.6183 -32.590813 -40.407776 1 4700 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 95.31 16.80045 -30.123686 -38.896004 1 4701 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 92.97 18.028492 -29.638819 -39.42958 1 4702 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 91.8 16.300552 -29.160915 -37.82455 1 4703 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 95.31 18.474966 -33.239006 -39.295464 1 4704 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 94.92 18.868294 -34.231728 -40.298954 1 4705 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 94.92 17.7556 -35.26904 -40.43492 1 4706 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 93.75 17.290955 -35.816048 -39.440044 1 4707 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 93.75 20.179543 -34.898094 -39.889164 1 4708 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 91.41 20.833767 -35.672287 -41.02179 1 4709 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 88.67 20.115269 -36.170425 -41.917225 1 4710 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 87.11 22.078686 -35.790585 -41.018368 1 4711 +ATOM N N . SER C0 3 184 . 184 SER C0 N 93.36 17.340837 -35.549458 -41.689285 1 4712 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 92.58 16.248749 -36.49479 -41.918457 1 4713 +ATOM C C . SER C0 3 184 . 184 SER C0 C 92.97 16.7197 -37.94453 -41.927197 1 4714 +ATOM O O . SER C0 3 184 . 184 SER C0 O 90.62 15.889418 -38.858257 -41.87865 1 4715 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 91.02 15.548201 -36.175728 -43.24297 1 4716 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 85.16 16.46135 -36.259525 -44.32186 1 4717 +ATOM N N . SER C0 3 185 . 185 SER C0 N 92.97 18.029308 -38.194122 -42.00809 1 4718 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 92.97 18.574833 -39.548294 -42.06974 1 4719 +ATOM C C . SER C0 3 185 . 185 SER C0 C 92.97 18.826916 -40.099945 -40.67 1 4720 +ATOM O O . SER C0 3 185 . 185 SER C0 O 91.8 19.583359 -39.509224 -39.8964 1 4721 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 91.8 19.865257 -39.567318 -42.875916 1 4722 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 87.5 20.475582 -40.846947 -42.82785 1 4723 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 91.41 18.242277 -41.251526 -40.37646 1 4724 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 91.02 18.434269 -41.88433 -39.07666 1 4725 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 92.19 19.879318 -42.32065 -38.870163 1 4726 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 90.23 20.33587 -42.44376 -37.73015 1 4727 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 89.06 17.501125 -43.080276 -38.931244 1 4728 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 92.58 20.604094 -42.561665 -39.96558 1 4729 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 92.58 21.97881 -43.033443 -39.874763 1 4730 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 92.97 22.947319 -41.923912 -39.45986 1 4731 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 91.41 24.018406 -42.21357 -38.92981 1 4732 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 91.41 22.409937 -43.63893 -41.207375 1 4733 +ATOM N N . THR C0 3 188 . 188 THR C0 N 93.75 22.584309 -40.670334 -39.688858 1 4734 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 93.75 23.47395 -39.556828 -39.37563 1 4735 +ATOM C C . THR C0 3 188 . 188 THR C0 C 94.92 22.873837 -38.567673 -38.374542 1 4736 +ATOM O O . THR C0 3 188 . 188 THR C0 O 94.14 23.59083 -37.68726 -37.88464 1 4737 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 92.19 23.863354 -38.79413 -40.656624 1 4738 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 87.5 22.669388 -38.345844 -41.301727 1 4739 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 85.94 24.64788 -39.693405 -41.60661 1 4740 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 95.31 21.593904 -38.718285 -38.07682 1 4741 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 95.31 20.9368 -37.78115 -37.160526 1 4742 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 95.7 21.483139 -37.940342 -35.7389 1 4743 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 94.92 21.541573 -39.05175 -35.20409 1 4744 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 94.53 19.419464 -38.00701 -37.169456 1 4745 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 92.19 18.64292 -36.990906 -36.351593 1 4746 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 89.84 17.147085 -37.163506 -36.58129 1 4747 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 86.33 16.374102 -36.055702 -35.87774 1 4748 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 81.64 14.934694 -36.13547 -36.17442 1 4749 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 96.48 21.88356 -36.834194 -35.15842 1 4750 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 96.09 22.416653 -36.82338 -33.7957 1 4751 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 96.48 21.306087 -36.67871 -32.77345 1 4752 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 95.7 20.382961 -35.883537 -32.963303 1 4753 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 95.7 23.437141 -35.697304 -33.60296 1 4754 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 93.36 24.787537 -35.944023 -34.26404 1 4755 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 90.62 24.720837 -35.672558 -35.76375 1 4756 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 88.28 26.098982 -35.84244 -36.40301 1 4757 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 83.98 26.006979 -35.640083 -37.872375 1 4758 +ATOM N N . THR C0 3 191 . 191 THR C0 N 96.48 21.389894 -37.44687 -31.717026 1 4759 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 96.48 20.50716 -37.307953 -30.569881 1 4760 +ATOM C C . THR C0 3 191 . 191 THR C0 C 96.88 21.382885 -37.190773 -29.326622 1 4761 +ATOM O O . THR C0 3 191 . 191 THR C0 O 96.48 22.57447 -37.492897 -29.36599 1 4762 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 95.31 19.54071 -38.500416 -30.428352 1 4763 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 89.06 20.297201 -39.69819 -30.275137 1 4764 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 87.5 18.644508 -38.623695 -31.65921 1 4765 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 97.27 20.80005 -36.718887 -28.237762 1 4766 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 96.88 21.6027 -36.54608 -27.03578 1 4767 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 96.88 20.748451 -36.676487 -25.785156 1 4768 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 96.48 19.548323 -36.414177 -25.809116 1 4769 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 96.48 22.303709 -35.194435 -27.045557 1 4770 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 96.88 21.389545 -37.104694 -24.710897 1 4771 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 96.88 20.7498 -37.236053 -23.41352 1 4772 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 97.27 21.53254 -36.409145 -22.398943 1 4773 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 96.88 22.7597 -36.50513 -22.323658 1 4774 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 95.7 20.687748 -38.69845 -22.980162 1 4775 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 96.88 20.79342 -35.60125 -21.627525 1 4776 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 97.27 21.423225 -34.747734 -20.625801 1 4777 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 96.88 21.300749 -35.371864 -19.24316 1 4778 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 96.48 20.20622 -35.797382 -18.847034 1 4779 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 96.88 20.792612 -33.357315 -20.627718 1 4780 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 96.88 21.241909 -32.46039 -19.528479 1 4781 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 95.7 20.49052 -32.03287 -18.468662 1 4782 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 96.48 22.518951 -31.852165 -19.365639 1 4783 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 94.92 21.227901 -31.192709 -17.672722 1 4784 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 95.7 22.472271 -31.069666 -18.19803 1 4785 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 96.09 23.71436 -31.907892 -20.110058 1 4786 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 95.31 23.573399 -30.33281 -17.74582 1 4787 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 95.31 24.81245 -31.17372 -19.67054 1 4788 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 94.92 24.727528 -30.40523 -18.503796 1 4789 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 96.88 22.392462 -35.441372 -18.536213 1 4790 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 96.88 22.4197 -35.937874 -17.162113 1 4791 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 96.88 22.798096 -34.777657 -16.248661 1 4792 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 96.09 23.959549 -34.370064 -16.205406 1 4793 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 96.09 23.417013 -37.09375 -17.028465 1 4794 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 93.36 23.353352 -37.763638 -15.670784 1 4795 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 90.23 23.189997 -37.099556 -14.650265 1 4796 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 89.06 23.492378 -39.087833 -15.647137 1 4797 +ATOM N N . SER C0 3 196 . 196 SER C0 N 96.09 21.798922 -34.240425 -15.539085 1 4798 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 94.92 22.036018 -33.077583 -14.695883 1 4799 +ATOM C C . SER C0 3 196 . 196 SER C0 C 95.7 22.936943 -33.389145 -13.509638 1 4800 +ATOM O O . SER C0 3 196 . 196 SER C0 O 94.14 23.626442 -32.502842 -13.000638 1 4801 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 93.75 20.704983 -32.505585 -14.211604 1 4802 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 87.89 19.996819 -33.456284 -13.442617 1 4803 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 95.31 22.937344 -34.64501 -13.055087 1 4804 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 94.92 23.770649 -35.02178 -11.929707 1 4805 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 95.31 25.251825 -34.950985 -12.224603 1 4806 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 93.75 26.055887 -34.629753 -11.347174 1 4807 +ATOM N N . THR C0 3 198 . 198 THR C0 N 96.09 25.62392 -35.261093 -13.465033 1 4808 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 95.7 27.018097 -35.233215 -13.878426 1 4809 +ATOM C C . THR C0 3 198 . 198 THR C0 C 96.09 27.326023 -34.090965 -14.842895 1 4810 +ATOM O O . THR C0 3 198 . 198 THR C0 O 95.31 28.46704 -33.944633 -15.27873 1 4811 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 95.31 27.422281 -36.56456 -14.535812 1 4812 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 92.19 26.578829 -36.80717 -15.670668 1 4813 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 90.23 27.284517 -37.73182 -13.562936 1 4814 +ATOM N N . SER C0 3 199 . 199 SER C0 N 96.48 26.318619 -33.302654 -15.170505 1 4815 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 96.48 26.466276 -32.204582 -16.126268 1 4816 +ATOM C C . SER C0 3 199 . 199 SER C0 C 97.27 27.05975 -32.701187 -17.438519 1 4817 +ATOM O O . SER C0 3 199 . 199 SER C0 O 96.88 27.970013 -32.09105 -18.000217 1 4818 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 95.31 27.322042 -31.085747 -15.533379 1 4819 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 89.45 26.741497 -30.568703 -14.3536215 1 4820 +ATOM N N . THR C0 3 200 . 200 THR C0 N 97.27 26.519577 -33.809265 -17.915253 1 4821 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 97.66 27.05663 -34.471367 -19.095556 1 4822 +ATOM C C . THR C0 3 200 . 200 THR C0 C 97.27 26.001797 -34.590286 -20.189 1 4823 +ATOM O O . THR C0 3 200 . 200 THR C0 O 96.88 24.879555 -35.02366 -19.92503 1 4824 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 97.27 27.58656 -35.868614 -18.7425 1 4825 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 94.14 28.59985 -35.75293 -17.748192 1 4826 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 93.75 28.161972 -36.56575 -19.972301 1 4827 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 97.27 26.398092 -34.24108 -21.410856 1 4828 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 97.66 25.567467 -34.444984 -22.590454 1 4829 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 97.66 26.171545 -35.588924 -23.388416 1 4830 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 96.88 27.29628 -35.4821 -23.87331 1 4831 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 97.66 25.50697 -33.184544 -23.454536 1 4832 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 96.09 24.522856 -33.233315 -24.62535 1 4833 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 93.36 24.885838 -32.22474 -25.705723 1 4834 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 92.97 23.10196 -33.011814 -24.118835 1 4835 +ATOM N N . THR C0 3 202 . 202 THR C0 N 96.88 25.428017 -36.675026 -23.508976 1 4836 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 96.88 25.90719 -37.83313 -24.25235 1 4837 +ATOM C C . THR C0 3 202 . 202 THR C0 C 97.27 25.287678 -37.8119 -25.644012 1 4838 +ATOM O O . THR C0 3 202 . 202 THR C0 O 96.88 24.062689 -37.9029 -25.781841 1 4839 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 96.88 25.550692 -39.14164 -23.528141 1 4840 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 94.53 26.150097 -39.13331 -22.232418 1 4841 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 94.14 26.05753 -40.347855 -24.314175 1 4842 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 96.88 26.140055 -37.716564 -26.658775 1 4843 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 96.88 25.676521 -37.64266 -28.040142 1 4844 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 96.48 25.661753 -39.0381 -28.650978 1 4845 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 96.09 26.620884 -39.7967 -28.507626 1 4846 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 96.88 26.561285 -36.69805 -28.875519 1 4847 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 95.31 26.529707 -35.29394 -28.268265 1 4848 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 95.31 26.102097 -36.670803 -30.34211 1 4849 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 92.97 27.43967 -34.296345 -28.974445 1 4850 +ATOM N N . THR C0 3 204 . 204 THR C0 N 96.48 24.575047 -39.34886 -29.35159 1 4851 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 96.09 24.39049 -40.651314 -29.97335 1 4852 +ATOM C C . THR C0 3 204 . 204 THR C0 C 96.09 24.104313 -40.480145 -31.461227 1 4853 +ATOM O O . THR C0 3 204 . 204 THR C0 O 95.7 23.328285 -39.601105 -31.845985 1 4854 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 95.7 23.240448 -41.42198 -29.309128 1 4855 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 91.02 23.555288 -41.644135 -27.93386 1 4856 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 90.62 23.007473 -42.766052 -29.998756 1 4857 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 95.7 24.737514 -41.317627 -32.28244 1 4858 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 95.31 24.505886 -41.33568 -33.721676 1 4859 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 94.92 24.318256 -42.786407 -34.15809 1 4860 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 94.14 25.135798 -43.646255 -33.84673 1 4861 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 94.53 25.676292 -40.707752 -34.501564 1 4862 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 91.02 25.388794 -40.755997 -36.006233 1 4863 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 90.62 25.92802 -39.28142 -34.05722 1 4864 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 93.36 23.253197 -43.048225 -34.86513 1 4865 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 92.97 22.951729 -44.386402 -35.359013 1 4866 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 93.36 22.990726 -45.418102 -34.225975 1 4867 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 92.19 23.600933 -46.484463 -34.343777 1 4868 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 91.41 23.92684 -44.771446 -36.474083 1 4869 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 87.89 23.420124 -45.944496 -37.29696 1 4870 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 82.03 22.218065 -46.20213 -37.356846 1 4871 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 81.25 24.329374 -46.657257 -37.95615 1 4872 +ATOM N N . SER C0 3 207 . 207 SER C0 N 92.97 22.376135 -45.085396 -33.128925 1 4873 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 92.19 22.24747 -45.930878 -31.942516 1 4874 +ATOM C C . SER C0 3 207 . 207 SER C0 C 92.97 23.572598 -46.222813 -31.249214 1 4875 +ATOM O O . SER C0 3 207 . 207 SER C0 O 91.41 23.653091 -47.141262 -30.430683 1 4876 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 90.23 21.544853 -47.248512 -32.28064 1 4877 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 84.38 20.245909 -46.999596 -32.78561 1 4878 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 94.92 24.598337 -45.466812 -31.562183 1 4879 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 94.92 25.889671 -45.63324 -30.906618 1 4880 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 95.31 26.311651 -44.326653 -30.245487 1 4881 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 94.92 26.29224 -43.27095 -30.887714 1 4882 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 93.75 26.96444 -46.064686 -31.91657 1 4883 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 87.89 26.744755 -47.445625 -32.51593 1 4884 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 84.38 27.887398 -47.80313 -33.473 1 4885 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 77.34 27.68708 -49.1905 -34.07051 1 4886 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 71.09 28.76953 -49.537884 -34.99521 1 4887 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 95.7 26.68987 -44.437508 -28.985224 1 4888 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 96.09 27.203785 -43.26554 -28.29043 1 4889 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 95.7 28.535168 -42.86586 -28.922745 1 4890 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 94.92 29.383436 -43.719254 -29.192402 1 4891 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 95.31 27.378582 -43.542297 -26.799446 1 4892 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 94.14 26.077961 -43.80445 -26.068687 1 4893 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 92.97 26.347599 -44.11053 -24.599516 1 4894 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 89.45 25.042107 -44.386246 -23.86994 1 4895 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 85.94 25.27267 -44.713516 -22.446 1 4896 +ATOM N N . THR C0 3 210 . 210 THR C0 N 96.09 28.704002 -41.570724 -29.16497 1 4897 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 95.7 29.924805 -41.10185 -29.812033 1 4898 +ATOM C C . THR C0 3 210 . 210 THR C0 C 96.09 30.780918 -40.21869 -28.909397 1 4899 +ATOM O O . THR C0 3 210 . 210 THR C0 O 95.31 32.006287 -40.328907 -28.944345 1 4900 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 94.92 29.613705 -40.332153 -31.108498 1 4901 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 92.19 28.78851 -39.20763 -30.799292 1 4902 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 91.02 28.896587 -41.2238 -32.107872 1 4903 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 96.48 30.153038 -39.34105 -28.14957 1 4904 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 96.48 30.91304 -38.415703 -27.312004 1 4905 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 96.48 30.158808 -38.053566 -26.041931 1 4906 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 96.09 28.918753 -38.092407 -26.011549 1 4907 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 95.31 31.221268 -37.111065 -28.070587 1 4908 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 91.41 32.080635 -37.282562 -29.302036 1 4909 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 88.67 32.250298 -35.950306 -30.02673 1 4910 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 83.98 33.065704 -36.111 -31.301151 1 4911 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 78.91 32.32055 -36.881313 -32.302948 1 4912 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 96.88 30.908138 -37.69281 -25.038101 1 4913 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 96.88 30.370375 -37.08717 -23.82778 1 4914 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 96.88 30.914925 -35.67222 -23.743145 1 4915 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 96.88 32.1308 -35.46566 -23.777561 1 4916 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 96.48 30.791725 -37.873592 -22.58265 1 4917 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 95.7 29.79186 -38.931145 -22.176052 1 4918 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 92.58 28.822084 -39.167137 -22.924728 1 4919 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 91.8 29.984879 -39.534683 -21.091545 1 4920 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 97.27 30.026253 -34.701508 -23.647537 1 4921 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 97.27 30.420357 -33.323654 -23.394823 1 4922 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 97.27 30.086157 -33.02263 -21.93835 1 4923 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 96.88 28.920025 -33.13495 -21.534077 1 4924 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 96.88 29.679764 -32.347626 -24.317026 1 4925 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 95.31 30.010283 -32.40349 -25.801395 1 4926 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 92.97 29.07761 -31.47467 -26.574165 1 4927 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 92.58 31.45855 -32.015118 -26.05246 1 4928 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 96.88 31.085554 -32.672768 -21.15324 1 4929 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 96.88 30.873613 -32.384567 -19.741112 1 4930 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 96.88 31.02275 -30.881329 -19.511005 1 4931 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 96.09 32.051445 -30.294556 -19.856407 1 4932 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 96.48 31.857079 -33.162376 -18.845692 1 4933 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 93.36 31.610096 -32.829834 -17.379982 1 4934 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 92.58 31.728968 -34.66271 -19.087948 1 4935 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 96.48 29.984919 -30.28762 -18.947683 1 4936 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 96.09 29.989748 -28.859318 -18.642984 1 4937 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 95.31 30.337193 -28.709576 -17.168652 1 4938 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 93.36 29.47704 -28.864098 -16.30084 1 4939 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 96.48 28.627014 -28.248919 -18.983246 1 4940 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 96.09 28.303516 -28.30693 -20.452053 1 4941 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 94.53 27.937141 -29.500103 -21.046906 1 4942 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 94.14 28.39464 -27.171597 -21.246803 1 4943 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 94.14 27.661076 -29.565956 -22.403954 1 4944 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 94.14 28.114552 -27.232311 -22.602169 1 4945 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 95.7 27.747416 -28.431675 -23.184204 1 4946 +ATOM N N . THR C0 3 216 . 216 THR C0 N 93.75 31.58584 -28.401314 -16.875177 1 4947 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 92.97 32.109802 -28.442764 -15.51395 1 4948 +ATOM C C . THR C0 3 216 . 216 THR C0 C 93.36 31.674156 -27.22936 -14.6828785 1 4949 +ATOM O O . THR C0 3 216 . 216 THR C0 O 91.8 31.199753 -26.223331 -15.209192 1 4950 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 91.41 33.645256 -28.521568 -15.516239 1 4951 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 88.28 34.177948 -27.248825 -15.8792515 1 4952 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 87.11 34.14003 -29.577805 -16.492603 1 4953 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 90.62 31.878283 -27.368069 -13.374386 1 4954 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 89.45 31.553503 -26.291084 -12.452169 1 4955 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 90.23 32.552383 -25.140804 -12.539632 1 4956 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 87.89 32.291855 -24.062931 -12.005643 1 4957 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 86.72 31.491285 -26.826292 -11.016475 1 4958 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 79.3 30.362757 -27.82002 -10.798298 1 4959 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 71.88 30.322266 -28.301353 -9.353928 1 4960 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 65.62 29.173899 -29.281826 -9.135626 1 4961 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 58.59 29.12143 -29.764778 -7.741702 1 4962 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 92.58 33.680534 -25.356852 -13.193354 1 4963 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 91.8 34.682407 -24.31741 -13.408894 1 4964 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 92.19 34.464687 -23.61561 -14.746117 1 4965 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 90.23 35.357487 -22.950161 -15.245539 1 4966 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 89.84 36.097706 -24.892372 -13.350534 1 4967 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 83.59 36.562935 -25.256416 -11.943361 1 4968 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 78.12 35.833714 -26.442907 -11.35313 1 4969 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 72.66 35.49207 -26.398817 -10.167726 1 4970 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 71.48 35.592823 -27.42973 -12.099585 1 4971 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 93.36 33.281975 -23.781542 -15.298474 1 4972 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 93.36 32.876022 -23.143597 -16.546394 1 4973 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 93.75 33.764282 -23.523832 -17.720654 1 4974 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 92.97 34.11659 -22.695724 -18.557217 1 4975 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 92.58 32.822426 -21.624573 -16.375454 1 4976 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 91.41 31.856117 -21.207605 -15.297542 1 4977 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 86.33 30.729666 -21.710106 -15.242989 1 4978 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 85.55 32.27813 -20.309296 -14.432907 1 4979 +ATOM N N . THR C0 3 220 . 220 THR C0 N 95.31 34.13263 -24.795326 -17.755474 1 4980 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 94.92 34.853233 -25.353336 -18.88873 1 4981 +ATOM C C . THR C0 3 220 . 220 THR C0 C 96.09 34.01707 -26.47268 -19.486359 1 4982 +ATOM O O . THR C0 3 220 . 220 THR C0 O 95.31 33.10285 -26.995522 -18.844475 1 4983 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 93.75 36.23242 -25.907356 -18.482224 1 4984 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 89.06 36.054024 -26.957834 -17.536592 1 4985 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 87.5 37.11834 -24.821804 -17.887741 1 4986 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 96.09 34.33233 -26.826618 -20.732065 1 4987 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 96.48 33.669483 -27.940012 -21.392525 1 4988 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 96.48 34.74567 -28.940235 -21.789642 1 4989 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 96.09 35.76017 -28.561678 -22.373081 1 4990 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 96.09 32.884773 -27.486874 -22.639229 1 4991 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 94.92 31.910898 -26.36512 -22.281883 1 4992 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 94.53 32.143394 -28.664738 -23.270185 1 4993 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 92.19 31.234526 -25.729755 -23.496761 1 4994 +ATOM N N . THR C0 3 222 . 222 THR C0 N 96.88 34.5128 -30.200438 -21.463593 1 4995 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 96.48 35.433228 -31.248575 -21.874401 1 4996 +ATOM C C . THR C0 3 222 . 222 THR C0 C 96.88 34.715027 -32.216534 -22.798456 1 4997 +ATOM O O . THR C0 3 222 . 222 THR C0 O 96.48 33.48783 -32.363907 -22.738293 1 4998 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 96.09 36.006676 -32.02147 -20.672863 1 4999 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 92.19 34.95508 -32.731316 -20.020191 1 5000 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 91.8 36.686226 -31.0867 -19.6894 1 5001 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 96.88 35.485786 -32.86992 -23.65332 1 5002 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 96.88 34.920044 -33.85012 -24.57089 1 5003 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 96.48 35.718033 -35.146286 -24.436573 1 5004 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 96.09 36.93905 -35.12612 -24.292244 1 5005 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 96.48 34.9311 -33.353756 -26.033798 1 5006 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 91.8 34.272964 -34.3881 -26.955925 1 5007 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 91.02 36.341515 -33.05088 -26.502922 1 5008 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 96.09 35.016518 -36.25672 -24.444397 1 5009 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 96.09 35.647835 -37.571945 -24.384407 1 5010 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 96.09 34.933273 -38.49147 -25.353943 1 5011 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 95.7 33.700058 -38.489197 -25.432108 1 5012 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 95.7 35.59991 -38.141766 -22.965097 1 5013 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 92.97 36.417786 -39.411964 -22.809162 1 5014 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 91.41 36.54879 -39.860577 -21.365393 1 5015 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 86.33 35.826565 -39.38759 -20.496204 1 5016 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 85.16 37.48269 -40.772438 -21.096598 1 5017 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 95.7 35.73368 -39.285896 -26.099651 1 5018 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 95.31 35.19066 -40.16108 -27.13562 1 5019 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 95.7 34.78512 -41.514755 -26.583323 1 5020 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 94.92 35.40229 -42.02125 -25.647083 1 5021 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 93.75 36.21737 -40.36944 -28.253693 1 5022 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 87.11 36.768753 -39.088615 -28.859875 1 5023 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 82.81 35.727562 -38.307487 -29.62417 1 5024 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 76.17 34.891838 -38.88556 -30.318657 1 5025 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 73.44 35.768936 -36.99333 -29.489674 1 5026 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 95.7 33.74463 -42.083042 -27.193165 1 5027 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 95.7 33.38787 -43.470024 -26.93721 1 5028 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 95.31 34.11046 -44.35415 -27.943153 1 5029 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 94.14 34.59804 -43.883663 -28.979275 1 5030 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 95.7 31.881826 -43.690678 -27.06934 1 5031 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 95.7 31.085463 -43.27655 -25.849174 1 5032 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 93.75 30.714756 -41.96499 -25.654152 1 5033 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 92.97 30.70729 -44.219025 -24.906483 1 5034 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 92.58 29.985754 -41.58809 -24.54052 1 5035 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 92.58 29.980888 -43.851463 -23.795143 1 5036 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 94.53 29.624714 -42.53939 -23.616625 1 5037 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 94.14 28.908352 -42.18167 -22.5163 1 5038 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 94.92 34.21871 -45.651283 -27.63411 1 5039 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 94.92 34.8412 -46.570274 -28.576302 1 5040 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 94.53 33.95073 -46.718517 -29.802326 1 5041 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 93.75 32.83617 -46.177776 -29.846888 1 5042 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 93.75 35.13526 -47.92472 -27.925987 1 5043 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 91.41 33.896416 -48.667046 -27.45848 1 5044 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 88.28 32.763054 -48.246845 -27.770054 1 5045 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 86.33 34.06053 -49.7022 -26.765238 1 5046 +ATOM N N . SER C0 3 228 . 228 SER C0 N 93.75 34.41664 -47.425697 -30.82563 1 5047 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 92.58 33.70809 -47.547417 -32.09603 1 5048 +ATOM C C . SER C0 3 228 . 228 SER C0 C 93.36 32.328156 -48.176003 -31.935383 1 5049 +ATOM O O . SER C0 3 228 . 228 SER C0 O 91.41 31.446333 -47.93729 -32.758957 1 5050 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 91.02 34.54409 -48.35972 -33.08983 1 5051 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 84.38 34.79201 -49.666916 -32.610012 1 5052 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 93.75 32.142017 -48.965378 -30.907728 1 5053 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 93.36 30.848896 -49.584797 -30.650892 1 5054 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 93.75 29.953213 -48.71713 -29.76603 1 5055 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 92.19 28.797806 -49.065544 -29.541302 1 5056 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 92.19 31.03349 -50.966553 -30.002785 1 5057 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 88.67 31.681248 -51.96842 -30.939707 1 5058 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 82.81 31.395136 -51.98678 -32.133545 1 5059 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 81.25 32.56128 -52.81498 -30.41547 1 5060 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 94.14 30.477615 -47.615524 -29.257492 1 5061 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 94.14 29.726727 -46.724564 -28.395817 1 5062 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 94.53 29.368477 -47.332695 -27.061508 1 5063 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 93.36 28.350323 -46.962822 -26.47607 1 5064 +ATOM N N . THR C0 3 231 . 231 THR C0 N 94.14 30.189856 -48.238316 -26.572548 1 5065 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 93.75 29.886734 -48.962326 -25.347454 1 5066 +ATOM C C . THR C0 3 231 . 231 THR C0 C 94.53 30.613777 -48.415363 -24.119503 1 5067 +ATOM O O . THR C0 3 231 . 231 THR C0 O 93.36 30.125309 -48.568615 -22.996916 1 5068 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 92.58 30.205883 -50.46262 -25.495588 1 5069 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 88.28 31.57299 -50.615448 -25.868214 1 5070 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 86.33 29.32449 -51.100563 -26.564451 1 5071 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 94.14 31.788486 -47.81475 -24.315994 1 5072 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 93.75 32.542038 -47.2797 -23.186253 1 5073 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 94.53 33.405823 -46.1034 -23.627102 1 5074 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 93.75 33.77951 -45.997677 -24.794235 1 5075 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 92.58 33.409447 -48.363113 -22.535145 1 5076 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 85.94 34.51806 -48.900627 -23.430218 1 5077 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 82.42 35.327103 -49.96837 -22.69829 1 5078 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 75.39 36.43776 -50.50749 -23.59095 1 5079 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 69.14 37.22302 -51.54857 -22.906694 1 5080 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 95.31 33.69053 -45.2555 -22.665796 1 5081 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 94.92 34.559246 -44.121696 -22.944462 1 5082 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 94.53 36.003815 -44.593937 -23.042778 1 5083 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 93.36 36.412964 -45.49642 -22.306175 1 5084 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 94.53 34.43515 -43.063206 -21.842176 1 5085 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 92.97 33.089905 -42.334824 -21.77009 1 5086 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 90.23 32.94277 -41.646893 -20.426336 1 5087 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 89.45 32.98632 -41.323795 -22.907425 1 5088 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 94.14 36.7629 -43.987373 -23.958168 1 5089 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 93.36 38.17403 -44.342865 -24.087814 1 5090 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 93.36 39.02684 -43.085365 -24.058844 1 5091 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 91.02 38.566635 -41.988438 -24.392157 1 5092 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 91.41 38.42334 -45.13728 -25.370895 1 5093 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 85.16 38.120453 -44.38716 -26.653322 1 5094 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 80.86 38.353912 -45.22934 -27.893223 1 5095 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 76.56 38.521526 -46.464226 -27.766293 1 5096 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 75.0 38.371777 -44.66565 -29.011951 1 5097 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 92.58 40.25879 -43.282593 -23.640453 1 5098 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 92.19 41.155075 -42.14975 -23.525974 1 5099 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 92.97 40.80056 -41.253296 -22.356113 1 5100 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 91.02 40.09327 -41.657494 -21.435131 1 5101 +ATOM N N . SER C0 3 236 . 236 SER C0 N 92.58 41.306816 -40.03179 -22.41504 1 5102 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 92.97 41.047874 -39.059147 -21.36644 1 5103 +ATOM C C . SER C0 3 236 . 236 SER C0 C 94.14 40.19279 -37.92002 -21.887989 1 5104 +ATOM O O . SER C0 3 236 . 236 SER C0 O 92.58 40.174652 -37.635925 -23.08422 1 5105 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 91.02 42.365616 -38.50586 -20.814835 1 5106 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 83.98 43.17025 -39.527267 -20.260101 1 5107 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 95.31 39.470795 -37.287117 -20.984253 1 5108 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 95.7 38.676903 -36.124725 -21.355906 1 5109 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 95.7 39.620583 -34.986954 -21.74181 1 5110 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 94.92 40.63938 -34.766342 -21.088352 1 5111 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 94.53 37.77571 -35.71482 -20.20644 1 5112 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 95.7 39.26565 -34.265987 -22.800537 1 5113 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 95.7 40.076508 -33.15902 -23.288742 1 5114 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 96.09 39.285915 -31.854 -23.151405 1 5115 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 95.31 38.119946 -31.780857 -23.559853 1 5116 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 94.53 40.488396 -33.374516 -24.76019 1 5117 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 89.45 41.3037 -32.20323 -25.26749 1 5118 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 88.28 41.274414 -34.677242 -24.914024 1 5119 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 95.7 39.91111 -30.853256 -22.568478 1 5120 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 95.7 39.25214 -29.571623 -22.388367 1 5121 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 96.09 39.133644 -28.835182 -23.715815 1 5122 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 95.31 40.10187 -28.728466 -24.46938 1 5123 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 94.53 40.023247 -28.720364 -21.375046 1 5124 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 89.45 39.359657 -27.370989 -21.114964 1 5125 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 87.5 40.080643 -26.545683 -20.069412 1 5126 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 82.81 40.610947 -27.141724 -19.104126 1 5127 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 81.64 40.122246 -25.312073 -20.194656 1 5128 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 96.09 37.948715 -28.339085 -23.98542 1 5129 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 95.7 37.705406 -27.564793 -25.19719 1 5130 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 95.7 38.223972 -26.143673 -24.982624 1 5131 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 94.53 37.9091 -25.506031 -23.974445 1 5132 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 95.31 36.203323 -27.562702 -25.547745 1 5133 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 93.36 35.80114 -28.956968 -26.044106 1 5134 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 92.58 35.87902 -26.487259 -26.586601 1 5135 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 91.41 34.318325 -29.11993 -26.320404 1 5136 +ATOM N N . THR C0 3 241 . 241 THR C0 N 95.7 39.006386 -25.645775 -25.919724 1 5137 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 95.31 39.58526 -24.319483 -25.803267 1 5138 +ATOM C C . THR C0 3 241 . 241 THR C0 C 95.7 39.18486 -23.394714 -26.94809 1 5139 +ATOM O O . THR C0 3 241 . 241 THR C0 O 94.53 39.550186 -22.217873 -26.935602 1 5140 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 94.14 41.126076 -24.382244 -25.735928 1 5141 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 90.23 41.620247 -25.012096 -26.914845 1 5142 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 88.67 41.578686 -25.184517 -24.512947 1 5143 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 95.7 38.48416 -23.931793 -27.944565 1 5144 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 95.31 38.02836 -23.145134 -29.085758 1 5145 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 96.09 36.591316 -23.516731 -29.42746 1 5146 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 95.31 36.18058 -24.671406 -29.261322 1 5147 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 94.14 38.92719 -23.372364 -30.309664 1 5148 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 89.84 40.3703 -22.92845 -30.127897 1 5149 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 85.94 41.18322 -23.214565 -31.392124 1 5150 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 79.69 42.632812 -22.787281 -31.21357 1 5151 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 73.05 43.422382 -23.08041 -32.420795 1 5152 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 96.09 35.849308 -22.542728 -29.94872 1 5153 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 96.48 34.464825 -22.79896 -30.340494 1 5154 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 96.09 34.39738 -23.858877 -31.435677 1 5155 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 95.7 33.457375 -24.660189 -31.47147 1 5156 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 95.31 33.803574 -21.502132 -30.820522 1 5157 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 93.36 32.327038 -21.60353 -31.22194 1 5158 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 90.62 31.840145 -20.261604 -31.763582 1 5159 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 89.84 31.48993 -22.053093 -30.039526 1 5160 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 96.09 35.37639 -23.856342 -32.336983 1 5161 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 96.09 35.40525 -24.839472 -33.418087 1 5162 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 96.09 35.459152 -26.265465 -32.888676 1 5163 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 95.31 34.984455 -27.184912 -33.55456 1 5164 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 94.92 36.601833 -24.584503 -34.342846 1 5165 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 88.67 36.387257 -23.414736 -35.281696 1 5166 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 84.77 35.234474 -22.960007 -35.43248 1 5167 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 83.2 37.384727 -22.946707 -35.876972 1 5168 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 96.09 36.03191 -26.457191 -31.707197 1 5169 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 96.09 36.10414 -27.7924 -31.119331 1 5170 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 96.09 34.723194 -28.270164 -30.663452 1 5171 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 96.09 34.439354 -29.465254 -30.703014 1 5172 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 95.31 37.087654 -27.80256 -29.947796 1 5173 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 92.19 38.51655 -27.51188 -30.38245 1 5174 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 91.02 39.477142 -27.406303 -29.224276 1 5175 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 87.5 40.679665 -27.15423 -29.458828 1 5176 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 87.5 39.045128 -27.55971 -28.063393 1 5177 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 96.09 33.874004 -27.335644 -30.214657 1 5178 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 95.7 32.505356 -27.70493 -29.8712 1 5179 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 96.09 31.749582 -28.072647 -31.141407 1 5180 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 95.7 31.044239 -29.081161 -31.184826 1 5181 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 95.31 31.776155 -26.566645 -29.133041 1 5182 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 92.58 32.549927 -26.159405 -27.87404 1 5183 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 91.8 30.349915 -26.992458 -28.78432 1 5184 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 88.28 31.899223 -25.001259 -27.119476 1 5185 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 96.48 31.91953 -27.242142 -32.176468 1 5186 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 96.09 31.263199 -27.521206 -33.450417 1 5187 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 95.7 31.700283 -28.8741 -33.99896 1 5188 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 95.31 30.87424 -29.630404 -34.53248 1 5189 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 96.09 31.573122 -26.415665 -34.464245 1 5190 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 93.75 30.939728 -25.073006 -34.12829 1 5191 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 92.58 31.242912 -24.055103 -35.22428 1 5192 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 88.67 30.558802 -22.731808 -34.939934 1 5193 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 84.38 30.822842 -21.728397 -35.99711 1 5194 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 95.7 32.984222 -29.190273 -33.85746 1 5195 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 94.92 33.50361 -30.472551 -34.329483 1 5196 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 94.92 32.859795 -31.636236 -33.588585 1 5197 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 94.14 32.60853 -32.690212 -34.16344 1 5198 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 94.14 35.024727 -30.51598 -34.169754 1 5199 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 89.45 35.645023 -31.70095 -34.89212 1 5200 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 84.38 35.37594 -31.925117 -36.07467 1 5201 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 82.81 36.48644 -32.452557 -34.207626 1 5202 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 95.31 32.569153 -31.452103 -32.313618 1 5203 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 94.92 31.943937 -32.497887 -31.522158 1 5204 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 94.92 30.494667 -32.723663 -31.931316 1 5205 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 93.75 29.93121 -33.777557 -31.621166 1 5206 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 94.14 32.019547 -32.14574 -30.045067 1 5207 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 95.31 29.903927 -31.760975 -32.615883 1 5208 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 94.92 28.510927 -31.860119 -33.02964 1 5209 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 93.75 28.356754 -32.446053 -34.432514 1 5210 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 92.19 27.234512 -32.72744 -34.85608 1 5211 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 94.92 27.842669 -30.483402 -32.986618 1 5212 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 94.53 27.849903 -29.777412 -31.628132 1 5213 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 91.41 27.192642 -28.413439 -31.764946 1 5214 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 90.23 27.164837 -30.614923 -30.565903 1 5215 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 92.58 29.449312 -32.630802 -35.151237 1 5216 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 90.62 29.406372 -33.16811 -36.510178 1 5217 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 88.67 28.973969 -34.63663 -36.522846 1 5218 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 85.16 29.241245 -35.380905 -35.58203 1 5219 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 87.11 30.772871 -33.04355 -37.200935 1 5220 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 83.2 31.142937 -31.606266 -37.517982 1 5221 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 79.69 32.50286 -31.568855 -38.230503 1 5222 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 75.39 32.877605 -30.13334 -38.548046 1 5223 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 72.66 34.18217 -30.048515 -39.179474 1 5224 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 73.83 28.311405 -35.04409 -37.469315 1 5225 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 74.22 -6.0068154 -3.68601 -7.377159 1 5226 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 72.66 -4.7469215 -3.6669273 -7.7839713 1 5227 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 75.39 -6.2228136 -4.7377124 -6.377497 1 5228 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 71.48 -7.4289293 -4.5979853 -5.7931266 1 5229 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 67.58 -8.32671 -1.8305304 18.985956 1 5230 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 64.45 -8.17065 -0.8007157 18.137482 1 5231 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 68.75 -7.038919 -2.4621973 19.329113 1 5232 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 63.28 -7.176006 -3.221178 20.444824 1 5233 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 60.94 27.45577 -22.079151 -15.27969 1 5234 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 59.77 26.714678 -20.966976 -15.036789 1 5235 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 63.67 28.180622 -21.980757 -16.56345 1 5236 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 58.59 28.858053 -23.119812 -16.806343 1 5237 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 51.95 -40.113007 -5.0320663 10.959186 1 5238 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 50.78 -39.670532 -3.8759265 10.386491 1 5239 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 55.08 -40.68151 -4.7484965 12.270198 1 5240 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 49.8 -41.794895 -4.0346546 12.093355 1 5241 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 45.12 -6.2917347 1.4493121 -25.106602 1 5242 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 43.16 -7.487754 1.9891543 -25.327602 1 5243 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 47.66 -5.203106 2.404153 -25.388979 1 5244 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 41.6 -4.008672 1.8839673 -25.033508 1 5245 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 47.07 -9.898086 16.344444 -17.449894 1 5246 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 45.12 -9.937534 15.695113 -18.61359 1 5247 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 49.41 -11.244427 16.533968 -16.880213 1 5248 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 44.34 -11.181196 16.994404 -15.610197 1 5249 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 77.73 -3.0767312 -2.9357681 -4.6625533 1 5250 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 67.19 12.265855 11.945139 15.434551 1 5251 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 60.16 -1.5043502 7.5049706 -24.260319 1 5252 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 53.91 -26.312202 8.676777 9.898748 1 5253 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 46.68 -12.81946 -0.28040123 -11.0408745 1 5254 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 50.78 -40.24392 10.846416 26.771175 1 5255 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 48.83 -39.5447 17.937822 12.241812 1 5256 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_1_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_1_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..9d3eb07e94cc7c7cae781eab3dbb15ced58d84ba --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_1_postprocessed.cif @@ -0,0 +1,6691 @@ +data_8tuz-assembly1_seed_42_sample_1_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 0 9.958088 22.415125 -7.6454372 1 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 0 9.629028 21.3074 -6.764655 1 2 1 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 0 8.571413 20.421135 -7.408697 1 3 1 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 0 7.6473055 20.925205 -8.066001 1 4 1 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 0 9.141178 21.838034 -5.417683 1 5 1 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 0 9.003617 20.769802 -4.358271 1 6 1 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 0 8.667719 21.349375 -3.0062714 1 7 1 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 0 8.0587635 22.44376 -2.9758315 1 8 1 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 0 9.002698 20.733534 -1.9709599 1 9 1 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 0 8.694624 19.131405 -7.227505 1 10 1 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 0 7.773532 18.172884 -7.8265963 1 11 1 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 0 6.3582726 18.406227 -7.3135138 1 12 1 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 0 6.144942 18.546623 -6.1109934 1 13 1 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 0 8.209945 16.7249 -7.5369644 1 14 1 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 0 7.1864896 15.742775 -8.079996 1 15 1 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 0 9.585512 16.457748 -8.119482 1 16 1 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 0 5.394847 18.429363 -8.22684 1 17 1 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 0 3.999953 18.618956 -7.856123 1 18 1 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 0 3.1034565 17.892075 -8.846901 1 19 1 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 0 3.3588653 17.912601 -10.057981 1 20 1 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 0 3.650394 20.109543 -7.80562 1 21 1 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 0 2.267569 20.384819 -7.241577 1 22 1 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 0 1.9727676 21.862898 -7.103734 1 23 1 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 0 2.682734 22.698444 -7.663183 1 24 1 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 0 0.92980367 22.211407 -6.35541 1 25 1 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 0 2.070256 17.250572 -8.336914 1 26 1 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 0 1.049586 16.59967 -9.144337 1 27 1 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 0 -0.299475 17.192236 -8.759188 1 28 1 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 0 -0.7154747 17.089254 -7.6051226 1 29 1 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 0 1.0457642 15.08001 -8.919247 1 30 1 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 0 2.299612 14.322107 -9.356367 1 31 1 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 0 2.2669587 12.89545 -8.829827 1 32 1 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 0 2.4286718 14.329578 -10.872671 1 33 1 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 0 -0.9729528 17.833115 -9.711358 1 34 1 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 0 -2.2517607 18.497787 -9.452409 1 35 1 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 0 -3.351169 17.791008 -10.242365 1 36 1 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 0 -3.2838929 17.700058 -11.47113 1 37 1 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 0 -2.202733 19.992743 -9.831408 1 38 1 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 0 -3.5495243 20.645279 -9.566475 1 39 1 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 0 -1.0975349 20.702171 -9.047598 1 40 1 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 0 -4.3491554 17.297073 -9.516377 1 41 1 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 0 -5.434427 16.549395 -10.140731 1 42 1 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 0 -6.6477857 17.434696 -10.413497 1 43 1 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 0 -6.7881737 18.514027 -9.834343 1 44 1 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 0 -5.8359694 15.362735 -9.2605505 1 45 1 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 0 -4.7087336 14.372608 -9.042336 1 46 1 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 0 -5.099409 13.168274 -8.224701 1 47 1 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 0 -4.409238 12.786547 -7.2829094 1 48 1 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 0 -6.2257853 12.550533 -8.563739 1 49 1 +ATOM N N . SER A0 1 7 . 7 SER A0 N 0 -7.516473 16.957924 -11.303774 1 50 1 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 0 -8.739015 17.673553 -11.644602 1 51 1 +ATOM C C . SER A0 1 7 . 7 SER A0 C 0 -9.743625 17.595972 -10.49965 1 52 1 +ATOM O O . SER A0 1 7 . 7 SER A0 O 0 -9.561083 16.84999 -9.535271 1 53 1 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 0 -9.350268 17.09721 -12.926182 1 54 1 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 0 -9.507454 15.692989 -12.820491 1 55 1 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 0 -10.805674 18.377487 -10.602114 1 56 1 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 0 -11.770338 18.514038 -9.527668 1 57 1 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 0 -12.734739 17.352585 -9.394844 1 58 1 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 0 -12.768927 16.427494 -10.215975 1 59 1 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 0 -13.536706 17.42443 -8.3388 1 60 1 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 0 -14.533959 16.412918 -8.019178 1 61 1 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 0 -15.507467 16.20792 -9.17552 1 62 1 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 0 -15.892458 17.159647 -9.858871 1 63 1 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 0 -15.292751 16.836765 -6.7592125 1 64 1 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 0 -16.337605 15.844345 -6.290544 1 65 1 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 0 -17.08968 16.339218 -5.0663567 1 66 1 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 0 -17.258217 15.560036 -4.108224 1 67 1 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 0 -17.497105 17.518143 -5.0699835 1 68 1 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 0 -15.917377 14.9321165 -9.389029 1 69 1 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 0 -16.842323 14.592358 -10.465697 1 70 1 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 0 -18.043758 13.842331 -9.915344 1 71 1 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 0 -17.8913 12.944233 -9.084352 1 72 1 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 0 -16.153896 13.7369175 -11.532856 1 73 1 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 0 -15.000793 14.423935 -12.256364 1 74 1 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 0 -15.445533 15.306778 -13.400385 1 75 1 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 0 -14.573196 15.920572 -14.042408 1 76 1 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 0 -16.664871 15.389164 -13.668142 1 77 1 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 0 -19.234556 14.201503 -10.377182 1 78 1 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 0 -20.470585 13.50128 -10.040554 1 79 1 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 0 -21.124706 13.075986 -11.348542 1 80 1 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 0 -21.52018 13.918295 -12.160222 1 81 1 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 0 -21.43249 14.3876 -9.224737 1 82 1 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 0 -22.697487 13.614635 -8.875608 1 83 1 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 0 -20.744596 14.893617 -7.953553 1 84 1 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 0 -21.21304 11.767248 -11.554092 1 85 1 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 0 -21.719418 11.216265 -12.814593 1 86 1 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 0 -22.768421 10.141275 -12.576223 1 87 1 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 0 -22.916328 9.619249 -11.462502 1 88 1 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 0 -20.572166 10.634911 -13.646877 1 89 1 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 0 -19.538425 11.653267 -14.098055 1 90 1 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 0 -20.103138 12.529098 -15.210897 1 91 1 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 0 -19.051054 13.514723 -15.70432 1 92 1 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 0 -19.556034 14.317197 -16.815453 1 93 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 -23.496922 9.788245 -13.636261 1 94 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 -24.492662 8.728874 -13.588041 1 95 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 -23.907188 7.455352 -14.182896 1 96 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 -22.99642 7.5102015 -15.024593 1 97 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 -25.751247 9.12561 -14.3702 1 98 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 -26.464678 10.347114 -13.827581 1 99 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 -27.710388 10.6562 -14.632278 1 100 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 -28.384396 11.928416 -14.1381645 1 101 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 -28.883175 11.8003235 -12.754665 1 102 1 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 0 -24.416775 6.276291 -13.755394 1 103 1 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 0 -23.93856 5.024014 -14.341663 1 104 1 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 0 -24.133076 5.0155563 -15.8570385 1 105 1 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 0 -25.139782 5.517317 -16.368443 1 106 1 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 0 -24.802454 3.9546568 -13.664814 1 107 1 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 0 -25.230293 4.5817766 -12.373688 1 108 1 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 0 -25.40211 6.044721 -12.689806 1 109 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -23.153069 4.459937 -16.559353 1 110 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -23.20844 4.402238 -18.007278 1 111 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -22.54178 5.566284 -18.701649 1 112 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -22.258503 5.4939656 -19.903837 1 113 1 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 0 -22.293364 6.6527624 -17.959637 1 114 1 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 0 -21.632662 7.809423 -18.544302 1 115 1 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 0 -20.12473 7.600394 -18.598167 1 116 1 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 0 -19.570557 6.76857 -17.86978 1 117 1 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 0 -21.952328 9.08059 -17.747799 1 118 1 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 0 -23.415894 9.48884 -17.823362 1 119 1 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 0 -23.668709 10.828663 -17.173784 1 120 1 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 0 -24.598886 11.530558 -17.611094 1 121 1 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 0 -22.937447 11.190052 -16.226406 1 122 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 -19.477842 8.339121 -19.455633 1 123 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 -18.025726 8.298315 -19.554485 1 124 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 -17.422215 9.397446 -18.681808 1 125 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 -18.081177 10.385065 -18.352345 1 126 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 -17.570948 8.4702015 -21.004368 1 127 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 -17.92501 9.753456 -21.494644 1 128 1 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 0 -16.170387 9.183268 -18.29191 1 129 1 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 0 -15.486612 10.159548 -17.450172 1 130 1 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 0 -13.987529 10.085981 -17.693176 1 131 1 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 0 -13.436649 8.996088 -17.875912 1 132 1 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 0 -15.792894 9.914999 -15.967564 1 133 1 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 0 -15.058403 10.814646 -14.967767 1 134 1 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 0 -15.316023 10.369011 -13.537798 1 135 1 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 0 -15.452438 12.27644 -15.162777 1 136 1 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 0 -13.359821 11.231369 -17.687859 1 137 1 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 0 -11.915565 11.326153 -17.8366 1 138 1 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 0 -11.3941345 12.3355 -16.822536 1 139 1 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 0 -11.749094 13.516098 -16.87738 1 140 1 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 0 -11.538077 11.755268 -19.258247 1 141 1 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 0 -10.049047 11.707262 -19.555405 1 142 1 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 0 -9.793352 12.037404 -21.027096 1 143 1 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 0 -8.326321 11.921641 -21.385262 1 144 1 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 0 -8.093437 12.173209 -22.822416 1 145 1 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 0 -10.572181 11.864727 -15.883065 1 146 1 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 0 -9.974971 12.75238 -14.8981905 1 147 1 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 0 -8.496586 12.901652 -15.210289 1 148 1 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 0 -7.899749 12.063776 -15.889117 1 149 1 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 0 -10.199146 12.260201 -13.4491625 1 150 1 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 0 -9.566647 10.898552 -13.239866 1 151 1 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 0 -11.704864 12.194091 -13.152561 1 152 1 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 0 -9.661375 10.390366 -11.801586 1 153 1 +ATOM N N . SER A0 1 21 . 21 SER A0 N 0 -7.8962374 13.99051 -14.704649 1 154 1 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 0 -6.534532 14.332516 -15.099929 1 155 1 +ATOM C C . SER A0 1 21 . 21 SER A0 C 0 -5.588935 14.543497 -13.92231 1 156 1 +ATOM O O . SER A0 1 21 . 21 SER A0 O 0 -6.0232334 14.722275 -12.782335 1 157 1 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 0 -6.5372257 15.59386 -15.978291 1 158 1 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 0 -6.9788857 16.726452 -15.244661 1 159 1 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 0 -4.314089 14.50112 -14.226975 1 160 1 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 0 -3.2402368 14.710821 -13.267544 1 161 1 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 0 -2.0972 15.395582 -14.0086565 1 162 1 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 0 -1.5108135 14.818721 -14.925545 1 163 1 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 0 -2.7847502 13.375408 -12.686683 1 164 1 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 0 -1.3216677 13.442612 -11.644833 1 165 1 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 0 -1.8050325 16.635803 -13.636447 1 166 1 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 0 -0.7563169 17.414845 -14.292292 1 167 1 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 0 0.49626267 17.457453 -13.423693 1 168 1 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 0 0.42774785 17.81258 -12.244587 1 169 1 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 0 -1.2380563 18.842789 -14.586029 1 170 1 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 0 -0.21134605 19.673588 -15.337582 1 171 1 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 0 -0.7699683 21.04122 -15.714234 1 172 1 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 0 0.25162023 21.856262 -16.489231 1 173 1 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 0 -0.3027298 23.158455 -16.897736 1 174 1 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 0 1.6329732 17.089977 -14.0157 1 175 1 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 0 2.8964343 17.095238 -13.297276 1 176 1 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 0 3.7387166 18.30403 -13.620745 1 177 1 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 0 3.6918106 18.838165 -14.729164 1 178 1 +ATOM N N . SER A0 1 25 . 25 SER A0 N 0 4.5190005 18.74849 -12.646019 1 179 1 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 0 5.42918 19.872757 -12.836115 1 180 1 +ATOM C C . SER A0 1 25 . 25 SER A0 C 0 6.6057444 19.741726 -11.879636 1 181 1 +ATOM O O . SER A0 1 25 . 25 SER A0 O 0 6.545294 18.983877 -10.902277 1 182 1 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 0 4.708928 21.213741 -12.621174 1 183 1 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 0 4.229916 21.329037 -11.301502 1 184 1 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 0 7.6998477 20.471792 -12.166857 1 185 1 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 0 8.853023 20.483973 -11.300093 1 186 1 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 0 9.8520565 19.37114 -11.5558605 1 187 1 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 0 10.809927 19.221329 -10.796803 1 188 1 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 0 9.6552925 18.585009 -12.612318 1 189 1 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 0 10.568714 17.507835 -12.984563 1 190 1 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 0 10.348572 17.180708 -14.454241 1 191 1 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 0 9.381769 17.665194 -15.065484 1 192 1 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 0 10.349577 16.270475 -12.1043215 1 193 1 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 0 9.0325985 15.574655 -12.355409 1 194 1 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 0 7.8517723 16.065979 -11.811149 1 195 1 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 0 8.975921 14.436684 -13.14026 1 196 1 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 0 6.637962 15.438689 -12.045691 1 197 1 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 0 7.769702 13.796119 -13.381365 1 198 1 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 0 6.606415 14.3001175 -12.835384 1 199 1 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 0 5.4099526 13.666543 -13.074113 1 200 1 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 0 11.229058 16.365583 -15.0452385 1 201 1 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 0 11.065992 15.974361 -16.43389 1 202 1 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 0 9.937342 14.950344 -16.537415 1 203 1 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 0 10.129177 13.758865 -16.296373 1 204 1 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 0 12.372523 15.412893 -16.999826 1 205 1 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 0 12.328241 15.195053 -18.4989 1 206 1 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 0 13.686417 14.77292 -19.049719 1 207 1 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 0 13.626081 14.572163 -20.556562 1 208 1 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 0 14.929638 14.172157 -21.098476 1 209 1 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 0 8.75779 15.42906 -16.900902 1 210 1 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 0 7.519108 14.66077 -16.890537 1 211 1 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 0 7.6200895 13.345831 -17.670376 1 212 1 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 0 7.083909 12.318695 -17.23709 1 213 1 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 0 6.3873653 15.531844 -17.452667 1 214 1 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 0 5.0530834 14.835173 -17.5323 1 215 1 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 0 4.5617266 14.397766 -18.749771 1 216 1 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 0 4.2769566 14.653006 -16.39928 1 217 1 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 0 3.327774 13.78055 -18.828718 1 218 1 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 0 3.0445802 14.040186 -16.47467 1 219 1 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 0 2.5663211 13.601665 -17.693615 1 220 1 +ATOM N N . SER A0 1 30 . 30 SER A0 N 0 8.313835 13.359476 -18.814232 1 221 1 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 0 8.386569 12.190738 -19.679775 1 222 1 +ATOM C C . SER A0 1 30 . 30 SER A0 C 0 9.364167 11.125315 -19.189302 1 223 1 +ATOM O O . SER A0 1 30 . 30 SER A0 O 0 9.464365 10.06224 -19.81337 1 224 1 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 0 8.762895 12.609916 -21.107306 1 225 1 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 0 10.041858 13.212125 -21.137146 1 226 1 +ATOM N N . SER A0 1 31 . 31 SER A0 N 0 10.069634 11.38184 -18.090363 1 227 1 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 0 11.111586 10.480536 -17.614326 1 228 1 +ATOM C C . SER A0 1 31 . 31 SER A0 C 0 10.719157 9.657115 -16.38848 1 229 1 +ATOM O O . SER A0 1 31 . 31 SER A0 O 0 11.565792 8.955413 -15.828797 1 230 1 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 0 12.388512 11.271399 -17.304813 1 231 1 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 0 12.903693 11.888984 -18.474083 1 232 1 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 0 9.466418 9.737342 -15.954739 1 233 1 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 0 9.008573 8.980587 -14.795151 1 234 1 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 0 7.644424 8.362242 -15.062178 1 235 1 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 0 6.803219 8.962675 -15.735577 1 236 1 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 0 8.908459 9.874828 -13.553335 1 237 1 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 0 10.2356205 10.398683 -13.0542145 1 238 1 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 0 10.7770605 11.574205 -13.5708 1 239 1 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 0 10.946241 9.723907 -12.072867 1 240 1 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 0 11.992302 12.05584 -13.124359 1 241 1 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 0 12.161806 10.202448 -11.619172 1 242 1 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 0 12.676136 11.365501 -12.147362 1 243 1 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 0 13.87537 11.842376 -11.704279 1 244 1 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 0 7.431779 7.178994 -14.506075 1 245 1 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 0 6.115995 6.5638742 -14.533483 1 246 1 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 0 5.15466 7.365144 -13.6526575 1 247 1 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 0 5.5559177 7.9366403 -12.631558 1 248 1 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 0 6.1754055 5.1343737 -13.995707 1 249 1 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 0 6.9819303 4.1585455 -14.782036 1 250 1 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 0 8.300951 3.867506 -14.614082 1 251 1 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 0 6.5059004 3.3091621 -15.828482 1 252 1 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 0 8.6793785 2.8865454 -15.494745 1 253 1 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 0 7.5983696 2.5250158 -16.254486 1 254 1 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 0 5.2609615 3.1412816 -16.451904 1 255 1 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 0 7.477584 1.5782796 -17.267231 1 256 1 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 0 5.149731 2.1993566 -17.459229 1 257 1 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 0 6.254751 1.4397075 -17.85699 1 258 1 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 0 3.8739128 7.4080057 -14.042864 1 259 1 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 0 2.8230858 7.97649 -13.204064 1 260 1 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 0 1.7684584 6.8909597 -13.002476 1 261 1 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 0 1.2882633 6.2892904 -13.967232 1 262 1 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 0 2.1717532 9.215391 -13.844479 1 263 1 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 0 3.223381 10.314201 -14.059242 1 264 1 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 0 1.0285449 9.722521 -12.956751 1 265 1 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 0 3.8056211 10.889093 -12.774156 1 266 1 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 0 1.4339174 6.636649 -11.737077 1 267 1 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 0 0.4650936 5.601466 -11.429013 1 268 1 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 0 -0.8346487 6.1695223 -10.898449 1 269 1 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 0 -0.90120983 7.331194 -10.480717 1 270 1 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 0 -1.8727744 5.3353243 -10.943571 1 271 1 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 0 -3.1775033 5.678088 -10.395657 1 272 1 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 0 -3.539884 4.6888933 -9.305422 1 273 1 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 0 -3.341413 3.474616 -9.456732 1 274 1 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 0 -4.262337 5.6647987 -11.490845 1 275 1 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 0 -4.193391 6.831786 -12.427222 1 276 1 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 0 -3.5908303 6.8645215 -13.649403 1 277 1 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 0 -4.754196 8.129607 -12.215962 1 278 1 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 0 -3.7366157 8.1059475 -14.215801 1 279 1 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 0 -4.4463987 8.899429 -13.354423 1 280 1 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 0 -5.487197 8.70693 -11.178768 1 281 1 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 0 -4.849006 10.231951 -13.485089 1 282 1 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 0 -5.8894386 10.031418 -11.307827 1 283 1 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 0 -5.566731 10.772232 -12.45424 1 284 1 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 0 -4.0847692 5.22045 -8.215467 1 285 1 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 0 -4.4674654 4.4202466 -7.0653133 1 286 1 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 0 -5.904401 4.757817 -6.6897764 1 287 1 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 0 -6.256055 5.936215 -6.5625916 1 288 1 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 0 -3.531332 4.6817284 -5.8620386 1 289 1 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 0 -4.005662 3.9169183 -4.636159 1 290 1 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 0 -2.0956905 4.303644 -6.217168 1 291 1 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 0 -6.7393456 3.7237556 -6.4933395 1 292 1 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 0 -8.120663 3.9131863 -6.0759025 1 293 1 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 0 -8.251306 3.6793091 -4.582053 1 294 1 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 0 -7.614279 2.7857413 -4.0207224 1 295 1 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 0 -9.053587 2.9405537 -6.82382 1 296 1 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 0 -10.530867 3.0741076 -6.4199276 1 297 1 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 0 -11.392965 2.0721295 -7.1688004 1 298 1 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 0 -11.279365 0.7283828 -6.5744295 1 299 1 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 0 -11.967169 -0.3318445 -7.0156517 1 300 1 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 0 -12.824957 -0.19933376 -8.031745 1 301 1 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 0 -11.7927 -1.5115062 -6.421821 1 302 1 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 0 -9.094338 4.472968 -3.928226 1 303 1 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 0 -9.414675 4.2681904 -2.5211172 1 304 1 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 0 -10.918328 4.436372 -2.3369496 1 305 1 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 0 -11.43227 5.5603447 -2.3546896 1 306 1 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 0 -8.64572 5.24265 -1.6245391 1 307 1 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 0 -8.851876 4.9386015 -0.14208245 1 308 1 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 0 -7.896617 5.7071056 0.7386123 1 309 1 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 0 -7.670444 6.902443 0.5346661 1 310 1 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 0 -7.3121767 5.022644 1.7248204 1 311 1 +ATOM N N . MET A0 1 40 . 40 MET A0 N 0 -11.604196 3.321241 -2.1784344 1 312 1 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 0 -13.048698 3.3507428 -1.9879537 1 313 1 +ATOM C C . MET A0 1 40 . 40 MET A0 C 0 -13.362457 3.8317437 -0.57781756 1 314 1 +ATOM O O . MET A0 1 40 . 40 MET A0 O 0 -12.520063 3.7374916 0.31964082 1 315 1 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 0 -13.651613 1.9721262 -2.2436104 1 316 1 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 0 -13.404562 1.4784057 -3.6659436 1 317 1 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 0 -14.126585 -0.14347365 -4.0021906 1 318 1 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 0 -15.860468 0.31324822 -4.1816525 1 319 1 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 0 -14.558645 4.3741636 -0.35780743 1 320 1 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 0 -14.893601 4.9272704 0.9595321 1 321 1 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 0 -14.675718 3.923134 2.0838857 1 322 1 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 0 -15.199078 2.8061829 2.0594537 1 323 1 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 0 -16.373726 5.294259 0.8190587 1 324 1 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 0 -16.548641 5.5882173 -0.6432818 1 325 1 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 0 -15.641892 4.594386 -1.3377907 1 326 1 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 0 -13.873722 4.323207 3.0648963 1 327 1 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 0 -13.593477 3.4828658 4.214098 1 328 1 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 0 -12.697199 2.2939212 3.9417653 1 329 1 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 0 -12.552305 1.4265697 4.8102274 1 330 1 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 0 -12.103755 2.24095 2.7547307 1 331 1 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 0 -11.254517 1.1126626 2.3667076 1 332 1 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 0 -9.801692 1.5426116 2.2169013 1 333 1 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 0 -9.457611 2.7236052 2.3746192 1 334 1 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 0 -11.754719 0.49174473 1.0529704 1 335 1 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 0 -13.216017 0.08699587 1.05616 1 336 1 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 0 -13.463139 -1.1343669 1.9488587 1 337 1 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 0 -14.903366 -1.6172881 1.8124936 1 338 1 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 0 -15.15947 -2.8152735 2.6139793 1 339 1 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 0 -8.944494 0.57528627 1.9127756 1 340 1 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 0 -7.531451 0.85345405 1.7299632 1 341 1 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 0 -7.190197 1.245153 0.3042492 1 342 1 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 0 -8.066355 1.6170154 -0.49257374 1 343 1 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 0 -5.911091 1.1655228 -0.013973254 1 344 1 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 0 -5.411628 1.5916166 -1.3100712 1 345 1 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 0 -5.3624845 0.42332238 -2.2951534 1 346 1 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 0 -4.9547114 -0.6856345 -1.9380417 1 347 1 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 0 -4.010745 2.1951227 -1.1658108 1 348 1 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 0 -3.8924928 3.3791947 -0.1968891 1 349 1 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 0 -2.42028 3.6826744 0.06620875 1 350 1 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 0 -4.60227 4.59904 -0.76207983 1 351 1 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 0 -5.7621555 0.6903208 -3.5382423 1 352 1 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 0 -5.7193313 -0.30866724 -4.600725 1 353 1 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 0 -4.9970074 0.28618944 -5.8021994 1 354 1 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 0 -5.4341526 1.2972956 -6.357626 1 355 1 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 0 -7.137065 -0.7174808 -5.0299826 1 356 1 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 0 -7.9803348 -1.3713968 -3.9446442 1 357 1 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 0 -9.386314 -1.645546 -4.430132 1 358 1 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 0 -10.173495 -0.6831466 -4.5693574 1 359 1 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 0 -9.701363 -2.8281279 -4.6833677 1 360 1 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 0 -3.9064412 -0.33907813 -6.194551 1 361 1 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 0 -3.173625 0.101245046 -7.3666124 1 362 1 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 0 -3.9505072 -0.26313648 -8.6265955 1 363 1 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 0 -4.3754463 -1.3991503 -8.79888 1 364 1 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 0 -1.780817 -0.5428142 -7.3994093 1 365 1 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 0 -0.98779356 -0.18072745 -8.601272 1 366 1 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 0 -0.40408 1.0223272 -8.861093 1 367 1 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 0 -0.67002034 -1.0064625 -9.713379 1 368 1 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 0 0.25029114 0.9726409 -10.062391 1 369 1 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 0 0.093450986 -0.26433408 -10.611451 1 370 1 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 0 -0.9748019 -2.340938 -10.04493 1 371 1 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 0 0.5749302 -0.7829358 -11.809082 1 372 1 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 0 -0.49761844 -2.8582253 -11.23941 1 373 1 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 0 0.2626465 -2.0811663 -12.104251 1 374 1 +ATOM N N . MET A0 1 48 . 48 MET A0 N 0 -4.1396666 0.7177438 -9.493745 1 375 1 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 0 -4.9277277 0.51751876 -10.703644 1 376 1 +ATOM C C . MET A0 1 48 . 48 MET A0 C 0 -4.0608044 0.2718224 -11.932703 1 377 1 +ATOM O O . MET A0 1 48 . 48 MET A0 O 0 -4.3080683 -0.66401803 -12.692133 1 378 1 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 0 -5.838565 1.7334495 -10.958352 1 379 1 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 0 -6.799183 2.0289493 -9.826221 1 380 1 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 0 -7.8065367 3.4918504 -10.173395 1 381 1 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 0 -8.872976 2.8466268 -11.462892 1 382 1 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 0 -3.0922065 1.088943 -12.132856 1 383 1 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 0 -2.2377512 0.9763278 -13.296309 1 384 1 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 0 -1.1977363 2.0743294 -13.321642 1 385 1 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 0 -1.1145929 2.8947387 -12.398809 1 386 1 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 0 -0.4167332 2.0712056 -14.376204 1 387 1 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 0 0.71030134 2.9879503 -14.454606 1 388 1 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 0 1.0161246 3.2858372 -15.92104 1 389 1 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 0 0.7308552 2.4692793 -16.80524 1 390 1 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 0 1.9348058 2.3888474 -13.73218 1 391 1 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 0 2.9701037 3.4631531 -13.389143 1 392 1 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 0 2.533959 1.2412188 -14.542841 1 393 1 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 0 3.9973469 2.9867098 -12.360192 1 394 1 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 0 1.5624223 4.4727383 -16.182695 1 395 1 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 0 1.9279385 4.8525453 -17.545364 1 396 1 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 0 3.275789 5.559261 -17.534199 1 397 1 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 0 3.6037717 6.279869 -16.58719 1 398 1 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 0 0.8459946 5.7666464 -18.189285 1 399 1 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 0 1.159156 6.0078974 -19.673775 1 400 1 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 0 0.7357959 7.1068115 -17.439745 1 401 1 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 0 0.038700134 6.6834917 -20.452116 1 402 1 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 0 4.0795774 5.3190775 -18.579433 1 403 1 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 0 5.313486 6.065054 -18.783512 1 404 1 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 0 5.03171 7.1168613 -19.85766 1 405 1 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 0 4.8760448 6.7687464 -21.030907 1 406 1 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 0 6.447404 5.144945 -19.215996 1 407 1 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 0 7.807811 5.7903867 -19.132233 1 408 1 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 0 8.430264 6.2757864 -20.269688 1 409 1 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 0 8.451658 5.9164577 -17.924416 1 410 1 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 0 9.674417 6.8815236 -20.19066 1 411 1 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 0 9.696887 6.52372 -17.841297 1 412 1 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 0 10.306038 7.0017934 -18.976627 1 413 1 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 0 4.9333806 8.405005 -19.473007 1 414 1 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 0 4.4811506 9.423988 -20.422981 1 415 1 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 0 5.341775 9.566446 -21.674763 1 416 1 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 0 4.8341827 9.978044 -22.720839 1 417 1 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 0 4.498702 10.717676 -19.589268 1 418 1 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 0 4.3434415 10.247615 -18.180653 1 419 1 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 0 5.11526 8.956903 -18.126965 1 420 1 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 0 6.6385546 9.2438755 -21.59597 1 421 1 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 0 7.5354395 9.4202385 -22.72348 1 422 1 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 0 7.0977097 8.693357 -23.979362 1 423 1 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 0 7.164865 9.252908 -25.07876 1 424 1 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 0 6.643262 7.433378 -23.83786 1 425 1 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 0 6.2004824 6.6578074 -24.990692 1 426 1 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 0 4.839265 6.010908 -24.774734 1 427 1 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 0 4.4338994 5.1620374 -25.574175 1 428 1 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 0 7.247376 5.595498 -25.353924 1 429 1 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 0 7.4733033 4.582109 -24.242443 1 430 1 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 0 6.796416 4.658169 -23.194431 1 431 1 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 0 8.336775 3.697721 -24.418972 1 432 1 +ATOM N N . SER A0 1 56 . 56 SER A0 N 0 4.1542873 6.39762 -23.723646 1 433 1 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 0 2.8105912 5.9163 -23.40932 1 434 1 +ATOM C C . SER A0 1 56 . 56 SER A0 C 0 2.7435513 4.4147973 -23.12634 1 435 1 +ATOM O O . SER A0 1 56 . 56 SER A0 O 0 1.6945294 3.7898839 -23.297853 1 436 1 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 0 1.8160213 6.2897916 -24.514217 1 437 1 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 0 1.6764252 7.696726 -24.598442 1 438 1 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 0 3.8430495 3.8412151 -22.66938 1 439 1 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 0 3.8400135 2.458282 -22.21243 1 440 1 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 0 2.9447646 2.36515 -20.982162 1 441 1 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 0 3.055516 3.1883373 -20.062052 1 442 1 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 0 5.2735434 2.0265188 -21.862951 1 443 1 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 0 5.4096556 0.545883 -21.582066 1 444 1 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 0 4.402507 -0.19383237 -21.663456 1 445 1 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 0 6.540155 0.10338148 -21.28436 1 446 1 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 0 2.0532184 1.3744099 -20.958733 1 447 1 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 0 1.0689485 1.2430936 -19.887651 1 448 1 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 0 1.0455111 -0.16419764 -19.319616 1 449 1 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 0 1.2691312 -1.1425625 -20.027992 1 450 1 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 0 -0.3449337 1.5820601 -20.397293 1 451 1 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 0 -0.5174836 3.0153995 -20.845573 1 452 1 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 0 -1.9182858 3.2246182 -21.416588 1 453 1 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 0 -2.0903182 2.6080298 -22.793423 1 454 1 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 0 -1.4056766 3.4059558 -23.833843 1 455 1 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 0 0.7250835 -0.24997808 -18.035454 1 456 1 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 0 0.4769488 -1.5322214 -17.391186 1 457 1 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 0 -0.6745254 -1.3692151 -16.418726 1 458 1 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 0 -0.80331004 -0.32693708 -15.75506 1 459 1 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 0 1.7140874 -2.0362372 -16.643503 1 460 1 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 0 2.906046 -2.3784733 -17.54586 1 461 1 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 0 2.6061182 -3.5668592 -18.442284 1 462 1 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 0 3.7543912 -3.974924 -19.240631 1 463 1 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 0 4.1102104 -3.4005098 -20.38201 1 464 1 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 0 3.412356 -2.3646612 -20.866146 1 465 1 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 0 5.159877 -3.8228889 -21.040749 1 466 1 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 0 -1.5231779 -2.3774157 -16.315033 1 467 1 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 0 -2.6853662 -2.3272076 -15.439695 1 468 1 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 0 -2.6564775 -3.4718297 -14.435108 1 469 1 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 0 -2.1416671 -4.5515814 -14.732386 1 470 1 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 0 -3.9859145 -2.4306335 -16.250883 1 471 1 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 0 -4.2091146 -1.3286952 -17.257145 1 472 1 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 0 -3.7873979 -1.4703863 -18.574398 1 473 1 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 0 -4.865692 -0.15666258 -16.902328 1 474 1 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 0 -3.9957204 -0.46819443 -19.506538 1 475 1 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 0 -5.0836935 0.8544215 -17.828493 1 476 1 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 0 -4.643876 0.6856413 -19.125118 1 477 1 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 0 -4.856136 1.6780422 -20.052193 1 478 1 +ATOM N N . SER A0 1 61 . 61 SER A0 N 0 -3.233757 -3.2107992 -13.276461 1 479 1 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 0 -3.496912 -4.2942247 -12.343786 1 480 1 +ATOM C C . SER A0 1 61 . 61 SER A0 C 0 -4.4795 -5.255565 -12.998062 1 481 1 +ATOM O O . SER A0 1 61 . 61 SER A0 O 0 -5.396803 -4.8181477 -13.698435 1 482 1 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 0 -4.0829678 -3.73979 -11.045549 1 483 1 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 0 -4.689932 -4.7738256 -10.280375 1 484 1 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 0 -4.314644 -6.57508 -12.805157 1 485 1 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 0 -5.274791 -7.515588 -13.379173 1 486 1 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 0 -6.713074 -7.2132015 -12.974662 1 487 1 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 0 -7.6382236 -7.4787045 -13.751917 1 488 1 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 0 -4.803916 -8.868917 -12.831427 1 489 1 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 0 -3.345408 -8.678198 -12.584606 1 490 1 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 0 -3.2047338 -7.2525196 -12.125624 1 491 1 +ATOM N N . SER A0 1 63 . 63 SER A0 N 0 -6.9153385 -6.6517324 -11.784019 1 492 1 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 0 -8.2571535 -6.3308234 -11.307761 1 493 1 +ATOM C C . SER A0 1 63 . 63 SER A0 C 0 -8.879925 -5.1402807 -12.035888 1 494 1 +ATOM O O . SER A0 1 63 . 63 SER A0 O 0 -10.091009 -4.9379187 -11.949968 1 495 1 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 0 -8.228682 -6.0555315 -9.806693 1 496 1 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 0 -7.776951 -7.1864953 -9.0848465 1 497 1 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 0 -8.06835 -4.350081 -12.72122 1 498 1 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 0 -8.561405 -3.1680222 -13.420538 1 499 1 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 0 -8.381557 -3.2472622 -14.928342 1 500 1 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 0 -8.871003 -2.3680909 -15.641904 1 501 1 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 0 -7.874748 -1.9058685 -12.871715 1 502 1 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 0 -8.272649 -1.5743511 -11.45876 1 503 1 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 0 -7.58327 -2.1183918 -10.379787 1 504 1 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 0 -9.341276 -0.72733057 -11.20212 1 505 1 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 0 -7.9590178 -1.8334439 -9.072397 1 506 1 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 0 -9.716188 -0.43477947 -9.896242 1 507 1 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 0 -9.0210905 -0.9860796 -8.831244 1 508 1 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 0 -7.716921 -4.3010416 -15.406814 1 509 1 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 0 -7.4894047 -4.4754295 -16.841042 1 510 1 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 0 -8.823037 -4.4951515 -17.596046 1 511 1 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 0 -9.719493 -5.2680864 -17.254936 1 512 1 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 0 -6.7367506 -5.7759695 -17.091623 1 513 1 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 0 -6.424148 -6.053788 -18.553284 1 514 1 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 0 -5.3350635 -5.153885 -19.09622 1 515 1 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 0 -5.587741 -4.335115 -19.974075 1 516 1 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 0 -4.1292844 -5.3129435 -18.565193 1 517 1 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 0 -8.940426 -3.6332114 -18.593231 1 518 1 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 0 -10.149439 -3.554976 -19.393192 1 519 1 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 0 -11.268882 -2.7421997 -18.782654 1 520 1 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 0 -12.300726 -2.5469353 -19.43364 1 521 1 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 0 -11.082446 -2.278966 -17.549835 1 522 1 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 0 -12.1231365 -1.5150816 -16.866428 1 523 1 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 0 -11.90632 -0.015039301 -16.99321 1 524 1 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 0 -12.866921 0.74819845 -16.961273 1 525 1 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 0 -12.185772 -1.9044881 -15.383778 1 526 1 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 0 -12.30905 -3.4047585 -15.143414 1 527 1 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 0 -13.515783 -4.0014296 -15.845608 1 528 1 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 0 -14.618797 -3.4690702 -15.776222 1 529 1 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 0 -13.306954 -5.127939 -16.547375 1 530 1 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 0 -10.658848 0.39014181 -17.102432 1 531 1 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 0 -10.297028 1.7963405 -17.256014 1 532 1 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 0 -9.213757 1.9068137 -18.31895 1 533 1 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 0 -8.600152 0.9117978 -18.704277 1 534 1 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 0 -9.780184 2.4110427 -15.930317 1 535 1 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 0 -10.903551 2.474833 -14.887649 1 536 1 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 0 -8.5941305 1.6015627 -15.408117 1 537 1 +ATOM N N . THR A0 1 69 . 69 THR A0 N 0 -8.982077 3.1274838 -18.787605 1 538 1 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 0 -7.9097967 3.3826978 -19.740852 1 539 1 +ATOM C C . THR A0 1 69 . 69 THR A0 C 0 -7.034487 4.510439 -19.203693 1 540 1 +ATOM O O . THR A0 1 69 . 69 THR A0 O 0 -7.543986 5.5596404 -18.806904 1 541 1 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 0 -8.463463 3.7734234 -21.122272 1 542 1 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 0 -9.256588 2.7021642 -21.641794 1 543 1 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 0 -7.3305926 4.080755 -22.095291 1 544 1 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 0 -5.731471 4.2622223 -19.155327 1 545 1 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 0 -4.7712793 5.2782903 -18.744987 1 546 1 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 0 -4.0833015 5.8093815 -19.998915 1 547 1 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 0 -3.7108173 5.038321 -20.886864 1 548 1 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 0 -3.732326 4.700594 -17.763964 1 549 1 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 0 -4.437546 4.170038 -16.507895 1 550 1 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 0 -2.6958013 5.7649784 -17.393274 1 551 1 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 0 -3.5177765 3.414174 -15.556962 1 552 1 +ATOM N N . SER A0 1 71 . 71 SER A0 N 0 -3.9355621 7.118744 -20.081814 1 553 1 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 0 -3.279076 7.746546 -21.227163 1 554 1 +ATOM C C . SER A0 1 71 . 71 SER A0 C 0 -2.4811995 8.953451 -20.76241 1 555 1 +ATOM O O . SER A0 1 71 . 71 SER A0 O 0 -2.5948014 9.380703 -19.61346 1 556 1 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 0 -4.305552 8.160819 -22.291115 1 557 1 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 0 -5.239309 9.083269 -21.76376 1 558 1 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 0 -1.6590437 9.477335 -21.655731 1 559 1 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 0 -0.84256387 10.629513 -21.31496 1 560 1 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 0 -0.7144612 11.580014 -22.49385 1 561 1 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 0 -0.7726753 11.171474 -23.649366 1 562 1 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 0 0.548843 10.186277 -20.85735 1 563 1 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 0 -0.57392496 12.848049 -22.181343 1 564 1 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 0 -0.28282857 13.885012 -23.17345 1 565 1 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 0 0.9341699 14.631294 -22.641747 1 566 1 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 0 0.8060055 15.545673 -21.82765 1 567 1 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 0 -1.4794095 14.836195 -23.349277 1 568 1 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 0 -1.2603866 15.851278 -24.466824 1 569 1 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 0 -0.10156109 16.013828 -24.91391 1 570 1 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 0 -2.2481737 16.487589 -24.892982 1 571 1 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 0 2.1138966 14.207746 -23.116383 1 572 1 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 0 3.333527 14.794781 -22.571873 1 573 1 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 0 3.533018 16.249733 -22.982597 1 574 1 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 0 4.3097553 16.960823 -22.355976 1 575 1 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 0 4.5568976 13.961105 -22.968029 1 576 1 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 0 4.75851 13.787774 -24.461113 1 577 1 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 0 5.9726954 12.884862 -24.712114 1 578 1 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 0 6.1189785 12.559222 -26.183956 1 579 1 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 0 7.258212 11.626338 -26.4058 1 580 1 +ATOM N N . SER A0 1 75 . 75 SER A0 N 0 2.807148 16.707012 -24.03811 1 581 1 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 0 2.931632 18.10315 -24.457434 1 582 1 +ATOM C C . SER A0 1 75 . 75 SER A0 C 0 2.3801026 19.060684 -23.407745 1 583 1 +ATOM O O . SER A0 1 75 . 75 SER A0 O 0 2.8043776 20.220768 -23.347383 1 584 1 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 0 2.2132003 18.332458 -25.791876 1 585 1 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 0 0.80779046 18.24086 -25.654799 1 586 1 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 0 1.4453331 18.578712 -22.572071 1 587 1 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 0 0.90557534 19.39434 -21.491901 1 588 1 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 0 1.1556336 18.758503 -20.132063 1 589 1 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 0 0.5117111 19.114197 -19.138828 1 590 1 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 0 -0.6026249 19.673286 -21.677567 1 591 1 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 0 -1.383564 18.372995 -21.794977 1 592 1 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 0 -0.83708614 20.55862 -22.900997 1 593 1 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 0 -2.8955865 18.553972 -21.767393 1 594 1 +ATOM N N . SER A0 1 77 . 77 SER A0 N 0 2.0885148 17.813648 -20.073086 1 595 1 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 0 2.5090628 17.170395 -18.830902 1 596 1 +ATOM C C . SER A0 1 77 . 77 SER A0 C 0 1.3228148 16.646378 -18.029638 1 597 1 +ATOM O O . SER A0 1 77 . 77 SER A0 O 0 1.2450548 16.83189 -16.81409 1 598 1 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 0 3.33564 18.140528 -17.980137 1 599 1 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 0 4.480977 18.595543 -18.67266 1 600 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 0.40784752 15.959194 -18.718914 1 601 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 -0.80746645 15.492249 -18.073997 1 602 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 -1.0632827 14.019686 -18.378466 1 603 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 -0.92089194 13.578958 -19.523537 1 604 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 -2.018797 16.32748 -18.520542 1 605 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 -1.7902887 17.704319 -18.19358 1 606 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -3.2978237 15.860797 -17.837292 1 607 1 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 0 -1.4324112 13.263109 -17.334965 1 608 1 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 0 -1.8818511 11.89278 -17.511524 1 609 1 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 0 -3.3681698 11.833277 -17.181816 1 610 1 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 0 -3.890612 12.6561985 -16.426842 1 611 1 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 0 -1.0963418 10.891846 -16.630768 1 612 1 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 0 0.38229406 10.909861 -16.994766 1 613 1 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 0 -1.3015993 11.186081 -15.158985 1 614 1 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 0 -4.057271 10.832306 -17.763905 1 615 1 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 0 -5.5000854 10.709921 -17.620918 1 616 1 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 0 -5.901001 9.307271 -17.18783 1 617 1 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 0 -5.2224617 8.3264885 -17.495934 1 618 1 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 0 -6.2106276 11.035903 -18.94083 1 619 1 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 0 -5.8843822 12.401823 -19.494923 1 620 1 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 0 -4.8996954 12.570539 -20.456814 1 621 1 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 0 -6.572985 13.522768 -19.051815 1 622 1 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 0 -4.5987844 13.820882 -20.9607 1 623 1 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 0 -6.2776623 14.781984 -19.552399 1 624 1 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 0 -5.2908115 14.920733 -20.505592 1 625 1 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 0 -4.990902 16.159126 -21.00188 1 626 1 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 0 -7.0063705 9.257095 -16.483528 1 627 1 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 0 -7.6772804 8.009099 -16.140087 1 628 1 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 0 -9.101906 8.142384 -16.652735 1 629 1 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 0 -9.783583 9.122459 -16.330269 1 630 1 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 0 -7.6771865 7.7834783 -14.624986 1 631 1 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 0 -8.389681 6.5202065 -14.122662 1 632 1 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 0 -8.513422 6.5668936 -12.597414 1 633 1 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 0 -7.6577015 5.2662373 -14.569904 1 634 1 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 0 -9.552767 7.1813536 -17.46162 1 635 1 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 0 -10.879755 7.3347635 -18.050184 1 636 1 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 0 -11.681507 6.038774 -18.044695 1 637 1 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 0 -11.123785 4.9402704 -18.060678 1 638 1 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 0 -10.794894 7.8869348 -19.476055 1 639 1 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 0 -10.045178 7.016576 -20.465717 1 640 1 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 0 -9.939016 7.690185 -21.82151 1 641 1 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 0 -10.865292 8.355221 -22.272402 1 642 1 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 0 -8.792318 7.542507 -22.47554 1 643 1 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 0 -12.983507 6.2168703 -18.003162 1 644 1 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 0 -13.963612 5.143163 -18.073496 1 645 1 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 0 -14.856514 5.400834 -19.29018 1 646 1 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 0 -15.259159 6.5421386 -19.551569 1 647 1 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 0 -14.864908 5.1142282 -16.835886 1 648 1 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 0 -14.201542 4.8415813 -15.5233555 1 649 1 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 0 -14.182094 3.6523242 -14.8577385 1 650 1 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 0 -13.496046 5.7673492 -14.696018 1 651 1 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 0 -13.514864 3.7969315 -13.6701975 1 652 1 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 0 -13.071505 5.076787 -13.551094 1 653 1 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 0 -13.166016 7.127454 -14.825822 1 654 1 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 0 -12.345921 5.6946626 -12.530031 1 655 1 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 0 -12.44613 7.732256 -13.813187 1 656 1 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 0 -12.037655 7.008173 -12.686709 1 657 1 +ATOM N N . SER A0 1 84 . 84 SER A0 N 0 -15.185326 4.3386393 -20.001205 1 658 1 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 0 -16.144094 4.4757023 -21.097174 1 659 1 +ATOM C C . SER A0 1 84 . 84 SER A0 C 0 -17.578213 4.328509 -20.598331 1 660 1 +ATOM O O . SER A0 1 84 . 84 SER A0 O 0 -18.507639 4.85233 -21.208752 1 661 1 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 0 -15.870384 3.4221363 -22.1758 1 662 1 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 0 -16.010517 2.1216094 -21.649416 1 663 1 +ATOM N N . SER A0 1 85 . 85 SER A0 N 0 -17.729223 3.6126137 -19.486822 1 664 1 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 0 -19.04747 3.3970242 -18.896618 1 665 1 +ATOM C C . SER A0 1 85 . 85 SER A0 C 0 -18.88876 3.2151325 -17.389378 1 666 1 +ATOM O O . SER A0 1 85 . 85 SER A0 O 0 -18.457024 2.1606197 -16.925766 1 667 1 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 0 -19.731617 2.18355 -19.520332 1 668 1 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 0 -21.03075 1.9835297 -18.96876 1 669 1 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 0 -19.254696 4.2476707 -16.6376 1 670 1 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 0 -19.092995 4.2280064 -15.19205 1 671 1 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 0 -20.114574 3.3162827 -14.5225525 1 672 1 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 0 -21.24583 3.1659832 -15.001622 1 673 1 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 0 -19.224373 5.643919 -14.620569 1 674 1 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 0 -18.054998 6.5885344 -14.858595 1 675 1 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 0 -18.500814 8.03509 -14.642469 1 676 1 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 0 -16.910002 6.237739 -13.911476 1 677 1 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 0 -19.689234 2.722157 -13.401718 1 678 1 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 0 -20.555218 1.9235947 -12.546281 1 679 1 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 0 -20.623219 2.5925605 -11.186782 1 680 1 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 0 -19.711021 3.3332615 -10.795559 1 681 1 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 0 -20.011562 0.49554396 -12.399006 1 682 1 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 0 -19.865597 -0.23910162 -13.708816 1 683 1 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 0 -19.233536 -1.620038 -13.482322 1 684 1 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 0 -17.805254 -1.5262947 -13.005394 1 685 1 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 0 -16.882153 -0.9737655 -14.050987 1 686 1 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 0 -21.702995 2.3126361 -10.451635 1 687 1 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 0 -21.843155 2.8828719 -9.113957 1 688 1 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 0 -20.67643 2.479811 -8.221753 1 689 1 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 0 -20.258944 3.241868 -7.3449454 1 690 1 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 0 -23.170443 2.4552402 -8.493267 1 691 1 +ATOM N N . SER A0 1 89 . 89 SER A0 N 0 -20.138636 1.2789065 -8.455135 1 692 1 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 0 -19.026701 0.77802885 -7.660326 1 693 1 +ATOM C C . SER A0 1 89 . 89 SER A0 C 0 -17.714626 1.5069177 -7.9459066 1 694 1 +ATOM O O . SER A0 1 89 . 89 SER A0 O 0 -16.714478 1.2436323 -7.278649 1 695 1 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 0 -18.851337 -0.7300979 -7.8872213 1 696 1 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 0 -18.624966 -1.0185884 -9.247914 1 697 1 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 0 -17.707455 2.4041817 -8.937433 1 698 1 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 0 -16.522831 3.2085717 -9.217199 1 699 1 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 0 -16.40707 4.411667 -8.287235 1 700 1 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 0 -15.419762 5.146078 -8.360359 1 701 1 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 0 -16.53624 3.7007408 -10.677486 1 702 1 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 0 -16.34512 2.5663834 -11.668062 1 703 1 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 0 -17.010557 2.595841 -12.734701 1 704 1 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 0 -15.524614 1.6574546 -11.383326 1 705 1 +ATOM N N . THR A0 1 91 . 91 THR A0 N 0 -17.39716 4.6256485 -7.4352446 1 706 1 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 0 -17.35449 5.720256 -6.476302 1 707 1 +ATOM C C . THR A0 1 91 . 91 THR A0 C 0 -16.149357 5.543956 -5.5551763 1 708 1 +ATOM O O . THR A0 1 91 . 91 THR A0 O 0 -16.050022 4.5495586 -4.8422055 1 709 1 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 0 -18.648762 5.785503 -5.651257 1 710 1 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 0 -19.755875 6.071807 -6.5117936 1 711 1 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 0 -18.555588 6.853183 -4.5680428 1 712 1 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 0 -15.237245 6.4976187 -5.597415 1 713 1 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 0 -14.012928 6.3934765 -4.8180265 1 714 1 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 0 -13.173253 7.646308 -4.9903464 1 715 1 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 0 -13.449625 8.49119 -5.8428373 1 716 1 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 0 -13.201748 5.163309 -5.243273 1 717 1 +ATOM N N . MET A0 1 93 . 93 MET A0 N 0 -12.128007 7.7497387 -4.1584134 1 718 1 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 0 -11.103123 8.762409 -4.338485 1 719 1 +ATOM C C . MET A0 1 93 . 93 MET A0 C 0 -10.01861 8.160463 -5.2192445 1 720 1 +ATOM O O . MET A0 1 93 . 93 MET A0 O 0 -9.611481 7.008766 -5.013193 1 721 1 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 0 -10.513086 9.184273 -2.9879858 1 722 1 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 0 -9.4638195 10.278717 -3.0777597 1 723 1 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 0 -10.166174 11.887217 -3.4910626 1 724 1 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 0 -10.991692 12.276144 -1.940325 1 725 1 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 0 -9.5706005 8.91069 -6.209115 1 726 1 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 0 -8.529865 8.45079 -7.117777 1 727 1 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 0 -7.302607 9.349369 -6.999275 1 728 1 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 0 -7.412793 10.578589 -7.093919 1 729 1 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 0 -9.047094 8.420683 -8.564125 1 730 1 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 0 -10.142659 7.403686 -8.769373 1 731 1 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 0 -11.477535 7.730512 -8.530931 1 732 1 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 0 -9.846349 6.1036043 -9.163653 1 733 1 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 0 -12.485195 6.7873735 -8.681038 1 734 1 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 0 -10.84816 5.153207 -9.321552 1 735 1 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 0 -12.159975 5.501865 -9.076474 1 736 1 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 0 -13.15253 4.5664706 -9.2210865 1 737 1 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 0 -6.1486826 8.72538 -6.7698774 1 738 1 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 0 -4.8930607 9.445463 -6.63073 1 739 1 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 0 -3.9490936 9.118053 -7.783434 1 740 1 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 0 -3.8698013 7.9641876 -8.216486 1 741 1 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 0 -4.1799693 9.06794 -5.3271585 1 742 1 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 0 -4.89136 9.466997 -4.0611415 1 743 1 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 0 -5.611119 8.530733 -3.3228645 1 744 1 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 0 -4.8151646 10.769286 -3.576002 1 745 1 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 0 -6.2445583 8.888769 -2.1469657 1 746 1 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 0 -5.4495063 11.13106 -2.3978252 1 747 1 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 0 -6.156908 10.187359 -1.6909589 1 748 1 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 0 -6.77807 10.535147 -0.53025985 1 749 1 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 0 -3.237277 10.11932 -8.269576 1 750 1 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 0 -2.1045392 9.87211 -9.155512 1 751 1 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 0 -0.842361 10.066057 -8.33545 1 752 1 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 0 -0.84197253 10.775585 -7.323495 1 753 1 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 0 -2.113071 10.806528 -10.371456 1 754 1 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 0 -1.924108 12.564856 -10.00755 1 755 1 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 0 0.23388544 9.379948 -8.73528 1 756 1 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 0 1.4740223 9.461799 -7.9794183 1 757 1 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 0 2.6579459 9.154919 -8.887175 1 758 1 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 0 2.558585 8.325029 -9.791467 1 759 1 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 0 1.4496481 8.498703 -6.791857 1 760 1 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 0 3.7912884 9.845909 -8.642699 1 761 1 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 0 5.000147 9.628437 -9.421645 1 762 1 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 0 5.7141256 8.381439 -8.930311 1 763 1 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 0 5.9583697 8.231534 -7.7278438 1 764 1 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 0 5.9399996 10.835905 -9.331937 1 765 1 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 0 7.1223 10.738629 -10.295383 1 766 1 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 0 8.054235 11.927431 -10.156237 1 767 1 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 0 8.943953 11.794788 -8.999849 1 768 1 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 0 10.018328 12.542494 -8.801078 1 769 1 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 0 10.360105 13.470799 -9.682573 1 770 1 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 0 10.751949 12.358926 -7.71665 1 771 1 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 0 6.038563 7.502964 -9.868108 1 772 1 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 0 6.6774316 6.22993 -9.53874 1 773 1 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 0 8.185041 6.3015413 -9.774694 1 774 1 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 0 8.632902 6.630641 -10.882576 1 775 1 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 0 6.0716305 5.1009073 -10.381248 1 776 1 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 0 6.490497 3.728261 -9.952155 1 777 1 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 0 7.1629343 2.8668308 -10.788456 1 778 1 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 0 6.308222 3.0627737 -8.795729 1 779 1 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 0 7.3793416 1.7215484 -10.150909 1 780 1 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 0 6.871733 1.8229437 -8.929446 1 781 1 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 0 8.944027 6.0106072 -8.733103 1 782 1 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 0 10.399601 5.960093 -8.796667 1 783 1 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 0 10.830513 4.4952736 -8.872934 1 784 1 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 0 10.356527 3.6682224 -8.09808 1 785 1 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 0 11.050507 6.620348 -7.5604124 1 786 1 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 0 10.666257 8.102592 -7.482076 1 787 1 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 0 12.567667 6.442643 -7.5924797 1 788 1 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 0 11.244429 8.959164 -8.588964 1 789 1 +ATOM N N . THR A0 1 101 . 101 THR A0 N 0 11.713091 4.190633 -9.823435 1 790 1 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 0 12.265544 2.8468568 -9.920742 1 791 1 +ATOM C C . THR A0 1 101 . 101 THR A0 C 0 13.76066 2.9053764 -9.611884 1 792 1 +ATOM O O . THR A0 1 101 . 101 THR A0 O 0 14.529257 3.537045 -10.344162 1 793 1 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 0 12.053239 2.2407572 -11.317068 1 794 1 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 0 12.548925 3.1323643 -12.310621 1 795 1 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 0 10.577687 1.9719479 -11.574432 1 796 1 +ATOM N N . THR A0 1 102 . 102 THR A0 N 0 14.170533 2.276355 -8.514303 1 797 1 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 0 15.586331 2.2114096 -8.17585 1 798 1 +ATOM C C . THR A0 1 102 . 102 THR A0 C 0 16.306152 1.2088233 -9.064894 1 799 1 +ATOM O O . THR A0 1 102 . 102 THR A0 O 0 17.505787 1.3388402 -9.30386 1 800 1 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 0 15.789546 1.8556917 -6.6930294 1 801 1 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 0 15.102307 0.63906664 -6.387434 1 802 1 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 0 15.261633 2.9663572 -5.793666 1 803 1 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 0 15.591144 0.21557315 -9.535835 1 804 1 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 0 15.993087 -0.67610437 -10.608805 1 805 1 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 0 14.760025 -1.4199195 -11.074882 1 806 1 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 0 13.654779 -1.1510067 -10.589562 1 807 1 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 0 17.122633 -1.6257074 -10.191392 1 808 1 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 0 16.783266 -2.6016624 -9.106934 1 809 1 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 0 15.905991 -3.6521325 -9.296338 1 810 1 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 0 17.2243 -2.7076435 -7.840448 1 811 1 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 0 15.818164 -4.356797 -8.17454 1 812 1 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 0 16.612188 -3.7892854 -7.2779274 1 813 1 +ATOM N N . THR A0 1 104 . 104 THR A0 N 0 14.900066 -2.3466902 -12.012831 1 814 1 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 0 13.766206 -3.010833 -12.628161 1 815 1 +ATOM C C . THR A0 1 104 . 104 THR A0 C 0 12.811192 -3.632423 -11.616795 1 816 1 +ATOM O O . THR A0 1 104 . 104 THR A0 O 0 11.596147 -3.6711378 -11.842129 1 817 1 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 0 14.252094 -4.0888567 -13.609896 1 818 1 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 0 15.141639 -3.4944804 -14.561043 1 819 1 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 0 13.07902 -4.728098 -14.356508 1 820 1 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 0 13.321874 -4.1001024 -10.494723 1 821 1 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 0 12.529129 -4.849795 -9.536581 1 822 1 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 0 12.224978 -4.1015835 -8.240292 1 823 1 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 0 11.752968 -4.711569 -7.280401 1 824 1 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 0 13.2170515 -6.1764116 -9.217419 1 825 1 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 0 13.471608 -7.0064783 -10.459236 1 826 1 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 0 14.743363 -7.1017666 -11.016621 1 827 1 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 0 12.42743 -7.6745563 -11.092707 1 828 1 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 0 14.96493 -7.8486676 -12.162345 1 829 1 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 0 12.6488 -8.42304 -12.238778 1 830 1 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 0 13.913838 -8.509876 -12.770132 1 831 1 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 0 14.139575 -9.243034 -13.901939 1 832 1 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 0 12.486582 -2.8001864 -8.190314 1 833 1 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 0 12.157929 -1.9903177 -7.0252156 1 834 1 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 0 11.445816 -0.7299674 -7.476797 1 835 1 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 0 11.848296 -0.11616171 -8.465096 1 836 1 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 0 13.415477 -1.5846311 -6.2366185 1 837 1 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 0 14.176136 -2.712552 -5.5984497 1 838 1 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 0 15.263721 -2.1031923 -4.7415986 1 839 1 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 0 16.295906 -3.0403347 -4.370164 1 840 1 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 0 17.426489 -2.7042718 -3.7606585 1 841 1 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 0 18.303019 -3.6233945 -3.4688127 1 842 1 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 0 17.651333 -1.4301875 -3.4623952 1 843 1 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 0 10.433016 -0.33928332 -6.718751 1 844 1 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 0 9.722025 0.8759267 -7.060832 1 845 1 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 0 8.817579 1.3467971 -5.9370384 1 846 1 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 0 8.38756 0.5589712 -5.0956583 1 847 1 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 0 8.52838 2.6457155 -5.941497 1 848 1 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 0 7.6680646 3.2526708 -4.938304 1 849 1 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 0 7.142628 4.5718765 -5.4703736 1 850 1 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 0 7.6409645 5.097418 -6.4700117 1 851 1 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 0 8.4253 3.4664319 -3.6148858 1 852 1 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 0 9.7098465 4.2390018 -3.7822015 1 853 1 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 0 10.900677 3.5801563 -4.031563 1 854 1 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 0 9.718869 5.6244984 -3.7028317 1 855 1 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 0 12.090015 4.2898874 -4.1903224 1 856 1 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 0 10.897762 6.328596 -3.8612013 1 857 1 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 0 12.07946 5.6661654 -4.10503 1 858 1 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 0 6.123705 5.1249185 -4.797576 1 859 1 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 0 5.5458946 6.4081254 -5.171611 1 860 1 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 0 6.031884 7.4779463 -4.200573 1 861 1 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 0 5.7091384 7.4263506 -3.0112398 1 862 1 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 0 4.012656 6.335157 -5.144783 1 863 1 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 0 3.4236798 5.389138 -6.1642365 1 864 1 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 0 2.7376282 4.2531986 -5.7658777 1 865 1 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 0 3.548003 5.6494837 -7.5198393 1 866 1 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 0 2.186057 3.3877463 -6.704465 1 867 1 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 0 3.0037308 4.793314 -8.463689 1 868 1 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 0 2.3162277 3.660317 -8.0510845 1 869 1 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 0 6.8104935 8.440931 -4.686656 1 870 1 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 0 7.359866 9.443693 -3.7744393 1 871 1 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 0 6.530734 10.715815 -3.6935306 1 872 1 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 0 6.575885 11.405933 -2.6697702 1 873 1 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 0 8.821769 9.770008 -4.106757 1 874 1 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 0 9.039617 10.390063 -5.4805374 1 875 1 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 0 8.116415 10.358145 -6.317047 1 876 1 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 0 10.15266 10.921824 -5.7111382 1 877 1 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 0 5.778901 11.067333 -4.7239428 1 878 1 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 0 4.9188676 12.245783 -4.694529 1 879 1 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 0 3.522263 11.874033 -5.1731663 1 880 1 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 0 3.3812795 11.149386 -6.1578045 1 881 1 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 0 5.495407 13.380244 -5.5501113 1 882 1 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 0 6.693754 14.048204 -4.93379 1 883 1 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 0 7.981657 13.63953 -5.2588644 1 884 1 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 0 6.53424 15.07729 -4.0203905 1 885 1 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 0 9.087673 14.241241 -4.6831007 1 886 1 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 0 7.6403294 15.687424 -3.4396844 1 887 1 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 0 8.914671 15.267932 -3.7745974 1 888 1 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 0 2.5185194 12.383283 -4.469656 1 889 1 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 0 1.127321 12.069883 -4.75865 1 890 1 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 0 0.3311144 13.330429 -5.065135 1 891 1 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 0 0.6008737 14.40241 -4.5147505 1 892 1 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 0 0.47050592 11.367996 -3.5571847 1 893 1 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 0 1.0363412 10.0275955 -3.2240682 1 894 1 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 0 2.294328 9.750946 -2.7734313 1 895 1 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 0 0.34096566 8.780835 -3.2877378 1 896 1 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 0 2.4302068 8.4042015 -2.5493429 1 897 1 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 0 1.24489 7.7830467 -2.8689814 1 898 1 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 0 -0.96201473 8.403069 -3.665523 1 899 1 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 0 0.8945098 6.4328756 -2.8005505 1 900 1 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 0 -1.308645 7.067893 -3.6073422 1 901 1 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 0 -0.38942498 6.0983615 -3.181362 1 902 1 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 0 -0.67428935 13.181639 -5.938545 1 903 1 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 0 -1.6302168 14.26139 -6.164667 1 904 1 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 0 -2.5794125 14.363508 -4.985604 1 905 1 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 0 -2.5972693 13.5079975 -4.100651 1 906 1 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 0 -3.3997602 15.40789 -4.978388 1 907 1 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 0 -4.3037243 15.6406555 -3.857549 1 908 1 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 0 -5.5260887 14.73963 -3.8956604 1 909 1 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 0 -6.2654715 14.667196 -2.9083648 1 910 1 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 0 -4.740596 17.119934 -3.8183007 1 911 1 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 0 -5.894512 17.488426 -4.773096 1 912 1 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 0 -5.4497337 17.762714 -6.2039003 1 913 1 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 0 -4.3232794 17.40103 -6.611192 1 914 1 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 0 -6.3408413 18.396706 -6.9701247 1 915 1 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 0 -5.750639 14.056145 -5.00025 1 916 1 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 0 -6.8866205 13.160433 -5.128135 1 917 1 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 0 -8.066185 13.780047 -5.865229 1 918 1 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 0 -8.258796 14.99523 -5.8359737 1 919 1 +ATOM N N . THR A0 1 116 . 116 THR A0 N 0 -8.836698 12.924767 -6.5372567 1 920 1 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 0 -10.055461 13.344389 -7.2192783 1 921 1 +ATOM C C . THR A0 1 116 . 116 THR A0 C 0 -11.184198 12.423117 -6.764162 1 922 1 +ATOM O O . THR A0 1 116 . 116 THR A0 O 0 -11.107357 11.207287 -6.943548 1 923 1 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 0 -9.91169 13.258899 -8.7514 1 924 1 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 0 -8.894348 14.15725 -9.195721 1 925 1 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 0 -11.231811 13.607805 -9.436126 1 926 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 -12.228609 13.006347 -6.1726713 1 927 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 -13.369965 12.22408 -5.727662 1 928 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 -14.340988 12.031118 -6.8876085 1 929 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 -14.790452 13.008419 -7.501747 1 930 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 -14.084082 12.910332 -4.5584517 1 931 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 -15.325906 12.186205 -4.0260897 1 932 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 -16.04227 13.041704 -2.9925961 1 933 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 -14.962209 10.817783 -3.4602418 1 934 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 -14.641436 10.769659 -7.194875 1 935 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 -15.592964 10.436134 -8.246243 1 936 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 -16.807549 9.79166 -7.599117 1 937 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 -16.680471 8.791691 -6.889962 1 938 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 -14.976433 9.482912 -9.292866 1 939 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 -16.032745 9.038456 -10.299034 1 940 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 -13.800777 10.159353 -9.997784 1 941 1 +ATOM N N . THR A0 1 119 . 119 THR A0 N 0 -17.980679 10.3744755 -7.8225727 1 942 1 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 0 -19.226822 9.842171 -7.29817 1 943 1 +ATOM C C . THR A0 1 119 . 119 THR A0 C 0 -20.0998 9.407682 -8.472392 1 944 1 +ATOM O O . THR A0 1 119 . 119 THR A0 O 0 -20.374949 10.205925 -9.376207 1 945 1 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 0 -19.969952 10.888149 -6.449495 1 946 1 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 0 -19.12886 11.304223 -5.3646317 1 947 1 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 0 -21.269947 10.317023 -5.8974123 1 948 1 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 0 -20.504929 8.141094 -8.466358 1 949 1 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 0 -21.334091 7.6026316 -9.538639 1 950 1 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 0 -22.649529 7.126604 -8.943525 1 951 1 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 0 -22.672922 6.2320232 -8.1021385 1 952 1 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 0 -20.635502 6.440997 -10.277815 1 953 1 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 0 -21.469597 5.999783 -11.470153 1 954 1 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 0 -19.23375 6.849639 -10.718134 1 955 1 +ATOM N N . SER A0 1 121 . 121 SER A0 N 0 -23.734856 7.726994 -9.378199 1 956 1 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 0 -25.046339 7.388005 -8.846672 1 957 1 +ATOM C C . SER A0 1 121 . 121 SER A0 C 0 -26.129765 7.8092885 -9.834885 1 958 1 +ATOM O O . SER A0 1 121 . 121 SER A0 O 0 -25.962276 8.793645 -10.562126 1 959 1 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 0 -25.270613 8.07048 -7.4996824 1 960 1 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 0 -26.595741 7.873745 -7.0364723 1 961 1 +ATOM N N . SER A0 1 122 . 122 SER A0 N 0 -27.244015 7.0554504 -9.832622 1 962 1 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 0 -28.390545 7.4260693 -10.654336 1 963 1 +ATOM C C . SER A0 1 122 . 122 SER A0 C 0 -29.24163 8.507042 -10.001541 1 964 1 +ATOM O O . SER A0 1 122 . 122 SER A0 O 0 -30.178556 9.019495 -10.619455 1 965 1 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 0 -29.261082 6.1948566 -10.943926 1 966 1 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 0 -29.75629 5.6242857 -9.741121 1 967 1 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 0 -28.915726 8.837659 -8.747301 1 968 1 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 0 -29.669693 9.840647 -8.013301 1 969 1 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 0 -29.469929 11.222943 -8.61859 1 970 1 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 0 -28.40506 11.538607 -9.137058 1 971 1 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 0 -29.266577 9.839697 -6.5434303 1 972 1 +ATOM N N . SER A0 1 124 . 124 SER A0 N 0 -30.521818 12.023699 -8.520751 1 973 1 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 0 -30.448326 13.4140215 -8.954937 1 974 1 +ATOM C C . SER A0 1 124 . 124 SER A0 C 0 -30.151756 14.306297 -7.7585535 1 975 1 +ATOM O O . SER A0 1 124 . 124 SER A0 O 0 -30.42165 13.937815 -6.609887 1 976 1 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 0 -31.764765 13.848677 -9.603645 1 977 1 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 0 -32.072754 13.06263 -10.743703 1 978 1 +ATOM N N . THR A0 1 125 . 125 THR A0 N 0 -29.575436 15.454324 -8.052146 1 979 1 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 0 -29.28107 16.400002 -6.9785576 1 980 1 +ATOM C C . THR A0 1 125 . 125 THR A0 C 0 -30.55703 16.714716 -6.2050295 1 981 1 +ATOM O O . THR A0 1 125 . 125 THR A0 O 0 -31.58405 17.055342 -6.792927 1 982 1 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 0 -28.681637 17.699005 -7.545562 1 983 1 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 0 -27.453629 17.401932 -8.215115 1 984 1 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 0 -28.428902 18.716076 -6.4417725 1 985 1 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 0 -30.46908 16.571417 -4.899048 1 986 1 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 0 -31.631317 16.777348 -4.0536504 1 987 1 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 0 -31.19693 17.35196 -2.7127855 1 988 1 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 0 -30.25214 16.862122 -2.089326 1 989 1 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 0 -32.37863 15.458441 -3.8360176 1 990 1 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 0 -33.608677 15.57751 -2.9421563 1 991 1 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 0 -34.282967 14.232194 -2.7387152 1 992 1 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 0 -35.5345 14.342919 -1.8711336 1 993 1 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 0 -35.207756 14.880468 -0.51515794 1 994 1 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 0 -31.899109 18.378664 -2.2867646 1 995 1 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 0 -31.631113 18.963276 -0.98291427 1 996 1 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 0 -32.19098 18.098986 0.12890126 1 997 1 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 0 -33.12799 17.32694 -0.07847414 1 998 1 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 0 -31.629257 18.220127 1.3304958 1 999 1 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 0 -32.056633 17.352943 2.431835 1 1000 1 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 0 -33.34159 17.813478 3.0995703 1 1001 1 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 0 -33.692207 18.998074 3.0563815 1 1002 1 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 0 -30.890581 17.452124 3.4208179 1 1003 1 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 0 -30.382582 18.841461 3.2215052 1 1004 1 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 0 -30.50847 19.104828 1.7295797 1 1005 1 +ATOM N N . SER A0 1 129 . 129 SER A0 N 0 -34.01611 16.848953 3.705653 1 1006 1 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 0 -35.086876 17.146696 4.6548233 1 1007 1 +ATOM C C . SER A0 1 129 . 129 SER A0 C 0 -34.434216 17.134327 6.0252366 1 1008 1 +ATOM O O . SER A0 1 129 . 129 SER A0 O 0 -33.622925 16.24545 6.3197565 1 1009 1 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 0 -36.200394 16.100784 4.583867 1 1010 1 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 0 -36.794456 16.056095 3.293943 1 1011 1 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 0 -34.746162 18.105743 6.839196 1 1012 1 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 0 -34.12556 18.218777 8.153866 1 1013 1 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 0 -35.190666 17.99963 9.224375 1 1014 1 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 0 -36.16987 18.744158 9.307093 1 1015 1 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 0 -33.4365 19.586176 8.343677 1 1016 1 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 0 -32.742096 19.652538 9.699451 1 1017 1 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 0 -32.435673 19.832775 7.2168474 1 1018 1 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 0 -34.97937 16.97041 10.033812 1 1019 1 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 0 -35.928696 16.607876 11.08045 1 1020 1 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 0 -35.275276 16.74562 12.449308 1 1021 1 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 0 -34.085587 16.449501 12.601395 1 1022 1 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 0 -36.430527 15.169123 10.893623 1 1023 1 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 0 -37.055424 14.91814 9.553007 1 1024 1 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 0 -36.489433 14.011042 8.672855 1 1025 1 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 0 -38.20898 15.586397 9.186972 1 1026 1 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 0 -37.07084 13.779603 7.4392643 1 1027 1 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 0 -38.79216 15.363466 7.951875 1 1028 1 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 0 -38.218185 14.453962 7.080636 1 1029 1 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 0 -36.05391 17.166018 13.44426 1 1030 1 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 0 -35.472015 17.320072 14.776351 1 1031 1 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 0 -35.324947 15.987683 15.495773 1 1032 1 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 0 -36.1583 15.089087 15.336907 1 1033 1 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 0 -36.48501 18.220564 15.502094 1 1034 1 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 0 -37.7883 17.86269 14.871838 1 1035 1 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 0 -37.46675 17.598148 13.41761 1 1036 1 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 0 -34.250908 15.851277 16.22586 1 1037 1 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 0 -34.076744 14.783546 17.200197 1 1038 1 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 0 -34.322083 15.459682 18.54004 1 1039 1 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 0 -33.407814 15.986621 19.175581 1 1040 1 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 0 -32.665356 14.187669 17.117912 1 1041 1 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 0 -32.312393 13.534657 15.783543 1 1042 1 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 0 -30.830563 13.201321 15.71324 1 1043 1 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 0 -33.15435 12.297106 15.548508 1 1044 1 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 0 -35.594673 15.470161 18.937077 1 1045 1 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 0 -36.03327 16.262413 20.083286 1 1046 1 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 0 -35.58525 15.664758 21.416183 1 1047 1 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 0 -35.65501 14.456699 21.617847 1 1048 1 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 0 -37.549946 16.416676 20.063427 1 1049 1 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 0 -35.14787 16.530289 22.331348 1 1050 1 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 0 -34.78499 16.045925 23.661293 1 1051 1 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 0 -36.025665 15.626283 24.439257 1 1052 1 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 0 -37.103024 16.207108 24.285973 1 1053 1 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 0 -34.107327 17.261272 24.30867 1 1054 1 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 0 -34.733715 18.432076 23.621815 1 1055 1 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 0 -34.975697 17.982237 22.205357 1 1056 1 +ATOM N N . SER A0 1 136 . 136 SER A0 N 0 -35.886024 14.600545 25.245998 1 1057 1 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 0 -36.982838 14.086661 26.054897 1 1058 1 +ATOM C C . SER A0 1 136 . 136 SER A0 C 0 -36.403744 13.337282 27.24143 1 1059 1 +ATOM O O . SER A0 1 136 . 136 SER A0 O 0 -35.187416 13.324734 27.448778 1 1060 1 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 0 -37.881905 13.159969 25.235046 1 1061 1 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 0 -37.190506 11.949948 24.929127 1 1062 1 +ATOM N N . SER A0 1 137 . 137 SER A0 N 0 -37.27134 12.693808 27.99059 1 1063 1 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 0 -36.803207 11.894711 29.114113 1 1064 1 +ATOM C C . SER A0 1 137 . 137 SER A0 C 0 -35.981056 10.703829 28.643616 1 1065 1 +ATOM O O . SER A0 1 137 . 137 SER A0 O 0 -35.244907 10.110998 29.435047 1 1066 1 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 0 -37.995346 11.41394 29.955523 1 1067 1 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 0 -38.832035 10.547218 29.214579 1 1068 1 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 0 -36.110306 10.360832 27.351974 1 1069 1 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 0 -35.354553 9.253004 26.777077 1 1070 1 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 0 -33.998627 9.696872 26.246658 1 1071 1 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 0 -33.199783 8.855508 25.832348 1 1072 1 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 0 -36.161247 8.599218 25.64338 1 1073 1 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 0 -37.55018 8.1157 26.064337 1 1074 1 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 0 -37.46312 7.0371284 27.14432 1 1075 1 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 0 -38.852077 6.5359497 27.544695 1 1076 1 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 0 -38.771786 5.498877 28.602798 1 1077 1 +ATOM N N . SER A0 1 139 . 139 SER A0 N 0 -33.744926 11.001508 26.21447 1 1078 1 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 0 -32.46408 11.531994 25.760857 1 1079 1 +ATOM C C . SER A0 1 139 . 139 SER A0 C 0 -31.852396 12.443333 26.808561 1 1080 1 +ATOM O O . SER A0 1 139 . 139 SER A0 O 0 -31.191738 13.418696 26.486115 1 1081 1 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 0 -32.62592 12.2785425 24.439472 1 1082 1 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 0 -33.487164 13.397623 24.580881 1 1083 1 +ATOM N N . THR A0 1 140 . 140 THR A0 N 0 -32.09131 12.110982 28.077824 1 1084 1 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 0 -31.510502 12.838368 29.186962 1 1085 1 +ATOM C C . THR A0 1 140 . 140 THR A0 C 0 -30.795975 11.86532 30.110817 1 1086 1 +ATOM O O . THR A0 1 140 . 140 THR A0 O 0 -31.243744 10.732139 30.310379 1 1087 1 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 0 -32.57418 13.613653 29.98613 1 1088 1 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 0 -33.57253 12.709457 30.45478 1 1089 1 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 0 -33.23263 14.6877165 29.121037 1 1090 1 +ATOM N N . SER A0 1 141 . 141 SER A0 N 0 -29.688606 12.301409 30.652225 1 1091 1 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 0 -28.90432 11.499148 31.59313 1 1092 1 +ATOM C C . SER A0 1 141 . 141 SER A0 C 0 -28.37425 12.4319935 32.668217 1 1093 1 +ATOM O O . SER A0 1 141 . 141 SER A0 O 0 -27.482708 13.2435465 32.414185 1 1094 1 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 0 -27.770409 10.792438 30.88083 1 1095 1 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 0 -26.981037 10.040144 31.793276 1 1096 1 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 0 -28.9377 12.3043785 33.85872 1 1097 1 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 0 -28.559603 13.212717 34.923157 1 1098 1 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 0 -28.9627 14.632478 34.569546 1 1099 1 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 0 -30.121372 14.894222 34.265823 1 1100 1 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 0 -28.017076 15.5411415 34.570316 1 1101 1 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 0 -28.30357 16.92612 34.227814 1 1102 1 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 0 -27.973225 17.277458 32.790726 1 1103 1 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 0 -27.890089 18.458778 32.444717 1 1104 1 +ATOM N N . THR A0 1 144 . 144 THR A0 N 0 -27.796465 16.247297 31.946081 1 1105 1 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 0 -27.436464 16.45685 30.547085 1 1106 1 +ATOM C C . THR A0 1 144 . 144 THR A0 C 0 -28.525675 15.920434 29.623722 1 1107 1 +ATOM O O . THR A0 1 144 . 144 THR A0 O 0 -29.06823 14.841356 29.855747 1 1108 1 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 0 -26.100449 15.7812 30.219084 1 1109 1 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 0 -25.065933 16.344297 31.026161 1 1110 1 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 0 -25.737057 15.964943 28.749023 1 1111 1 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 0 -28.819263 16.675045 28.58189 1 1112 1 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 0 -29.794544 16.254927 27.582539 1 1113 1 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 0 -29.118671 16.203491 26.215351 1 1114 1 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 0 -28.24016 17.015377 25.917488 1 1115 1 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 0 -30.981401 17.213688 27.53743 1 1116 1 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 0 -29.525747 15.232575 25.397638 1 1117 1 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 0 -29.018648 15.131714 24.039059 1 1118 1 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 0 -30.127632 15.516836 23.065193 1 1119 1 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 0 -31.286983 15.145957 23.253006 1 1120 1 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 0 -28.522652 13.72097 23.746979 1 1121 1 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 0 -29.781166 16.24639 22.041084 1 1122 1 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 0 -30.714622 16.630745 21.002563 1 1123 1 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 0 -29.943897 16.719654 19.68488 1 1124 1 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 0 -28.709146 16.718765 19.67351 1 1125 1 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 0 -31.401756 17.970093 21.323296 1 1126 1 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 0 -30.502876 19.186989 21.533745 1 1127 1 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 0 -30.398045 20.004272 20.248558 1 1128 1 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 0 -31.019415 20.050398 22.672825 1 1129 1 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 0 -30.674343 16.794228 18.581688 1 1130 1 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 0 -29.973642 16.87394 17.315285 1 1131 1 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 0 -30.887903 17.099174 16.129837 1 1132 1 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 0 -32.067093 17.44528 16.278954 1 1133 1 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 0 -30.302935 16.923578 14.958873 1 1134 1 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 0 -31.022034 17.054638 13.699887 1 1135 1 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 0 -30.684528 15.872629 12.806051 1 1136 1 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 0 -29.51432 15.473978 12.7094 1 1137 1 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 0 -30.660675 18.357328 12.984283 1 1138 1 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 0 -31.404472 19.819515 13.68016 1 1139 1 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 0 -31.711021 15.307821 12.167319 1 1140 1 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 0 -31.52836 14.247953 11.186486 1 1141 1 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 0 -31.602104 14.898331 9.807017 1 1142 1 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 0 -32.63485 15.461087 9.431609 1 1143 1 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 0 -32.61799 13.18221 11.339747 1 1144 1 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 0 -32.622684 12.047869 10.318785 1 1145 1 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 0 -33.852974 11.158995 10.532096 1 1146 1 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 0 -31.34094 11.234928 10.393433 1 1147 1 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 0 -30.493027 14.838741 9.0776615 1 1148 1 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 0 -30.392385 15.447607 7.7547 1 1149 1 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 0 -30.51275 14.316532 6.740596 1 1150 1 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 0 -29.552578 13.583626 6.482932 1 1151 1 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 0 -29.060574 16.208923 7.5953703 1 1152 1 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 0 -29.016935 16.93618 6.262025 1 1153 1 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 0 -28.877577 17.193436 8.755651 1 1154 1 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 0 -31.70409 14.165995 6.178466 1 1155 1 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 0 -32.033615 12.955126 5.434306 1 1156 1 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 0 -32.315716 13.201719 3.952281 1 1157 1 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 0 -32.85656 14.248556 3.564089 1 1158 1 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 0 -33.24032 12.2649765 6.07488 1 1159 1 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 0 -33.450066 10.832197 5.6175194 1 1160 1 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 0 -34.53645 10.153131 6.4346685 1 1161 1 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 0 -34.666267 8.671224 6.0906196 1 1162 1 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 0 -35.06153 8.445862 4.686212 1 1163 1 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 0 -31.93151 12.2335 3.1550353 1 1164 1 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 0 -32.277527 12.114931 1.7380695 1 1165 1 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 0 -31.75164 13.279598 0.9020112 1 1166 1 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 0 -32.515778 14.038649 0.29957306 1 1167 1 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 0 -33.79127 11.976217 1.5722841 1 1168 1 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 0 -34.33098 10.692467 2.1651006 1 1169 1 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 0 -33.55156 9.723013 2.2999158 1 1170 1 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 0 -35.530563 10.638815 2.4915383 1 1171 1 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 0 -30.429207 13.384955 0.8125862 1 1172 1 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 0 -29.812622 14.395922 -0.0358583 1 1173 1 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 0 -28.786732 13.757368 -0.9640363 1 1174 1 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 0 -28.3367 12.631897 -0.7400054 1 1175 1 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 0 -29.162848 15.51416 0.7959758 1 1176 1 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 0 -27.986368 15.062313 1.6344266 1 1177 1 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 0 -28.16547 14.613677 2.9435802 1 1178 1 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 0 -26.692513 15.113736 1.1315904 1 1179 1 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 0 -27.086245 14.218008 3.7178538 1 1180 1 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 0 -25.610847 14.726391 1.9004526 1 1181 1 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 0 -25.81133 14.280033 3.1969619 1 1182 1 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 0 -24.745434 13.893217 3.9568758 1 1183 1 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 0 -28.446938 14.482906 -2.0088978 1 1184 1 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 0 -27.434982 14.030743 -2.9669676 1 1185 1 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 0 -26.948933 15.227762 -3.772119 1 1186 1 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 0 -27.754654 16.081081 -4.1525736 1 1187 1 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 0 -28.009743 12.972106 -3.9117281 1 1188 1 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 0 -26.980343 12.4305525 -4.863695 1 1189 1 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 0 -26.80576 13.002138 -6.1202726 1 1190 1 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 0 -26.161543 11.375841 -4.501562 1 1191 1 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 0 -25.840351 12.522691 -6.990924 1 1192 1 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 0 -25.19585 10.898682 -5.3665895 1 1193 1 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 0 -25.0327 11.464366 -6.614075 1 1194 1 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 0 -25.65475 15.297783 -4.047763 1 1195 1 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 0 -24.574062 14.46015 -3.5146923 1 1196 1 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 0 -24.021393 15.023727 -2.2126567 1 1197 1 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 0 -24.581703 15.981533 -1.6558192 1 1198 1 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 0 -23.526068 14.552879 -4.6314125 1 1199 1 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 0 -23.66211 15.963476 -5.0989227 1 1200 1 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 0 -25.12935 16.29661 -5.000223 1 1201 1 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 0 -22.966572 14.426327 -1.733269 1 1202 1 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 0 -22.226604 15.010783 -0.60914177 1 1203 1 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 0 -21.591938 16.31697 -1.0840058 1 1204 1 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 0 -21.359999 16.500835 -2.293651 1 1205 1 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 0 -21.14209 14.038294 -0.14367464 1 1206 1 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 0 -21.692284 12.793067 0.5268142 1 1207 1 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 0 -21.24868 12.669967 1.9622456 1 1208 1 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 0 -21.673582 13.504642 2.7816043 1 1209 1 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 0 -20.46206 11.746616 2.2747278 1 1210 1 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 0 -21.293076 17.240875 -0.19393483 1 1211 1 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 0 -21.459599 17.190086 1.2583948 1 1212 1 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 0 -22.54975 18.106117 1.7587084 1 1213 1 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 0 -23.10033 18.908907 1.0014066 1 1214 1 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 0 -20.0952 17.693329 1.7665772 1 1215 1 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 0 -19.756378 18.771072 0.78172415 1 1216 1 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 0 -20.339836 18.335197 -0.5498023 1 1217 1 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 0 -22.861992 17.95983 3.0309598 1 1218 1 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 0 -23.651402 18.946188 3.7617264 1 1219 1 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 0 -22.808445 19.430843 4.928463 1 1220 1 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 0 -21.915718 18.72387 5.405987 1 1221 1 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 0 -24.985432 18.380886 4.302781 1 1222 1 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 0 -25.916916 17.994228 3.174534 1 1223 1 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 0 -24.728142 17.217947 5.249234 1 1224 1 +ATOM N N . THR A0 1 160 . 160 THR A0 N 0 -23.067352 20.649155 5.3591557 1 1225 1 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 0 -22.418793 21.174015 6.550822 1 1226 1 +ATOM C C . THR A0 1 160 . 160 THR A0 C 0 -23.497921 21.483473 7.581 1 1227 1 +ATOM O O . THR A0 1 160 . 160 THR A0 O 0 -24.59946 21.923885 7.2267284 1 1228 1 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 0 -21.605934 22.44774 6.2576213 1 1229 1 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 0 -22.4607 23.449848 5.7045736 1 1230 1 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 0 -20.4763 22.145767 5.289599 1 1231 1 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 0 -23.191704 21.219292 8.839011 1 1232 1 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 0 -24.12941 21.471584 9.922926 1 1233 1 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 0 -23.42995 22.27693 11.012536 1 1234 1 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 0 -22.337582 21.921093 11.45144 1 1235 1 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 0 -24.680777 20.160604 10.526384 1 1236 1 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 0 -25.707157 20.470135 11.610276 1 1237 1 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 0 -25.292473 19.283508 9.445453 1 1238 1 +ATOM N N . SER A0 1 162 . 162 SER A0 N 0 -24.068895 23.349934 11.417566 1 1239 1 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 0 -23.612066 24.120304 12.566026 1 1240 1 +ATOM C C . SER A0 1 162 . 162 SER A0 C 0 -24.77103 24.265285 13.533947 1 1241 1 +ATOM O O . SER A0 1 162 . 162 SER A0 O 0 -25.922525 23.977734 13.187796 1 1242 1 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 0 -23.077787 25.497255 12.147867 1 1243 1 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 0 -24.114544 26.29128 11.5947075 1 1244 1 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 0 -24.471127 24.703102 14.735362 1 1245 1 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 0 -25.49931 24.89882 15.741371 1 1246 1 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 0 -25.477043 26.342854 16.23439 1 1247 1 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 0 -24.42081 26.88137 16.567574 1 1248 1 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 0 -25.315062 23.91172 16.899483 1 1249 1 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 0 -25.741632 22.528727 16.542065 1 1250 1 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 0 -24.977674 21.552916 15.974986 1 1251 1 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 0 -27.05021 21.97417 16.694118 1 1252 1 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 0 -25.731174 20.424236 15.76733 1 1253 1 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 0 -26.996912 20.65366 16.201563 1 1254 1 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 0 -28.264229 22.461231 17.20441 1 1255 1 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 0 -28.11318 19.819195 16.203514 1 1256 1 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 0 -29.36847 21.630512 17.208273 1 1257 1 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 0 -29.290524 20.324547 16.71281 1 1258 1 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 0 -26.66475 26.933159 16.26134 1 1259 1 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 0 -26.82698 28.32201 16.682493 1 1260 1 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 0 -25.842587 29.23565 15.950924 1 1261 1 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 0 -25.161434 30.069798 16.548225 1 1262 1 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 0 -26.674408 28.450485 18.19703 1 1263 1 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 0 -27.80402 27.781963 18.9458 1 1264 1 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 0 -28.783127 27.337742 18.343304 1 1265 1 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 0 -27.686878 27.681423 20.263174 1 1266 1 +ATOM N N . SER A0 1 165 . 165 SER A0 N 0 -25.780487 29.025917 14.604069 1 1267 1 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 0 -24.932617 29.827406 13.721202 1 1268 1 +ATOM C C . SER A0 1 165 . 165 SER A0 C 0 -23.47231 29.816124 14.154036 1 1269 1 +ATOM O O . SER A0 1 165 . 165 SER A0 O 0 -22.755217 30.798666 13.977474 1 1270 1 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 0 -25.45443 31.266365 13.634496 1 1271 1 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 0 -26.794365 31.29435 13.150095 1 1272 1 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 0 -23.036171 28.681686 14.703709 1 1273 1 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 0 -21.652807 28.51942 15.093204 1 1274 1 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 0 -21.352432 28.863266 16.531923 1 1275 1 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 0 -20.227322 28.653011 16.983452 1 1276 1 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 0 -22.326174 29.36044 17.246212 1 1277 1 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 0 -22.115015 29.737236 18.639515 1 1278 1 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 0 -22.021343 28.52206 19.55521 1 1279 1 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 0 -21.463318 28.613638 20.649864 1 1280 1 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 0 -23.22528 30.667622 19.109179 1 1281 1 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 0 -22.588345 27.402107 19.117298 1 1282 1 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 0 -22.56397 26.178627 19.912617 1 1283 1 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 0 -21.694935 25.14176 19.216413 1 1284 1 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 0 -22.034103 24.668299 18.12648 1 1285 1 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 0 -23.98664 25.638163 20.104317 1 1286 1 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 0 -24.130917 24.329975 20.874973 1 1287 1 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 0 -25.603119 23.941788 20.97842 1 1288 1 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 0 -23.49026 24.412573 22.248558 1 1289 1 +ATOM N N . THR A0 1 169 . 169 THR A0 N 0 -20.563656 24.815796 19.81626 1 1290 1 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 0 -19.646137 23.840101 19.246422 1 1291 1 +ATOM C C . THR A0 1 169 . 169 THR A0 C 0 -19.294617 22.73962 20.240614 1 1292 1 +ATOM O O . THR A0 1 169 . 169 THR A0 O 0 -19.013353 21.61333 19.826332 1 1293 1 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 0 -18.350243 24.509644 18.761223 1 1294 1 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 0 -17.73056 25.198185 19.848667 1 1295 1 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 0 -18.643166 25.502659 17.631695 1 1296 1 +ATOM N N . SER A0 1 170 . 170 SER A0 N 0 -19.30819 23.047504 21.504654 1 1297 1 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 0 -18.949007 22.074749 22.525974 1 1298 1 +ATOM C C . SER A0 1 170 . 170 SER A0 C 0 -20.005123 20.97484 22.615917 1 1299 1 +ATOM O O . SER A0 1 170 . 170 SER A0 O 0 -21.20185 21.257738 22.67545 1 1300 1 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 0 -18.796555 22.764618 23.880053 1 1301 1 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 0 -18.438423 21.835447 24.88718 1 1302 1 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 0 -19.559649 19.728043 22.597496 1 1303 1 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 0 -20.45222 18.596235 22.711975 1 1304 1 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 0 -21.14246 18.20587 21.422026 1 1305 1 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 0 -22.008863 17.333988 21.437397 1 1306 1 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 0 -20.772581 18.83469 20.310665 1 1307 1 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 0 -21.394848 18.545307 19.0217 1 1308 1 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 0 -20.714275 17.355549 18.35009 1 1309 1 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 0 -19.48242 17.264904 18.324211 1 1310 1 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 0 -21.343548 19.773478 18.087402 1 1311 1 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 0 -21.84013 19.40485 16.692205 1 1312 1 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 0 -22.1722 20.914715 18.667675 1 1313 1 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 0 -21.515251 16.450764 17.81102 1 1314 1 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 0 -21.018211 15.35524 16.987034 1 1315 1 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 0 -21.829216 15.314423 15.7026005 1 1316 1 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 0 -23.030434 15.0245 15.738074 1 1317 1 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 0 -21.137451 14.00399 17.711666 1 1318 1 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 0 -20.241533 13.856945 18.891771 1 1319 1 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 0 -18.867008 13.971646 18.803001 1 1320 1 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 0 -20.517008 13.595747 20.184593 1 1321 1 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 0 -18.34872 13.793227 19.996443 1 1322 1 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 0 -19.32341 13.564413 20.857737 1 1323 1 +ATOM N N . THR A0 1 174 . 174 THR A0 N 0 -21.187908 15.60664 14.591684 1 1324 1 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 0 -21.82931 15.470396 13.284676 1 1325 1 +ATOM C C . THR A0 1 174 . 174 THR A0 C 0 -21.25277 14.221163 12.630397 1 1326 1 +ATOM O O . THR A0 1 174 . 174 THR A0 O 0 -20.057861 14.15599 12.341468 1 1327 1 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 0 -21.597881 16.715786 12.415884 1 1328 1 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 0 -22.198627 17.85515 13.053282 1 1329 1 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 0 -22.224506 16.531906 11.03833 1 1330 1 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 0 -22.097107 13.233156 12.425957 1 1331 1 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 0 -21.647041 11.922382 11.975531 1 1332 1 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 0 -21.394503 11.886103 10.470211 1 1333 1 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 0 -22.012054 12.6366005 9.70831 1 1334 1 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 0 -22.678652 10.8556595 12.344614 1 1335 1 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 0 -22.778133 10.615538 13.818785 1 1336 1 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 0 -23.655647 11.354795 14.602266 1 1337 1 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 0 -21.978336 9.661206 14.424276 1 1338 1 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 0 -23.727135 11.151001 15.970951 1 1339 1 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 0 -22.044762 9.447981 15.793434 1 1340 1 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 0 -22.923992 10.194804 16.566765 1 1341 1 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 0 -20.460615 11.006641 10.042616 1 1342 1 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 0 -20.26207 10.808792 8.605294 1 1343 1 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 0 -21.55748 10.344253 7.9484344 1 1344 1 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 0 -22.335127 9.600067 8.553399 1 1345 1 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 0 -19.185345 9.72616 8.544473 1 1346 1 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 0 -18.467733 9.8289 9.860048 1 1347 1 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 0 -19.528284 10.216062 10.843222 1 1348 1 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 0 -21.78227 10.803191 6.736198 1 1349 1 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 0 -22.99383 10.435652 6.0161967 1 1350 1 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 0 -22.999126 8.950754 5.6811495 1 1351 1 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 0 -21.95203 8.330366 5.5163126 1 1352 1 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 0 -23.130657 11.264925 4.7430687 1 1353 1 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 0 -24.186897 8.396822 5.5814695 1 1354 1 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 0 -24.382875 7.0105085 5.1709023 1 1355 1 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 0 -25.169003 7.0060377 3.8630292 1 1356 1 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 0 -26.140339 7.74918 3.7197962 1 1357 1 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 0 -25.138247 6.2088137 6.2529116 1 1358 1 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 0 -24.263447 6.0515018 7.4944496 1 1359 1 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 0 -25.543203 4.839044 5.7176604 1 1360 1 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 0 -24.716589 6.1904826 2.9055097 1 1361 1 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 0 -25.43664 6.057213 1.6382848 1 1362 1 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 0 -26.555584 5.0337124 1.8148389 1 1363 1 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 0 -26.292206 3.8581195 2.086916 1 1364 1 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 0 -24.487846 5.62332 0.51683784 1 1365 1 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 0 -25.11274 5.483664 -0.8701508 1 1366 1 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 0 -24.089714 4.9378777 -1.8586746 1 1367 1 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 0 -25.656664 6.8324413 -1.3479811 1 1368 1 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 0 -27.777893 5.4732304 1.6507022 1 1369 1 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 0 -28.939072 4.6094227 1.8230345 1 1370 1 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 0 -29.204784 3.8207164 0.54340196 1 1371 1 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 0 -28.675472 4.1295633 -0.5281277 1 1372 1 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 0 -30.165997 5.4427576 2.1949892 1 1373 1 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 0 -29.984518 6.2626505 3.4519658 1 1374 1 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 0 -31.080406 7.2871733 3.6470332 1 1375 1 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 0 -31.96339 7.1053276 4.4828157 1 1376 1 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 0 -31.039322 8.35635 2.8651114 1 1377 1 +ATOM N N . SER A0 1 181 . 181 SER A0 N 0 -30.023094 2.7646253 0.66233206 1 1378 1 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 0 -30.341854 1.925076 -0.4883883 1 1379 1 +ATOM C C . SER A0 1 181 . 181 SER A0 C 0 -31.041847 2.709722 -1.5906732 1 1380 1 +ATOM O O . SER A0 1 181 . 181 SER A0 O 0 -31.027004 2.2903917 -2.752604 1 1381 1 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 0 -31.213177 0.7408972 -0.04996334 1 1382 1 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 0 -32.420708 1.1900716 0.5173679 1 1383 1 +ATOM N N . SER A0 1 182 . 182 SER A0 N 0 -31.63385 3.8338962 -1.2361245 1 1384 1 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 0 -32.291245 4.6988497 -2.2047532 1 1385 1 +ATOM C C . SER A0 1 182 . 182 SER A0 C 0 -31.302805 5.449485 -3.0868714 1 1386 1 +ATOM O O . SER A0 1 182 . 182 SER A0 O 0 -31.692219 6.0096116 -4.1191196 1 1387 1 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 0 -33.18419 5.710104 -1.4831958 1 1388 1 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 0 -32.404613 6.560482 -0.6636654 1 1389 1 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 0 -30.033813 5.451314 -2.6968243 1 1390 1 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 0 -29.023815 6.212021 -3.4096937 1 1391 1 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 0 -28.833801 7.607312 -2.8666973 1 1392 1 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 0 -27.999989 8.365173 -3.3795211 1 1393 1 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 0 -29.598042 7.9443574 -1.8365748 1 1394 1 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 0 -29.492722 9.245631 -1.1954286 1 1395 1 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 0 -28.733118 9.115543 0.12108025 1 1396 1 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 0 -28.706236 8.049593 0.7347884 1 1397 1 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 0 -30.88301 9.8321295 -0.9441645 1 1398 1 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 0 -31.790321 9.986029 -2.1711626 1 1399 1 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 0 -33.196163 10.389537 -1.7519352 1 1400 1 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 0 -31.197245 11.003607 -3.1400154 1 1401 1 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 0 -28.121037 10.2119 0.5485333 1 1402 1 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 0 -27.349966 10.214703 1.7790349 1 1403 1 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 0 -28.182945 10.673578 2.9649987 1 1404 1 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 0 -29.189516 11.365473 2.807039 1 1405 1 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 0 -26.122719 11.126781 1.6436338 1 1406 1 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 0 -25.088219 10.622427 0.67298734 1 1407 1 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 0 -25.064434 11.068983 -0.6416837 1 1408 1 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 0 -24.122156 9.717398 1.0766541 1 1409 1 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 0 -24.111778 10.616551 -1.53445 1 1410 1 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 0 -23.161758 9.256806 0.19047718 1 1411 1 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 0 -23.162237 9.71135 -1.1101198 1 1412 1 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 0 -22.216259 9.264176 -1.9900885 1 1413 1 +ATOM N N . SER A0 1 186 . 186 SER A0 N 0 -27.739437 10.288478 4.133666 1 1414 1 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 0 -28.376453 10.695862 5.3794703 1 1415 1 +ATOM C C . SER A0 1 186 . 186 SER A0 C 0 -27.307886 10.811338 6.4577074 1 1416 1 +ATOM O O . SER A0 1 186 . 186 SER A0 O 0 -26.385372 10.00252 6.511632 1 1417 1 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 0 -29.449738 9.690552 5.797633 1 1418 1 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 0 -30.073612 10.067193 7.021759 1 1419 1 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 0 -27.445724 11.801603 7.315343 1 1420 1 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 0 -26.557121 11.921956 8.462467 1 1421 1 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 0 -27.299885 12.561213 9.62203 1 1422 1 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 0 -28.371683 13.139685 9.4429 1 1423 1 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 0 -25.287582 12.708834 8.129005 1 1424 1 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 0 -25.332033 14.209744 7.850031 1 1425 1 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 0 -24.032825 14.646671 7.1693335 1 1426 1 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 0 -25.546926 15.053761 9.11743 1 1427 1 +ATOM N N . SER A0 1 188 . 188 SER A0 N 0 -26.713078 12.437414 10.806159 1 1428 1 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 0 -27.277134 13.079266 11.980905 1 1429 1 +ATOM C C . SER A0 1 188 . 188 SER A0 C 0 -26.219505 13.945037 12.640959 1 1430 1 +ATOM O O . SER A0 1 188 . 188 SER A0 O 0 -25.02027 13.673028 12.535863 1 1431 1 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 0 -27.809746 12.045119 12.983549 1 1432 1 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 0 -26.766716 11.181386 13.4080305 1 1433 1 +ATOM N N . SER A0 1 189 . 189 SER A0 N 0 -26.675789 15.005668 13.268057 1 1434 1 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 0 -25.807045 15.870624 14.064177 1 1435 1 +ATOM C C . SER A0 1 189 . 189 SER A0 C 0 -26.449787 15.996756 15.436432 1 1436 1 +ATOM O O . SER A0 1 189 . 189 SER A0 O 0 -27.634699 16.34134 15.536819 1 1437 1 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 0 -25.646202 17.245434 13.416988 1 1438 1 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 0 -24.803963 18.09025 14.201916 1 1439 1 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 0 -25.673893 15.68745 16.461632 1 1440 1 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 0 -26.211903 15.738713 17.822277 1 1441 1 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 0 -25.358494 16.643675 18.694489 1 1442 1 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 0 -24.210657 16.94982 18.36728 1 1443 1 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 0 -26.299305 14.336985 18.466593 1 1444 1 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 0 -27.211533 13.429569 17.651312 1 1445 1 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 0 -24.911737 13.730852 18.60566 1 1446 1 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 0 -25.955547 17.07842 19.804123 1 1447 1 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 0 -25.225542 17.902046 20.766058 1 1448 1 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 0 -25.797867 17.630785 22.149187 1 1449 1 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 0 -27.00563 17.398075 22.295956 1 1450 1 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 0 -25.316307 19.413145 20.416018 1 1451 1 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 0 -24.482044 20.241512 21.38839 1 1452 1 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 0 -26.758959 19.885159 20.392447 1 1453 1 +ATOM N N . THR A0 1 192 . 192 THR A0 N 0 -24.92519 17.615322 23.15556 1 1454 1 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 0 -25.37695 17.473034 24.535202 1 1455 1 +ATOM C C . THR A0 1 192 . 192 THR A0 C 0 -25.361551 18.848831 25.193775 1 1456 1 +ATOM O O . THR A0 1 192 . 192 THR A0 O 0 -24.409687 19.627153 25.027298 1 1457 1 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 0 -24.496405 16.490875 25.33265 1 1458 1 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 0 -23.126392 16.849726 25.177887 1 1459 1 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 0 -24.707817 15.064272 24.843231 1 1460 1 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 0 -26.425003 19.148563 25.946468 1 1461 1 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 0 -26.601074 20.444433 26.592525 1 1462 1 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 0 -27.140461 20.233128 28.003098 1 1463 1 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 0 -27.613338 19.146822 28.340618 1 1464 1 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 0 -27.572914 21.354294 25.79842 1 1465 1 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 0 -27.051992 21.594133 24.38126 1 1466 1 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 0 -28.956657 20.722307 25.762274 1 1467 1 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 0 -27.057316 21.261986 28.854542 1 1468 1 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 0 -27.644356 21.132338 30.187168 1 1469 1 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 0 -29.158562 20.946259 30.097595 1 1470 1 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 0 -29.831139 21.649952 29.343983 1 1471 1 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 0 -27.279572 22.459396 30.872656 1 1472 1 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 0 -26.098125 22.971853 30.120258 1 1473 1 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 0 -26.3236 22.53429 28.703972 1 1474 1 +ATOM N N . SER A0 1 195 . 195 SER A0 N 0 -29.676262 19.981733 30.862968 1 1475 1 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 0 -31.119646 19.74574 30.859474 1 1476 1 +ATOM C C . SER A0 1 195 . 195 SER A0 C 0 -31.88383 20.979973 31.32129 1 1477 1 +ATOM O O . SER A0 1 195 . 195 SER A0 O 0 -33.015774 21.216957 30.885012 1 1478 1 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 0 -31.464594 18.5629 31.763739 1 1479 1 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 0 -30.88302 17.370575 31.288078 1 1480 1 +ATOM N N . SER A0 1 196 . 196 SER A0 N 0 -31.277094 21.776148 32.183838 1 1481 1 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 0 -31.92353 22.97491 32.706795 1 1482 1 +ATOM C C . SER A0 1 196 . 196 SER A0 C 0 -32.138763 24.039742 31.641495 1 1483 1 +ATOM O O . SER A0 1 196 . 196 SER A0 O 0 -32.938225 24.958317 31.835873 1 1484 1 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 0 -31.098988 23.554455 33.85993 1 1485 1 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 0 -29.803116 23.923466 33.421932 1 1486 1 +ATOM N N . SER A0 1 197 . 197 SER A0 N 0 -31.42655 23.91901 30.516624 1 1487 1 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 0 -31.554394 24.909271 29.448923 1 1488 1 +ATOM C C . SER A0 1 197 . 197 SER A0 C 0 -32.728184 24.620724 28.527027 1 1489 1 +ATOM O O . SER A0 1 197 . 197 SER A0 O 0 -33.1194 25.49266 27.74437 1 1490 1 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 0 -30.264816 24.980621 28.640118 1 1491 1 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 0 -30.091541 23.806667 27.86447 1 1492 1 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 0 -33.28923 23.408852 28.611233 1 1493 1 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 0 -34.40337 23.05175 27.746422 1 1494 1 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 0 -35.622337 23.926239 28.065552 1 1495 1 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 0 -36.02546 24.053545 29.219532 1 1496 1 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 0 -34.766113 21.572136 27.91383 1 1497 1 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 0 -33.674404 20.565979 27.538696 1 1498 1 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 0 -34.16204 19.152199 27.785034 1 1499 1 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 0 -33.21731 20.752014 26.110062 1 1500 1 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 0 -36.20343 24.516644 27.063452 1 1501 1 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 0 -37.356544 25.385965 27.223652 1 1502 1 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 0 -37.008446 26.848377 27.360971 1 1503 1 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 0 -37.863564 27.711727 27.101723 1 1504 1 +ATOM N N . THR A0 1 200 . 200 THR A0 N 0 -35.770462 27.148561 27.75282 1 1505 1 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 0 -35.346603 28.534637 27.891975 1 1506 1 +ATOM C C . THR A0 1 200 . 200 THR A0 C 0 -34.318367 28.929943 26.841797 1 1507 1 +ATOM O O . THR A0 1 200 . 200 THR A0 O 0 -34.311394 30.075283 26.387358 1 1508 1 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 0 -34.769684 28.801868 29.293274 1 1509 1 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 0 -33.684875 27.913961 29.536125 1 1510 1 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 0 -35.8396 28.585379 30.36365 1 1511 1 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 0 -33.46855 28.002142 26.4719 1 1512 1 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 0 -32.456787 28.256966 25.44532 1 1513 1 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 0 -32.932068 27.713379 24.106543 1 1514 1 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 0 -33.456 26.598797 24.038548 1 1515 1 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 0 -31.123772 27.61046 25.833628 1 1516 1 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 0 -30.021238 27.754494 24.780447 1 1517 1 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 0 -29.605576 29.187393 24.567345 1 1518 1 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 0 -29.93404 29.806694 23.568813 1 1519 1 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 0 -28.893305 29.735355 25.559345 1 1520 1 +ATOM N N . THR A0 1 202 . 202 THR A0 N 0 -32.738983 28.48391 23.055458 1 1521 1 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 0 -33.13125 28.058365 21.715958 1 1522 1 +ATOM C C . THR A0 1 202 . 202 THR A0 C 0 -31.987038 27.313175 21.048767 1 1523 1 +ATOM O O . THR A0 1 202 . 202 THR A0 O 0 -30.847767 27.78521 21.042952 1 1524 1 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 0 -33.53074 29.26982 20.858952 1 1525 1 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 0 -34.651985 29.924728 21.456516 1 1526 1 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 0 -33.893066 28.83966 19.445581 1 1527 1 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 0 -32.28094 26.14114 20.482883 1 1528 1 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 0 -31.296177 25.346392 19.771152 1 1529 1 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 0 -31.723242 25.186893 18.320045 1 1530 1 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 0 -32.78772 24.640814 18.037354 1 1531 1 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 0 -31.100239 23.984032 20.44241 1 1532 1 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 0 -30.515553 24.102997 21.831612 1 1533 1 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 0 -31.293728 23.889587 22.962212 1 1534 1 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 0 -29.178772 24.442581 22.001705 1 1535 1 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 0 -30.75433 24.016659 24.229013 1 1536 1 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 0 -28.63657 24.572977 23.270638 1 1537 1 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 0 -29.425121 24.351604 24.38274 1 1538 1 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 0 -28.894428 24.482578 25.630003 1 1539 1 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 0 -30.88337 25.672102 17.4049 1 1540 1 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 0 -31.167587 25.633509 15.97702 1 1541 1 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 0 -29.995247 25.002945 15.233547 1 1542 1 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 0 -28.849997 25.428228 15.409386 1 1543 1 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 0 -31.42884 27.051193 15.423165 1 1544 1 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 0 -32.631027 27.697498 16.117043 1 1545 1 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 0 -31.650312 26.99966 13.907454 1 1546 1 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 0 -32.841568 29.165546 15.761173 1 1547 1 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 0 -30.292698 23.953339 14.422454 1 1548 1 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 0 -29.245647 23.397892 13.570853 1 1549 1 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 0 -29.323406 24.096724 12.2235365 1 1550 1 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 0 -30.405312 24.27172 11.6538925 1 1551 1 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 0 -29.3704 21.887238 13.426895 1 1552 1 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 0 -30.798744 21.308077 12.526633 1 1553 1 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 0 -28.156311 24.532257 11.728207 1 1554 1 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 0 -28.05996 25.23279 10.455057 1 1555 1 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 0 -27.457344 24.276873 9.428018 1 1556 1 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 0 -26.272697 23.925392 9.520361 1 1557 1 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 0 -27.18768 26.492981 10.588708 1 1558 1 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 0 -27.43095 27.22478 11.886015 1 1559 1 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 0 -26.580017 27.181461 12.7943535 1 1560 1 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 0 -28.564056 27.88161 12.011215 1 1561 1 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 0 -28.28349 23.858528 8.482315 1 1562 1 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 0 -27.87219 22.871714 7.4913454 1 1563 1 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 0 -27.689379 23.555464 6.1385283 1 1564 1 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 0 -28.579937 24.2767 5.67428 1 1565 1 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 0 -28.906288 21.732262 7.3793325 1 1566 1 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 0 -28.476767 20.728565 6.3170485 1 1567 1 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 0 -29.081665 21.046803 8.729187 1 1568 1 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 0 -26.541126 23.297718 5.507519 1 1569 1 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 0 -26.239132 23.88369 4.2068906 1 1570 1 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 0 -25.839195 22.776733 3.233019 1 1571 1 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 0 -24.903893 22.019423 3.498579 1 1572 1 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 0 -25.114183 24.918148 4.3331213 1 1573 1 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 0 -24.958405 25.759598 3.0842786 1 1574 1 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 0 -25.745075 25.658722 2.143679 1 1575 1 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 0 -23.950785 26.612608 3.0693133 1 1576 1 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 0 -26.5553 22.696245 2.1274693 1 1577 1 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 0 -26.252794 21.740171 1.0573851 1 1578 1 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 0 -26.008635 22.541039 -0.22093919 1 1579 1 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 0 -26.9574 22.90207 -0.93678534 1 1580 1 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 0 -27.39775 20.745607 0.86440974 1 1581 1 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 0 -27.104305 19.68566 -0.14906085 1 1582 1 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 0 -27.908726 19.464586 -1.2476412 1 1583 1 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 0 -26.110668 18.77642 -0.22546515 1 1584 1 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 0 -27.405857 18.464302 -1.9518245 1 1585 1 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 0 -26.312511 18.026802 -1.3568246 1 1586 1 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 0 -24.755589 22.84121 -0.46026355 1 1587 1 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 0 -24.359787 23.69457 -1.5748855 1 1588 1 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 0 -24.808464 23.157188 -2.9336457 1 1589 1 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 0 -25.263094 23.946804 -3.7747896 1 1590 1 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 0 -22.84132 23.906746 -1.5746552 1 1591 1 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 0 -22.3268 24.714554 -0.3954624 1 1592 1 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 0 -22.713509 26.187141 -0.51398265 1 1593 1 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 0 -22.066475 26.999058 0.5987138 1 1594 1 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 0 -22.450499 28.422089 0.52369446 1 1595 1 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 0 -24.673553 21.824621 -3.2143347 1 1596 1 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 0 -25.051163 21.331625 -4.54377 1 1597 1 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 0 -26.492987 21.640146 -4.9375124 1 1598 1 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 0 -26.779331 21.776695 -6.132631 1 1599 1 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 0 -24.81625 19.82519 -4.432905 1 1600 1 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 0 -23.732132 19.69933 -3.4130785 1 1601 1 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 0 -24.039722 20.775265 -2.401847 1 1602 1 +ATOM N N . SER A0 1 212 . 212 SER A0 N 0 -27.405802 21.746695 -3.9774754 1 1603 1 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 0 -28.7953 22.057148 -4.2703695 1 1604 1 +ATOM C C . SER A0 1 212 . 212 SER A0 C 0 -29.185686 23.46593 -3.8452334 1 1605 1 +ATOM O O . SER A0 1 212 . 212 SER A0 O 0 -30.356993 23.838003 -3.9434648 1 1606 1 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 0 -29.729946 21.047415 -3.5823884 1 1607 1 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 0 -29.675587 21.180592 -2.1736548 1 1608 1 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 0 -28.210438 24.230795 -3.397564 1 1609 1 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 0 -28.45293 25.580624 -2.896595 1 1610 1 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 0 -29.541445 25.591976 -1.8305587 1 1611 1 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 0 -30.42533 26.457445 -1.8251864 1 1612 1 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 0 -28.82638 26.526098 -4.0469246 1 1613 1 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 0 -27.704786 26.699371 -5.035789 1 1614 1 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 0 -26.558065 26.926872 -4.647006 1 1615 1 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 0 -28.025879 26.589207 -6.3214493 1 1616 1 +ATOM N N . THR A0 1 214 . 214 THR A0 N 0 -29.475384 24.608595 -0.93208545 1 1617 1 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 0 -30.464386 24.468773 0.13047482 1 1618 1 +ATOM C C . THR A0 1 214 . 214 THR A0 C 0 -29.866383 24.865547 1.473201 1 1619 1 +ATOM O O . THR A0 1 214 . 214 THR A0 O 0 -28.821507 24.350712 1.8689439 1 1620 1 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 0 -30.989464 23.02566 0.21701512 1 1621 1 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 0 -31.562908 22.647343 -1.0317947 1 1622 1 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 0 -32.02343 22.88384 1.3194497 1 1623 1 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 0 -30.543411 25.776714 2.130936 1 1624 1 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 0 -30.192627 26.165194 3.489965 1 1625 1 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 0 -31.417677 25.987123 4.367553 1 1626 1 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 0 -32.49958 26.47593 4.027401 1 1627 1 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 0 -29.708727 27.615448 3.5601962 1 1628 1 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 0 -28.306303 27.828205 3.0329223 1 1629 1 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 0 -27.829649 29.248495 3.3454664 1 1630 1 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 0 -26.396008 29.454746 2.8887017 1 1631 1 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 0 -25.910133 30.810377 3.2511506 1 1632 1 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 0 -31.242226 25.282467 5.471978 1 1633 1 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 0 -32.348137 25.033634 6.391261 1 1634 1 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 0 -31.902647 25.34135 7.8113933 1 1635 1 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 0 -30.838701 24.887928 8.2451935 1 1636 1 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 0 -32.84365 23.572393 6.3122826 1 1637 1 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 0 -33.944305 23.320084 7.3460264 1 1638 1 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 0 -33.32549 23.239944 4.9124546 1 1639 1 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 0 -32.689568 26.114716 8.502341 1 1640 1 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 0 -32.49576 26.357721 9.921921 1 1641 1 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 0 -33.643867 25.68534 10.655958 1 1642 1 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 0 -34.80234 26.062044 10.468574 1 1643 1 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 0 -32.47071 27.865217 10.239222 1 1644 1 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 0 -31.28212 28.562626 9.609785 1 1645 1 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 0 -31.446493 29.7156 9.143229 1 1646 1 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 0 -30.185314 27.969316 9.583024 1 1647 1 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 0 -33.319057 24.685701 11.444929 1 1648 1 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 0 -34.341164 23.90794 12.127176 1 1649 1 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 0 -34.233746 24.051228 13.6257 1 1650 1 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 0 -33.220695 23.703587 14.2250595 1 1651 1 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 0 -34.231052 22.433271 11.750811 1 1652 1 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 0 -35.441242 21.60397 12.195717 1 1653 1 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 0 -36.65348 21.951958 11.35183 1 1654 1 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 0 -37.859386 21.090614 11.6978035 1 1655 1 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 0 -38.974403 21.381428 10.769604 1 1656 1 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 0 -35.307396 24.57191 14.21648 1 1657 1 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 0 -35.339203 24.70308 15.665198 1 1658 1 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 0 -35.697716 23.359673 16.280209 1 1659 1 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 0 -36.636307 22.698708 15.831242 1 1660 1 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 0 -36.359753 25.764256 16.10328 1 1661 1 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 0 -36.400642 25.968266 17.614788 1 1662 1 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 0 -37.30006 27.135832 17.984562 1 1663 1 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 0 -37.337265 27.325943 19.437777 1 1664 1 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 0 -37.9597 28.315157 20.038914 1 1665 1 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 0 -38.622917 29.210072 19.328224 1 1666 1 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 0 -37.93885 28.42214 21.357548 1 1667 1 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 0 -34.928963 22.953602 17.28358 1 1668 1 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 0 -35.17766 21.687576 17.957047 1 1669 1 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 0 -35.761078 21.969324 19.333757 1 1670 1 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 0 -35.086708 22.536993 20.191483 1 1671 1 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 0 -33.871124 20.868872 18.072021 1 1672 1 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 0 -33.213898 20.669758 16.686642 1 1673 1 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 0 -34.169212 19.475763 18.616486 1 1674 1 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 0 -37.016575 21.558903 19.51739 1 1675 1 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 0 -37.73504 21.829948 20.749739 1 1676 1 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 0 -38.021683 20.535603 21.503796 1 1677 1 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 0 -38.16668 19.470312 20.897049 1 1678 1 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 0 -39.05366 22.552074 20.45542 1 1679 1 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 0 -38.87555 23.90106 19.782913 1 1680 1 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 0 -40.182335 24.578064 19.45491 1 1681 1 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 0 -40.47934 25.630375 20.048803 1 1682 1 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 0 -40.920418 24.049393 18.602844 1 1683 1 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 0 -38.112007 20.61954 22.850082 1 1684 1 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 0 -38.383965 19.420261 23.649216 1 1685 1 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 0 -39.776283 18.853119 23.37917 1 1686 1 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 0 -40.692093 19.580858 22.981476 1 1687 1 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 0 -38.261223 19.923405 25.100145 1 1688 1 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 0 -37.508102 21.20764 25.009289 1 1689 1 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 0 -37.883835 21.797657 23.68442 1 1690 1 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 0 -39.928566 17.578506 23.599447 1 1691 1 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 0 -41.222263 16.94074 23.484062 1 1692 1 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 0 -41.52905 16.178772 24.766037 1 1693 1 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 0 -40.626213 15.91824 25.554298 1 1694 1 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 0 -41.27375 15.975705 22.29086 1 1695 1 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 0 -40.319798 14.79257 22.408123 1 1696 1 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 0 -40.64695 13.68331 21.396826 1 1697 1 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 0 -40.554413 14.252388 19.982021 1 1698 1 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 0 -40.810387 13.211368 18.976114 1 1699 1 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 0 -42.643143 15.7461605 25.000301 1 1700 1 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 0 1.0271671 -10.98304 -3.062263 1 1701 1 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 0 0.046505738 -10.369457 -2.1710467 1 1702 1 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 0 0.68782926 -10.039773 -0.834136 1 1703 1 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 0 1.5962905 -10.745873 -0.37590063 1 1704 1 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 0 -1.1536018 -11.297035 -1.9941096 1 1705 1 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 0 -2.3086758 -10.667971 -1.2654896 1 1706 1 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 0 -3.6246152 -11.342777 -1.6105993 1 1707 1 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 0 -3.657667 -12.512484 -1.9674292 1 1708 1 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 0 -4.725088 -10.597116 -1.4912056 1 1709 1 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 0 0.2231297 -8.969299 -0.19583753 1 1710 1 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 0 0.760504 -8.530647 1.0803537 1 1711 1 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 0 -0.28486788 -8.660934 2.1787305 1 1712 1 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 0 -1.4277233 -8.253622 2.000342 1 1713 1 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 0 1.228338 -7.0753407 1.0033228 1 1714 1 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 0 2.389086 -6.747071 0.07763609 1 1715 1 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 0 2.6541967 -5.2459116 0.09009902 1 1716 1 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 0 3.636301 -7.510359 0.46288395 1 1717 1 +ATOM N N . THR B0 2 3 . 3 THR B0 N 0 0.13128382 -9.206426 3.311138 1 1718 1 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 0 -0.7296599 -9.319156 4.481024 1 1719 1 +ATOM C C . THR B0 2 3 . 3 THR B0 C 0 -0.14948446 -8.432348 5.575591 1 1720 1 +ATOM O O . THR B0 2 3 . 3 THR B0 O 0 0.9528934 -8.685616 6.0685863 1 1721 1 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 0 -0.8322787 -10.767517 4.9730086 1 1722 1 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 0 -1.3626719 -11.59178 3.9279656 1 1723 1 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 0 -1.7201985 -10.864574 6.2012477 1 1724 1 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 0 -0.8818502 -7.394484 5.937879 1 1725 1 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 0 -0.43596023 -6.429206 6.926221 1 1726 1 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 0 -1.1402646 -6.6840334 8.252876 1 1727 1 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 0 -2.3381176 -6.9705215 8.277763 1 1728 1 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 0 -0.72174346 -5.0108266 6.4241858 1 1729 1 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 0 0.008703509 -3.9244204 7.185103 1 1730 1 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 0 -0.10700294 -2.5751793 6.4995394 1 1731 1 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 0 -0.25214982 -2.4984617 5.282958 1 1732 1 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 0 -0.04625845 -1.4991231 7.281349 1 1733 1 +ATOM N N . SER B0 2 5 . 5 SER B0 N 0 -0.38486862 -6.6128664 9.337576 1 1734 1 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 0 -0.97410536 -6.8744698 10.655035 1 1735 1 +ATOM C C . SER B0 2 5 . 5 SER B0 C 0 -0.34425443 -5.9812746 11.710091 1 1736 1 +ATOM O O . SER B0 2 5 . 5 SER B0 O 0 0.8347454 -5.6213837 11.607088 1 1737 1 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 0 -0.7882527 -8.350796 11.028119 1 1738 1 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 0 0.5750392 -8.673881 11.1378975 1 1739 1 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 0 -1.1227951 -5.6140823 12.719196 1 1740 1 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 0 -2.573104 -5.8349595 12.803284 1 1741 1 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 0 -3.3328443 -4.843093 11.943752 1 1742 1 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 0 -2.750987 -3.8833196 11.431695 1 1743 1 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 0 -2.853059 -5.6107316 14.297731 1 1744 1 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 0 -1.8671738 -4.5588665 14.682913 1 1745 1 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 0 -0.6156587 -4.871286 13.898172 1 1746 1 +ATOM N N . SER B0 2 7 . 7 SER B0 N 0 -4.627078 -5.098312 11.759731 1 1747 1 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 0 -5.4441366 -4.1680126 10.990963 1 1748 1 +ATOM C C . SER B0 2 7 . 7 SER B0 C 0 -5.625735 -2.8513536 11.737413 1 1749 1 +ATOM O O . SER B0 2 7 . 7 SER B0 O 0 -5.78168 -1.7943438 11.113158 1 1750 1 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 0 -6.806101 -4.789991 10.675548 1 1751 1 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 0 -7.520046 -5.1001806 11.845903 1 1752 1 +ATOM N N . SER B0 2 8 . 8 SER B0 N 0 -5.5854554 -2.9158998 13.04671 1 1753 1 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 0 -5.653845 -1.7230898 13.880119 1 1754 1 +ATOM C C . SER B0 2 8 . 8 SER B0 C 0 -4.985012 -2.0035717 15.211407 1 1755 1 +ATOM O O . SER B0 2 8 . 8 SER B0 O 0 -4.8799114 -3.151952 15.640598 1 1756 1 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 0 -7.1023154 -1.2689967 14.101118 1 1757 1 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 0 -7.830289 -2.208068 14.862154 1 1758 1 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 0 -4.5190916 -0.95787525 15.8498955 1 1759 1 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 0 -3.9101562 -1.0815475 17.164764 1 1760 1 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 0 -4.078127 0.22678491 17.9128 1 1761 1 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 0 -4.228499 1.2863207 17.316093 1 1762 1 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 0 -2.4278898 -1.4707303 17.059807 1 1763 1 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 0 -1.469268 -0.48427838 16.402952 1 1764 1 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 0 -0.3249945 -1.2264493 15.713133 1 1765 1 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 0 -0.90778226 0.51388353 17.425217 1 1766 1 +ATOM N N . SER B0 2 10 . 10 SER B0 N 0 -4.0659556 0.14534903 19.236652 1 1767 1 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 0 -4.1339297 1.3163683 20.099232 1 1768 1 +ATOM C C . SER B0 2 10 . 10 SER B0 C 0 -2.8198905 1.4507776 20.85137 1 1769 1 +ATOM O O . SER B0 2 10 . 10 SER B0 O 0 -2.2736702 0.46809176 21.346815 1 1770 1 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 0 -5.296426 1.2036409 21.084583 1 1771 1 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 0 -6.5420637 1.1549507 20.415848 1 1772 1 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 0 -2.31491 2.6591754 20.899464 1 1773 1 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 0 -1.0489378 2.9113379 21.576569 1 1774 1 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 0 -1.0614107 4.3053007 22.186407 1 1775 1 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 0 -1.8797014 5.147992 21.828331 1 1776 1 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 0 0.11607315 2.771284 20.604813 1 1777 1 +ATOM N N . SER B0 2 12 . 12 SER B0 N 0 -0.13433155 4.5314465 23.112083 1 1778 1 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 0 -0.0057811216 5.820945 23.773067 1 1779 1 +ATOM C C . SER B0 2 12 . 12 SER B0 C 0 1.2008483 6.572483 23.229305 1 1780 1 +ATOM O O . SER B0 2 12 . 12 SER B0 O 0 2.1368785 5.969445 22.700855 1 1781 1 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 0 0.12857717 5.6390667 25.285576 1 1782 1 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 0 -0.983446 4.9443445 25.835903 1 1783 1 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 0 1.1572399 7.886134 23.375004 1 1784 1 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 0 2.298625 8.705313 22.982895 1 1785 1 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 0 3.523086 8.2337475 23.75559 1 1786 1 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 0 3.4593382 8.010021 24.966152 1 1787 1 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 0 2.0305488 10.201227 23.253273 1 1788 1 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 0 3.298507 11.021858 23.065195 1 1789 1 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 0 0.90515196 10.705471 22.362114 1 1790 1 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 0 4.6361356 8.054079 23.04853 1 1791 1 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 0 5.8582234 7.560524 23.658278 1 1792 1 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 0 6.0658245 6.0695124 23.502958 1 1793 1 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 0 7.173456 5.572383 23.726105 1 1794 1 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 0 5.0115213 5.3311005 23.113165 1 1795 1 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 0 5.1118083 3.8821964 22.931034 1 1796 1 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 0 5.9446487 3.5392394 21.699352 1 1797 1 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 0 6.064228 4.329545 20.757538 1 1798 1 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 0 3.7244678 3.2585945 22.771975 1 1799 1 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 0 2.9740434 3.1056426 24.080425 1 1800 1 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 0 3.5390377 3.4462323 25.13954 1 1801 1 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 0 1.8177545 2.6453483 24.034496 1 1802 1 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 0 6.49656 2.3413062 21.711868 1 1803 1 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 0 7.1643286 1.7792957 20.548857 1 1804 1 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 0 6.1279488 0.9645667 19.790443 1 1805 1 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 0 5.5435224 0.031002868 20.341156 1 1806 1 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 0 8.3362875 0.902908 20.967495 1 1807 1 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 0 9.124258 0.31993163 19.812443 1 1808 1 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 0 10.285286 -0.5292382 20.324493 1 1809 1 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 0 11.174374 -0.9751682 19.25673 1 1810 1 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 0 12.225889 -0.28020185 18.826975 1 1811 1 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 0 12.507761 0.9079604 19.354511 1 1812 1 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 0 12.968506 -0.7586873 17.849995 1 1813 1 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 0 5.9097943 1.3263676 18.527298 1 1814 1 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 0 4.88476 0.6777431 17.71613 1 1815 1 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 0 5.542779 -0.11216684 16.591154 1 1816 1 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 0 6.4383283 0.39250854 15.910898 1 1817 1 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 0 3.9024656 1.7139516 17.134384 1 1818 1 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 0 2.9619498 1.0681888 16.133911 1 1819 1 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 0 3.1178834 2.3773146 18.256325 1 1820 1 +ATOM N N . THR B0 2 18 . 18 THR B0 N 0 5.0852213 -1.3534281 16.39964 1 1821 1 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 0 5.6111164 -2.2185192 15.356092 1 1822 1 +ATOM C C . THR B0 2 18 . 18 THR B0 C 0 4.466502 -2.7103484 14.473341 1 1823 1 +ATOM O O . THR B0 2 18 . 18 THR B0 O 0 3.479325 -3.2481842 14.969296 1 1824 1 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 0 6.3694744 -3.4105492 15.954599 1 1825 1 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 0 7.475418 -2.9381235 16.725262 1 1826 1 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 0 6.880377 -4.336608 14.859642 1 1827 1 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 0 4.615514 -2.5096743 13.160566 1 1828 1 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 0 3.6421318 -2.9635088 12.177153 1 1829 1 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 0 4.33862 -3.9501414 11.248236 1 1830 1 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 0 5.4543457 -3.6936164 10.796062 1 1831 1 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 0 3.0734727 -1.7760026 11.371663 1 1832 1 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 0 2.3642275 -0.79670995 12.306578 1 1833 1 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 0 2.1331959 -2.2689157 10.27507 1 1834 1 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 0 2.0032902 0.52928567 11.652399 1 1835 1 +ATOM N N . THR B0 2 20 . 20 THR B0 N 0 3.6813343 -5.081072 10.984594 1 1836 1 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 0 4.284257 -6.144046 10.184841 1 1837 1 +ATOM C C . THR B0 2 20 . 20 THR B0 C 0 3.611086 -6.254858 8.819157 1 1838 1 +ATOM O O . THR B0 2 20 . 20 THR B0 O 0 2.3974438 -6.0782948 8.694567 1 1839 1 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 0 4.198698 -7.4956694 10.913574 1 1840 1 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 0 4.8798084 -7.402967 12.170725 1 1841 1 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 0 4.81057 -8.619075 10.087898 1 1842 1 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 0 4.410039 -6.5478 7.805934 1 1843 1 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 0 3.9258704 -6.765416 6.4442987 1 1844 1 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 0 4.540008 -8.055514 5.9244795 1 1845 1 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 0 5.765232 -8.186075 5.8776126 1 1846 1 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 0 4.315016 -5.5895376 5.561743 1 1847 1 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 0 3.776028 -5.689257 3.8605819 1 1848 1 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 0 3.7014208 -9.034606 5.5594964 1 1849 1 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 0 4.171543 -10.323566 5.070836 1 1850 1 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 0 3.8258758 -10.479691 3.5962284 1 1851 1 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 0 2.6654403 -10.313098 3.202404 1 1852 1 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 0 3.5514166 -11.467489 5.8782835 1 1853 1 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 0 3.9814963 -11.494127 7.322892 1 1854 1 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 0 3.429372 -12.727068 8.015209 1 1855 1 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 0 3.8666532 -12.811028 9.412999 1 1856 1 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 0 5.0154796 -13.344419 9.792251 1 1857 1 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 0 5.8518867 -13.849756 8.890173 1 1858 1 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 0 5.3391476 -13.365803 11.072807 1 1859 1 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 0 4.8288517 -10.812225 2.8009546 1 1860 1 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 0 4.635156 -11.040377 1.3765821 1 1861 1 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 0 4.4103694 -12.529012 1.1118178 1 1862 1 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 0 4.9900975 -13.376396 1.783354 1 1863 1 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 0 5.8388634 -10.538046 0.58992714 1 1864 1 +ATOM N N . SER B0 2 24 . 24 SER B0 N 0 3.56445 -12.838617 0.1393614 1 1865 1 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 0 3.2600079 -14.235249 -0.18516442 1 1866 1 +ATOM C C . SER B0 2 24 . 24 SER B0 C 0 4.427704 -14.9334 -0.86850286 1 1867 1 +ATOM O O . SER B0 2 24 . 24 SER B0 O 0 4.4278703 -16.166832 -0.9632031 1 1868 1 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 0 2.012351 -14.312986 -1.0677792 1 1869 1 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 0 2.1991863 -13.608667 -2.2786694 1 1870 1 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 0 5.3928385 -14.171094 -1.3526096 1 1871 1 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 0 6.603749 -14.723815 -1.9462459 1 1872 1 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 0 7.7497673 -13.745258 -1.7478384 1 1873 1 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 0 7.531412 -12.590115 -1.363353 1 1874 1 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 0 6.3984976 -15.035301 -3.4288003 1 1875 1 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 0 6.0419493 -13.826657 -4.2776637 1 1876 1 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 0 5.7069397 -14.217499 -5.703603 1 1877 1 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 0 4.8363013 -15.063843 -5.91972 1 1878 1 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 0 6.3911643 -13.638736 -6.6681776 1 1879 1 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 0 8.966727 -14.203643 -1.9959309 1 1880 1 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 0 10.157267 -13.3953495 -1.7800463 1 1881 1 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 0 10.1546335 -12.164093 -2.684508 1 1882 1 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 0 10.129452 -12.292336 -3.9066389 1 1883 1 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 0 11.410044 -14.233208 -2.0345788 1 1884 1 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 0 12.681484 -13.588734 -1.5072428 1 1885 1 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 0 12.724796 -12.350581 -1.3694693 1 1886 1 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 0 13.657221 -14.334312 -1.2343295 1 1887 1 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 0 10.163168 -10.968027 -2.074393 1 1888 1 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 0 10.212723 -9.72159 -2.829336 1 1889 1 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 0 11.502287 -8.955031 -2.5584726 1 1890 1 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 0 11.612806 -7.767083 -2.9137917 1 1891 1 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 0 8.998468 -8.809826 -2.5111527 1 1892 1 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 0 8.968909 -8.439438 -1.030656 1 1893 1 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 0 7.7040977 -9.515717 -2.9208157 1 1894 1 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 0 7.9118576 -7.3980455 -0.68026507 1 1895 1 +ATOM N N . SER B0 2 28 . 28 SER B0 N 0 12.476922 -9.603461 -1.9517944 1 1896 1 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 0 13.795927 -9.030609 -1.6715865 1 1897 1 +ATOM C C . SER B0 2 28 . 28 SER B0 C 0 13.657619 -7.6912045 -0.94083226 1 1898 1 +ATOM O O . SER B0 2 28 . 28 SER B0 O 0 13.114116 -7.6531563 0.15979531 1 1899 1 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 0 14.58911 -8.876939 -2.963554 1 1900 1 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 0 14.819492 -10.145661 -3.5598946 1 1901 1 +ATOM N N . SER B0 2 29 . 29 SER B0 N 0 14.095264 -6.599802 -1.5361024 1 1902 1 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 0 14.037003 -5.282138 -0.9157373 1 1903 1 +ATOM C C . SER B0 2 29 . 29 SER B0 C 0 12.970747 -4.37324 -1.5268528 1 1904 1 +ATOM O O . SER B0 2 29 . 29 SER B0 O 0 12.964839 -3.163629 -1.2742342 1 1905 1 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 0 15.400944 -4.595474 -1.0093068 1 1906 1 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 0 16.398506 -5.332812 -0.32435954 1 1907 1 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 0 12.045924 -4.9327145 -2.3074038 1 1908 1 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 0 11.053035 -4.1387634 -3.0225852 1 1909 1 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 0 9.842309 -3.8290596 -2.1506438 1 1910 1 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 0 8.721434 -4.25959 -2.4306889 1 1911 1 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 0 10.627578 -4.850087 -4.296774 1 1912 1 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 0 10.052545 -3.063583 -1.0650504 1 1913 1 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 0 8.970591 -2.7296038 -0.15775083 1 1914 1 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 0 9.082294 -1.2836399 0.3100955 1 1915 1 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 0 10.175358 -0.8137994 0.6251586 1 1916 1 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 0 8.94801 -3.6597939 1.0573175 1 1917 1 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 0 7.657877 -3.5316978 1.8938007 1 1918 1 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 0 7.9592457 -3.0588994 3.2947931 1 1919 1 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 0 6.823305 -4.760869 1.8544245 1 1920 1 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 0 7.938367 -0.600335 0.3529247 1 1921 1 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 0 7.8612957 0.77722484 0.8262824 1 1922 1 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 0 6.757374 0.89681655 1.8664551 1 1923 1 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 0 5.854542 0.059899032 1.931046 1 1924 1 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 0 7.5947328 1.7397422 -0.3370692 1 1925 1 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 0 6.8369517 1.951963 2.686017 1 1926 1 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 0 5.8411036 2.23218 3.707352 1 1927 1 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 0 5.2892303 3.639931 3.523791 1 1928 1 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 0 6.0483713 4.5877433 3.2533517 1 1929 1 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 0 6.4412355 2.1120076 5.113742 1 1930 1 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 0 6.773862 0.7189471 5.5404987 1 1931 1 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 0 7.993313 0.111653 5.4755993 1 1932 1 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 0 5.881107 -0.24021912 6.116988 1 1933 1 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 0 7.920726 -1.1638131 5.99137 1 1934 1 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 0 6.6339455 -1.4055988 6.381752 1 1935 1 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 0 4.520139 -0.22963129 6.440839 1 1936 1 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 0 6.070737 -2.5479863 6.9535522 1 1937 1 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 0 3.9612088 -1.3644145 7.007802 1 1938 1 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 0 4.7374763 -2.5046601 7.257187 1 1939 1 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 0 3.9571443 3.7771034 3.7201762 1 1940 1 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 0 3.2730706 5.056737 3.5791516 1 1941 1 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 0 2.4289968 5.365427 4.8063116 1 1942 1 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 0 1.949193 4.4598403 5.493555 1 1943 1 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 0 2.3507805 5.0603375 2.350429 1 1944 1 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 0 3.0580573 4.776141 1.0529726 1 1945 1 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 0 3.243851 3.4677873 0.6183171 1 1946 1 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 0 3.5473285 5.8054905 0.2622332 1 1947 1 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 0 3.9007397 3.190943 -0.5695491 1 1948 1 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 0 4.203895 5.5431085 -0.931828 1 1949 1 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 0 4.376107 4.2325993 -1.3387012 1 1950 1 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 0 5.02684 3.963235 -2.507513 1 1951 1 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 0 2.234181 6.649088 5.0362997 1 1952 1 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 0 1.3516757 7.1299877 6.092471 1 1953 1 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 0 0.2131862 7.9074464 5.4494996 1 1954 1 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 0 0.44314456 8.711737 4.539027 1 1955 1 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 0 2.1236503 8.03592 7.0570984 1 1956 1 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 0 1.2586943 8.644366 8.170517 1 1957 1 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 0 1.9616367 9.797365 8.870913 1 1958 1 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 0 2.118631 10.882557 8.304575 1 1959 1 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 0 2.41472 9.564567 10.101699 1 1960 1 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 0 -1.0204344 7.6590595 5.912382 1 1961 1 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 0 -2.155315 8.413191 5.385745 1 1962 1 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 0 -3.0490634 8.898218 6.517787 1 1963 1 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 0 -3.4358282 8.118614 7.387988 1 1964 1 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 0 -2.9783883 7.5749207 4.407655 1 1965 1 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 0 -4.0891676 8.38966 3.7516365 1 1966 1 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 0 -4.958965 7.5783677 2.81898 1 1967 1 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 0 -5.299566 6.432665 3.109737 1 1968 1 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 0 -5.331811 8.17893 1.6830987 1 1969 1 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 0 -3.3607974 10.171639 6.483631 1 1970 1 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 0 -4.28799 10.770654 7.4354343 1 1971 1 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 0 -5.6062155 11.057015 6.729313 1 1972 1 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 0 -5.632186 11.220166 5.5023804 1 1973 1 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 0 -3.6896095 12.044824 8.033293 1 1974 1 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 0 -2.4609685 11.767733 8.879189 1 1975 1 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 0 -1.9450346 13.027099 9.561862 1 1976 1 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 0 -0.76566017 12.683583 10.455885 1 1977 1 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 0 -0.22304752 13.872756 11.139608 1 1978 1 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 0 -6.7264915 11.100269 7.4880896 1 1979 1 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 0 -8.037666 11.277246 6.8618736 1 1980 1 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 0 -8.096823 12.499334 5.948448 1 1981 1 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 0 -7.649742 13.588276 6.311182 1 1982 1 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 0 -8.97682 11.443068 8.061271 1 1983 1 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 0 -8.308668 10.67016 9.1522 1 1984 1 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 0 -6.833044 10.912343 8.945625 1 1985 1 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 0 -8.622677 12.292181 4.747002 1 1986 1 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 0 -8.791067 13.369593 3.7916613 1 1987 1 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 0 -7.527275 13.802813 3.0716689 1 1988 1 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 0 -7.5571585 14.794718 2.3363523 1 1989 1 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 0 -6.4270124 13.081375 3.2797818 1 1990 1 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 0 -5.1580887 13.442162 2.6590438 1 1991 1 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 0 -4.5979586 12.28377 1.8442562 1 1992 1 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 0 -4.9692183 11.125827 2.0508494 1 1993 1 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 0 -4.1412764 13.868586 3.7166753 1 1994 1 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 0 -4.5139074 15.143124 4.454072 1 1995 1 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 0 -3.3772902 15.592489 5.3557167 1 1996 1 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 0 -3.7160814 16.898457 6.0422363 1 1997 1 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 0 -2.6185088 17.348951 6.918115 1 1998 1 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 0 -3.7219667 12.622988 0.91563153 1 1999 1 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 0 -3.044296 11.6064 0.12398726 1 2000 1 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 0 -2.0019763 10.8988495 0.9770688 1 2001 1 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 0 -1.5263829 11.451093 1.9712174 1 2002 1 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 0 -2.3817427 12.242657 -1.0915775 1 2003 1 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 0 -1.6463087 9.675369 0.621147 1 2004 1 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 0 -0.5801081 8.98402 1.3523633 1 2005 1 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 0 0.74325824 9.733149 1.2439852 1 2006 1 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 0 0.9779717 10.475931 0.2877029 1 2007 1 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 0 -0.5063535 7.614387 0.6581602 1 2008 1 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 0 -1.857623 7.4286203 0.053886794 1 2009 1 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 0 -2.2762873 8.80904 -0.38740623 1 2010 1 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 0 1.5933816 9.536407 2.2459767 1 2011 1 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 0 2.9045186 10.164957 2.3043246 1 2012 1 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 0 3.964534 9.081854 2.4475894 1 2013 1 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 0 3.8540452 8.221817 3.3261333 1 2014 1 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 0 2.9761596 11.142509 3.4797535 1 2015 1 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 0 4.349766 11.725262 3.7364955 1 2016 1 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 0 4.356138 12.526146 5.032841 1 2017 1 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 0 5.752236 13.024574 5.3639956 1 2018 1 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 0 5.783472 13.735802 6.6723003 1 2019 1 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 0 4.9805346 9.121067 1.5904684 1 2020 1 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 0 6.0509048 8.131707 1.6456977 1 2021 1 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 0 6.8854103 8.300915 2.9118137 1 2022 1 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 0 7.3112526 9.408889 3.2434237 1 2023 1 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 0 6.9550953 8.252224 0.41330588 1 2024 1 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 0 8.16012 7.304742 0.36321983 1 2025 1 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 0 9.098341 7.7198687 -0.76934254 1 2026 1 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 0 7.712159 5.8627124 0.20025879 1 2027 1 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 0 7.117384 7.2047663 3.6245246 1 2028 1 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 0 7.9569926 7.204684 4.8137627 1 2029 1 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 0 9.273067 6.4851913 4.55859 1 2030 1 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 0 10.347538 7.0307093 4.8274527 1 2031 1 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 0 7.2476287 6.505683 5.978835 1 2032 1 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 0 5.9182577 7.0716834 6.474345 1 2033 1 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 0 5.3349724 6.1312246 7.5370445 1 2034 1 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 0 6.1071033 8.464861 7.046737 1 2035 1 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 0 9.1806755 5.2672844 4.071747 1 2036 1 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 0 10.324537 4.3700895 3.8920355 1 2037 1 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 0 10.255814 3.749198 2.4961605 1 2038 1 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 0 9.174101 3.3914802 2.026542 1 2039 1 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 0 10.324968 3.2407904 4.947349 1 2040 1 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 0 10.384935 3.8092356 6.3674984 1 2041 1 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 0 11.458776 2.2568355 4.696604 1 2042 1 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 0 11.727087 4.3791585 6.7678556 1 2043 1 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 0 11.406263 3.6339002 1.8271396 1 2044 1 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 0 11.475264 2.9096622 0.56350815 1 2045 1 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 0 12.659111 1.9491405 0.5910864 1 2046 1 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 0 13.572965 2.0952344 1.410292 1 2047 1 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 0 11.564289 3.8628128 -0.63332236 1 2048 1 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 0 12.78507 4.774783 -0.6339294 1 2049 1 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 0 12.744177 6.0181475 -0.0088165635 1 2050 1 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 0 13.953984 4.3995514 -1.2767456 1 2051 1 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 0 13.844748 6.861516 -0.022262607 1 2052 1 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 0 15.052431 5.236579 -1.2950048 1 2053 1 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 0 14.994177 6.4596853 -0.66450703 1 2054 1 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 0 16.086761 7.296076 -0.6860024 1 2055 1 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 0 12.632569 0.9509114 -0.28587574 1 2056 1 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 0 13.673308 -0.07359111 -0.33900666 1 2057 1 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 0 13.933735 -0.6586486 1.0468032 1 2058 1 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 0 15.070379 -0.8259394 1.4687295 1 2059 1 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 0 14.965469 0.4847456 -0.9466013 1 2060 1 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 0 14.848246 0.7547593 -2.4368126 1 2061 1 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 0 13.7817135 0.46532995 -3.021831 1 2062 1 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 0 15.824889 1.2650166 -3.0195665 1 2063 1 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 0 12.834916 -0.95706683 1.7667501 1 2064 1 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 0 12.812506 -1.6099036 3.0731266 1 2065 1 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 0 13.200429 -0.6755565 4.224317 1 2066 1 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 0 12.445816 -0.5434183 5.182524 1 2067 1 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 0 13.677378 -2.8863668 3.1258488 1 2068 1 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 0 13.613156 -3.5283735 4.506803 1 2069 1 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 0 13.224216 -3.8815262 2.0536737 1 2070 1 +ATOM N N . SER B0 2 50 . 50 SER B0 N 0 14.36756 -0.013359802 4.114693 1 2071 1 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 0 14.881673 0.71589386 5.265203 1 2072 1 +ATOM C C . SER B0 2 50 . 50 SER B0 C 0 15.348421 2.1386375 4.969902 1 2073 1 +ATOM O O . SER B0 2 50 . 50 SER B0 O 0 15.83701 2.8126717 5.8819246 1 2074 1 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 0 16.034277 -0.06443365 5.9107127 1 2075 1 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 0 17.105556 -0.22844118 4.9988937 1 2076 1 +ATOM N N . SER B0 2 51 . 51 SER B0 N 0 15.209356 2.6130953 3.7243075 1 2077 1 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 0 15.6682205 3.957313 3.3871298 1 2078 1 +ATOM C C . SER B0 2 51 . 51 SER B0 C 0 14.632864 4.995422 3.8262744 1 2079 1 +ATOM O O . SER B0 2 51 . 51 SER B0 O 0 13.479972 4.95804 3.393743 1 2080 1 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 0 15.939954 4.0787563 1.8929586 1 2081 1 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 0 16.994665 3.2226267 1.4863602 1 2082 1 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 0 15.05171 5.9306393 4.683281 1 2083 1 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 0 14.163785 6.954215 5.2116528 1 2084 1 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 0 14.040365 8.09951 4.216396 1 2085 1 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 0 15.045073 8.670546 3.7910833 1 2086 1 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 0 14.698404 7.470003 6.5469894 1 2087 1 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 0 13.767393 8.357008 7.3884573 1 2088 1 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 0 14.527113 8.983859 8.53861 1 2089 1 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 0 12.5753 7.5575304 7.886814 1 2090 1 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 0 12.794322 8.421436 3.8340619 1 2091 1 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 0 12.572714 9.525846 2.9071999 1 2092 1 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 0 12.966551 10.842938 3.5555432 1 2093 1 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 0 12.805905 11.030756 4.768076 1 2094 1 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 0 11.0933075 9.561822 2.483367 1 2095 1 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 0 10.689501 10.78104 1.6474186 1 2096 1 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 0 11.225105 10.772612 0.22811265 1 2097 1 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 0 12.312427 10.210358 -0.025151938 1 2098 1 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 0 10.556565 11.345579 -0.6531286 1 2099 1 +ATOM N N . SER B0 2 54 . 54 SER B0 N 0 13.498629 11.772859 2.7558908 1 2100 1 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 0 13.909776 13.076023 3.2685037 1 2101 1 +ATOM C C . SER B0 2 54 . 54 SER B0 C 0 12.741159 13.785527 3.9474297 1 2102 1 +ATOM O O . SER B0 2 54 . 54 SER B0 O 0 11.628037 13.813549 3.4178529 1 2103 1 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 0 14.454983 13.944151 2.136897 1 2104 1 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 0 15.6137705 13.377409 1.574626 1 2105 1 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 0 13.002248 14.355635 5.105159 1 2106 1 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 0 11.987959 15.064859 5.847204 1 2107 1 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 0 11.198141 14.219114 6.8198967 1 2108 1 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 0 10.453707 14.763003 7.639289 1 2109 1 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 0 11.3440695 12.899443 6.73433 1 2110 1 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 0 10.629427 12.002598 7.6396623 1 2111 1 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 0 11.431019 11.860099 8.930195 1 2112 1 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 0 12.643186 11.643126 8.88881 1 2113 1 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 0 10.399357 10.626324 6.9894013 1 2114 1 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 0 9.739059 9.668571 7.9699945 1 2115 1 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 0 9.554575 10.780774 5.7261286 1 2116 1 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 0 10.772374 11.989794 10.105276 1 2117 1 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 0 11.484217 11.897432 11.385727 1 2118 1 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 0 12.212506 10.563583 11.548412 1 2119 1 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 0 11.735987 9.52012 11.094716 1 2120 1 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 0 10.367656 12.054905 12.425765 1 2121 1 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 0 9.2954235 12.815229 11.717683 1 2122 1 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 0 9.349281 12.329597 10.294042 1 2123 1 +ATOM N N . SER B0 2 58 . 58 SER B0 N 0 13.357105 10.606049 12.226127 1 2124 1 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 0 14.193606 9.42737 12.412247 1 2125 1 +ATOM C C . SER B0 2 58 . 58 SER B0 C 0 13.565964 8.374767 13.32519 1 2126 1 +ATOM O O . SER B0 2 58 . 58 SER B0 O 0 14.092294 7.2597466 13.415634 1 2127 1 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 0 15.563511 9.833179 12.963495 1 2128 1 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 0 15.434664 10.492315 14.205563 1 2129 1 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 0 12.46196 8.705455 14.00663 1 2130 1 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 0 11.800409 7.7091966 14.835746 1 2131 1 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 0 11.133029 6.6244555 13.995203 1 2132 1 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 0 10.789151 5.5712357 14.527115 1 2133 1 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 0 10.77983 8.361502 15.776056 1 2134 1 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 0 9.615259 9.030472 15.0887165 1 2135 1 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 0 8.713964 9.693134 16.118942 1 2136 1 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 0 7.6275644 10.466333 15.493791 1 2137 1 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 0 7.7687197 11.731146 15.102304 1 2138 1 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 0 8.937871 12.366522 15.251131 1 2139 1 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 0 6.751116 12.3473625 14.549089 1 2140 1 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 0 10.974598 6.867009 12.679853 1 2141 1 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 0 10.467413 5.8535824 11.765503 1 2142 1 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 0 11.631895 5.0359917 11.207335 1 2143 1 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 0 12.643647 5.597294 10.7931 1 2144 1 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 0 9.710021 6.5004644 10.599579 1 2145 1 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 0 8.413793 7.1439915 10.987945 1 2146 1 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 0 8.361812 8.499384 11.285557 1 2147 1 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 0 7.2500916 6.3997593 11.038754 1 2148 1 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 0 7.165122 9.10141 11.63962 1 2149 1 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 0 6.048868 6.994684 11.38753 1 2150 1 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 0 6.0058556 8.34841 11.686206 1 2151 1 +ATOM N N . SER B0 2 61 . 61 SER B0 N 0 11.46474 3.7295918 11.197256 1 2152 1 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 0 12.489058 2.8648415 10.6157875 1 2153 1 +ATOM C C . SER B0 2 61 . 61 SER B0 C 0 11.838616 1.6165007 10.039902 1 2154 1 +ATOM O O . SER B0 2 61 . 61 SER B0 O 0 10.776631 1.1872576 10.491455 1 2155 1 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 0 13.553419 2.4744473 11.649917 1 2156 1 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 0 12.99103 1.6810495 12.679001 1 2157 1 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 0 12.45971 1.0630454 9.020089 1 2158 1 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 0 11.97639 -0.15679647 8.3944 1 2159 1 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 0 13.053616 -1.2224786 8.391592 1 2160 1 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 0 14.247979 -0.91730016 8.367523 1 2161 1 +ATOM N N . SER B0 2 63 . 63 SER B0 N 0 12.635229 -2.4637315 8.437741 1 2162 1 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 0 13.571615 -3.5803926 8.423456 1 2163 1 +ATOM C C . SER B0 2 63 . 63 SER B0 C 0 12.910824 -4.7949686 7.7844896 1 2164 1 +ATOM O O . SER B0 2 63 . 63 SER B0 O 0 11.70109 -4.810951 7.553937 1 2165 1 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 0 14.049358 -3.9232862 9.843387 1 2166 1 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 0 12.971577 -4.378055 10.635705 1 2167 1 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 0 13.732349 -5.8039956 7.509269 1 2168 1 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 0 13.226961 -7.038523 6.943446 1 2169 1 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 0 13.837978 -7.3455763 5.590434 1 2170 1 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 0 14.550621 -6.5293627 5.011696 1 2171 1 +ATOM N N . SER B0 2 65 . 65 SER B0 N 0 13.553179 -8.519091 5.106594 1 2172 1 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 0 13.992029 -8.95693 3.7874255 1 2173 1 +ATOM C C . SER B0 2 65 . 65 SER B0 C 0 13.18923 -10.182302 3.3838172 1 2174 1 +ATOM O O . SER B0 2 65 . 65 SER B0 O 0 12.62373 -10.877142 4.2280097 1 2175 1 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 0 15.489876 -9.282196 3.772575 1 2176 1 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 0 15.778697 -10.388542 4.614443 1 2177 1 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 0 13.14027 -10.434331 2.0828648 1 2178 1 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 0 12.460082 -11.630222 1.6112278 1 2179 1 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 0 10.947538 -11.517049 1.6695852 1 2180 1 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 0 10.323259 -10.928171 0.7817254 1 2181 1 +ATOM N N . THR B0 2 67 . 67 THR B0 N 0 10.362761 -12.05352 2.7389717 1 2182 1 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 0 8.916316 -12.079531 2.8711157 1 2183 1 +ATOM C C . THR B0 2 67 . 67 THR B0 C 0 8.392046 -11.364023 4.1076107 1 2184 1 +ATOM O O . THR B0 2 67 . 67 THR B0 O 0 7.190057 -11.084703 4.1795597 1 2185 1 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 0 8.381697 -13.527929 2.889466 1 2186 1 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 0 8.95155 -14.233907 3.9972477 1 2187 1 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 0 8.7251625 -14.264913 1.594626 1 2188 1 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 0 9.248843 -11.064794 5.0808687 1 2189 1 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 0 8.8004055 -10.474286 6.3375025 1 2190 1 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 0 9.422941 -9.095574 6.541995 1 2191 1 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 0 10.645998 -8.957886 6.546117 1 2192 1 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 0 9.142044 -11.388519 7.517732 1 2193 1 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 0 8.34455 -12.685395 7.491615 1 2194 1 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 0 8.872456 -13.710077 7.972194 1 2195 1 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 0 7.197651 -12.679224 6.9963303 1 2196 1 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 0 8.566261 -8.09462 6.730577 1 2197 1 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 0 9.01961 -6.7126355 6.8589907 1 2198 1 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 0 8.335588 -6.029256 8.03479 1 2199 1 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 0 7.2184353 -6.393637 8.411646 1 2200 1 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 0 8.743772 -5.941695 5.564537 1 2201 1 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 0 9.370234 -6.580793 4.364144 1 2202 1 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 0 8.681318 -7.5446696 3.6356592 1 2203 1 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 0 10.659839 -6.242837 3.9773178 1 2204 1 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 0 9.268404 -8.162247 2.541579 1 2205 1 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 0 11.25006 -6.8489904 2.8829744 1 2206 1 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 0 10.549366 -7.8090825 2.16194 1 2207 1 +ATOM N N . THR B0 2 70 . 70 THR B0 N 0 9.012887 -5.0313234 8.595117 1 2208 1 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 0 8.501371 -4.359305 9.777452 1 2209 1 +ATOM C C . THR B0 2 70 . 70 THR B0 C 0 8.720527 -2.854126 9.676569 1 2210 1 +ATOM O O . THR B0 2 70 . 70 THR B0 O 0 9.787077 -2.4009502 9.259144 1 2211 1 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 0 9.183765 -4.8811197 11.0532 1 2212 1 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 0 8.943274 -6.2846727 11.189962 1 2213 1 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 0 8.661306 -4.16588 12.296009 1 2214 1 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 0 7.6880293 -2.0934198 10.050774 1 2215 1 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 0 7.7985044 -0.6577155 10.25263 1 2216 1 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 0 7.770073 -0.40330604 11.749851 1 2217 1 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 0 6.8913774 -0.91785145 12.449667 1 2218 1 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 0 6.6455946 0.09627363 9.580729 1 2219 1 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 0 6.5881777 1.6079845 9.8538 1 2220 1 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 0 5.239375 2.1845496 9.433334 1 2221 1 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 0 7.7312727 2.3332362 9.15365 1 2222 1 +ATOM N N . THR B0 2 72 . 72 THR B0 N 0 8.7384815 0.35533574 12.241669 1 2223 1 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 0 8.806982 0.64661205 13.666027 1 2224 1 +ATOM C C . THR B0 2 72 . 72 THR B0 C 0 8.774431 2.1539564 13.897013 1 2225 1 +ATOM O O . THR B0 2 72 . 72 THR B0 O 0 9.47312 2.9085274 13.214348 1 2226 1 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 0 10.083508 0.06261737 14.295283 1 2227 1 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 0 10.081842 -1.3636603 14.15232 1 2228 1 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 0 10.178028 0.40964866 15.776866 1 2229 1 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 0 7.9367285 2.5826435 14.830623 1 2230 1 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 0 7.9479814 3.9553413 15.32284 1 2231 1 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 0 8.481245 3.864964 16.75015 1 2232 1 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 0 7.79445 3.3510723 17.634726 1 2233 1 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 0 6.5449657 4.592973 15.299719 1 2234 1 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 0 5.8673544 4.360569 13.944822 1 2235 1 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 0 6.6510744 6.0903826 15.594372 1 2236 1 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 0 4.426685 4.8564634 13.871471 1 2237 1 +ATOM N N . SER B0 2 74 . 74 SER B0 N 0 9.704984 4.324091 16.950653 1 2238 1 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 0 10.395353 4.1133623 18.22385 1 2239 1 +ATOM C C . SER B0 2 74 . 74 SER B0 C 0 9.738146 4.836395 19.392017 1 2240 1 +ATOM O O . SER B0 2 74 . 74 SER B0 O 0 9.756487 4.3286905 20.517807 1 2241 1 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 0 11.850883 4.569619 18.108234 1 2242 1 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 0 11.922149 5.9534473 17.82878 1 2243 1 +ATOM N N . SER B0 2 75 . 75 SER B0 N 0 9.161922 6.000987 19.159185 1 2244 1 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 0 8.501284 6.7786283 20.200516 1 2245 1 +ATOM C C . SER B0 2 75 . 75 SER B0 C 0 7.3292103 7.5329666 19.566858 1 2246 1 +ATOM O O . SER B0 2 75 . 75 SER B0 O 0 7.512353 8.603912 18.98684 1 2247 1 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 0 9.481506 7.7551546 20.861572 1 2248 1 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 0 8.865129 8.450342 21.939651 1 2249 1 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 0 6.140007 6.962156 19.690054 1 2250 1 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 0 4.950629 7.4818788 19.020184 1 2251 1 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 0 4.6570387 8.922394 19.437439 1 2252 1 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 0 4.669748 9.252978 20.628426 1 2253 1 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 0 3.7516823 6.586355 19.333508 1 2254 1 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 0 2.530503 6.6999254 18.42354 1 2255 1 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 0 1.3854179 5.895079 19.021858 1 2256 1 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 0 2.8581886 6.2137055 17.021223 1 2257 1 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 0 4.4017243 9.761665 18.437475 1 2258 1 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 0 4.0719633 11.166635 18.663084 1 2259 1 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 0 2.621757 11.414158 18.266453 1 2260 1 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 0 2.0357656 10.628303 17.507479 1 2261 1 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 0 5.010252 12.080703 17.869667 1 2262 1 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 0 6.4803247 11.915662 18.240707 1 2263 1 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 0 6.731864 12.195736 19.711565 1 2264 1 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 0 6.4320183 13.268068 20.21145 1 2265 1 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 0 7.2670407 11.2097 20.418694 1 2266 1 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 0 2.0071726 12.504985 18.767855 1 2267 1 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 0 0.59832 12.768879 18.448208 1 2268 1 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 0 0.30771357 12.803983 16.951881 1 2269 1 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 0 -0.7530687 12.342346 16.52269 1 2270 1 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 0 0.35125536 14.132258 19.10609 1 2271 1 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 0 1.2968825 14.170668 20.254316 1 2272 1 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 0 2.5332818 13.483345 19.747005 1 2273 1 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 0 1.2330134 13.322282 16.151257 1 2274 1 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 0 1.0102702 13.418819 14.712717 1 2275 1 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 0 1.178752 12.086819 13.994902 1 2276 1 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 0 0.95687354 12.011495 12.785424 1 2277 1 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 0 1.9448217 14.465363 14.0938 1 2278 1 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 0 3.4347277 14.13233 14.221393 1 2279 1 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 0 4.0781565 14.774566 15.425153 1 2280 1 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 0 3.3949132 14.937892 16.472116 1 2281 1 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 0 5.27705 15.110205 15.354228 1 2282 1 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 0 1.5686834 11.030485 14.712971 1 2283 1 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 0 1.7869682 9.722816 14.109224 1 2284 1 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 0 0.5348185 8.859159 14.087173 1 2285 1 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 0 0.5631006 7.774151 13.4896755 1 2286 1 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 0 2.902382 8.9734 14.848112 1 2287 1 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 0 4.2289944 9.710232 14.80719 1 2288 1 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 0 4.412923 10.560557 13.906872 1 2289 1 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 0 5.074731 9.440649 15.681606 1 2290 1 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 0 -0.54115546 9.29138 14.724098 1 2291 1 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 0 -1.7760963 8.523769 14.6890335 1 2292 1 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 0 -2.41034 8.693932 13.310749 1 2293 1 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 0 -2.8389816 9.776201 12.939615 1 2294 1 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 0 -2.7132435 8.962286 15.815308 1 2295 1 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 0 -2.1852074 8.595047 17.17397 1 2296 1 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 0 -1.5146309 9.52609 17.951992 1 2297 1 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 0 -2.342526 7.304381 17.654 1 2298 1 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 0 -1.0107005 9.177752 19.192974 1 2299 1 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 0 -1.8392171 6.9504976 18.899506 1 2300 1 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 0 -1.1707556 7.8907957 19.672497 1 2301 1 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 0 -2.4153526 7.593766 12.572096 1 2302 1 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 0 -2.8060243 7.587639 11.164745 1 2303 1 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 0 -2.9128144 6.145792 10.706047 1 2304 1 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 0 -2.7786622 5.2211127 11.498367 1 2305 1 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 0 -1.777694 8.3474 10.3218975 1 2306 1 +ATOM N N . THR B0 2 83 . 83 THR B0 N 0 -3.1670625 5.959443 9.410909 1 2307 1 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 0 -3.1786695 4.62282 8.828172 1 2308 1 +ATOM C C . THR B0 2 83 . 83 THR B0 C 0 -1.8906617 4.4296274 8.035997 1 2309 1 +ATOM O O . THR B0 2 83 . 83 THR B0 O 0 -1.4625189 5.323792 7.2995243 1 2310 1 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 0 -4.404022 4.4250975 7.9180245 1 2311 1 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 0 -5.603557 4.6277246 8.68688 1 2312 1 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 0 -4.4310656 3.0211527 7.3215275 1 2313 1 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 0 -1.2672396 3.2705393 8.201288 1 2314 1 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 0 0.0027289519 2.9618347 7.5552425 1 2315 1 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 0 -0.16271347 1.8027561 6.5726905 1 2316 1 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 0 -0.832816 0.8138656 6.873855 1 2317 1 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 0 1.0727061 2.6297355 8.599245 1 2318 1 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 0 1.3977537 3.8141403 9.480187 1 2319 1 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 0 0.61918557 4.1134195 10.598545 1 2320 1 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 0 2.4583282 4.6590242 9.179491 1 2321 1 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 0 0.8900376 5.2229557 11.384606 1 2322 1 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 0 2.7361178 5.7687626 9.965845 1 2323 1 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 0 1.9528089 6.0432653 11.065401 1 2324 1 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 0 2.217045 7.1420183 11.839119 1 2325 1 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 0 0.43840045 1.9592493 5.3911943 1 2326 1 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 0 0.3577588 0.9542681 4.340393 1 2327 1 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 0 1.7455463 0.52727383 3.878868 1 2328 1 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 0 2.638637 1.3656257 3.728569 1 2329 1 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 0 -0.39553446 1.496094 3.1145449 1 2330 1 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 0 -1.8535687 1.8060501 3.3400667 1 2331 1 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 0 -2.2633605 3.093406 3.6755128 1 2332 1 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 0 -2.8230047 0.8234364 3.1956174 1 2333 1 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 0 -3.6004167 3.3854036 3.8761976 1 2334 1 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 0 -4.1612787 1.1090338 3.3914545 1 2335 1 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 0 -4.5446234 2.3887234 3.7284532 1 2336 1 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 0 -5.860433 2.6750374 3.9251127 1 2337 1 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 0 1.9219146 -0.7738416 3.6747859 1 2338 1 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 0 3.1157851 -1.25704 2.9982877 1 2339 1 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 0 2.7816005 -1.4590049 1.5286 1 2340 1 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 0 1.6121507 -1.552485 1.1468666 1 2341 1 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 0 3.6312873 -2.562951 3.622559 1 2342 1 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 0 2.4731197 -3.9279337 3.6130123 1 2343 1 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 0 3.8125794 -1.4805996 0.6892934 1 2344 1 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 0 3.624585 -1.6034898 -0.7512922 1 2345 1 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 0 4.805271 -2.360727 -1.3586166 1 2346 1 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 0 5.950714 -2.0749514 -1.0235353 1 2347 1 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 0 3.4909039 -0.22572675 -1.4033384 1 2348 1 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 0 3.519853 -0.2589553 -2.9359179 1 2349 1 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 0 4.782527 0.36790183 -3.4973145 1 2350 1 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 0 5.0202208 1.5542698 -3.3171182 1 2351 1 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 0 5.609067 -0.43765557 -4.1609287 1 2352 1 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 0 4.4897513 -3.3255908 -2.2160077 1 2353 1 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 0 5.5302725 -4.053836 -2.9248486 1 2354 1 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 0 5.458346 -3.7567916 -4.4137545 1 2355 1 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 0 4.3846307 -3.4748616 -4.945039 1 2356 1 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 0 5.4094734 -5.5695105 -2.7044148 1 2357 1 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 0 4.1775 -6.188509 -3.3775597 1 2358 1 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 0 4.2349653 -7.702007 -3.4415302 1 2359 1 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 0 5.26997 -8.279863 -3.748902 1 2360 1 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 0 3.107227 -8.349354 -3.1431155 1 2361 1 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 0 6.607181 -3.8128529 -5.0802536 1 2362 1 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 0 6.7022204 -3.6963193 -6.528676 1 2363 1 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 0 7.430763 -4.9363604 -7.041485 1 2364 1 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 0 8.568192 -5.1873417 -6.6344986 1 2365 1 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 0 7.465863 -2.4265704 -6.9132757 1 2366 1 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 0 7.740137 -2.300251 -8.385971 1 2367 1 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 0 9.039421 -2.231811 -8.861265 1 2368 1 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 0 6.6928377 -2.232201 -9.2880945 1 2369 1 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 0 9.287413 -2.1057262 -10.220415 1 2370 1 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 0 6.936808 -2.1063151 -10.64278 1 2371 1 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 0 8.239299 -2.0435433 -11.1155815 1 2372 1 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 0 6.766347 -5.713222 -7.8783846 1 2373 1 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 0 7.2872806 -7.0033884 -8.310438 1 2374 1 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 0 7.9441175 -6.9964504 -9.690683 1 2375 1 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 0 8.13976 -8.061482 -10.280359 1 2376 1 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 0 6.1741514 -8.052498 -8.280798 1 2377 1 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 0 5.708989 -8.34565 -6.8655457 1 2378 1 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 0 6.477846 -8.239185 -5.914673 1 2379 1 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 0 4.45072 -8.727383 -6.718531 1 2380 1 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 0 8.307119 -5.8377833 -10.20122 1 2381 1 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 0 9.069887 -5.7812977 -11.43535 1 2382 1 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 0 8.236433 -5.6269593 -12.692548 1 2383 1 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 0 7.036123 -5.34988 -12.638561 1 2384 1 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 0 8.881859 -5.829859 -13.828522 1 2385 1 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 0 8.234713 -5.667611 -15.125822 1 2386 1 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 0 7.755729 -7.0050125 -15.656294 1 2387 1 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 0 8.518831 -7.972255 -15.651331 1 2388 1 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 0 9.207422 -5.0138273 -16.119225 1 2389 1 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 0 8.530215 -4.5397778 -17.377865 1 2390 1 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 0 8.269085 -5.4270597 -18.413443 1 2391 1 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 0 8.134154 -3.2114382 -17.535603 1 2392 1 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 0 7.626131 -5.0125055 -19.558569 1 2393 1 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 0 7.4974356 -2.785929 -18.684237 1 2394 1 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 0 7.2450285 -3.6891026 -19.693268 1 2395 1 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 0 6.603552 -3.2798915 -20.825157 1 2396 1 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 0 6.509458 -7.1062236 -16.194553 1 2397 1 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 0 5.5021596 -6.034977 -16.168537 1 2398 1 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 0 5.069991 -5.7324386 -14.745409 1 2399 1 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 0 5.054218 -6.6222878 -13.889259 1 2400 1 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 0 4.3523755 -6.62202 -16.994034 1 2401 1 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 0 4.4920883 -8.094514 -16.78753 1 2402 1 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 0 5.9821873 -8.34953 -16.738686 1 2403 1 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 0 4.764024 -4.468933 -14.4914465 1 2404 1 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 0 4.4902315 -4.0088186 -13.13594 1 2405 1 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 0 3.4498568 -4.8738375 -12.429201 1 2406 1 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 0 2.3607569 -5.121397 -12.959738 1 2407 1 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 0 4.0165453 -2.5506382 -13.153103 1 2408 1 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 0 5.102125 -1.5724548 -13.488527 1 2409 1 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 0 5.7133937 -1.5523055 -14.724827 1 2410 1 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 0 5.670412 -0.5809511 -12.775153 1 2411 1 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 0 6.619886 -0.59049726 -14.741771 1 2412 1 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 0 6.615842 0.015067317 -13.575941 1 2413 1 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 0 3.805471 -5.335 -11.257305 1 2414 1 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 0 2.9101346 -6.0269165 -10.345645 1 2415 1 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 0 3.0967972 -5.3928823 -8.980109 1 2416 1 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 0 4.05521 -5.700963 -8.265135 1 2417 1 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 0 3.1951652 -7.524276 -10.296047 1 2418 1 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 0 2.8232946 -8.282621 -11.57543 1 2419 1 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 0 1.3081968 -8.40855 -11.711101 1 2420 1 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 0 0.91433173 -9.239618 -12.843066 1 2421 1 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 0 0.77240986 -8.791086 -14.089515 1 2422 1 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 0 1.0071822 -7.5084267 -14.372816 1 2423 1 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 0 0.42877454 -9.603195 -15.047893 1 2424 1 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 0 2.201323 -4.483093 -8.644274 1 2425 1 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 0 2.3149755 -3.683391 -7.438475 1 2426 1 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 0 1.0770513 -3.881722 -6.584651 1 2427 1 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 0 -0.047996085 -3.853531 -7.097388 1 2428 1 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 0 2.4784174 -2.2055333 -7.824976 1 2429 1 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 0 2.732727 -1.1510744 -6.757289 1 2430 1 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 0 3.4758458 0.031075869 -7.3778687 1 2431 1 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 0 1.4397085 -0.6746087 -6.107501 1 2432 1 +ATOM N N . THR B0 2 97 . 97 THR B0 N 0 1.2788739 -4.1051383 -5.3000975 1 2433 1 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 0 0.15845537 -4.268161 -4.382831 1 2434 1 +ATOM C C . THR B0 2 97 . 97 THR B0 C 0 0.43618533 -3.5371614 -3.0739481 1 2435 1 +ATOM O O . THR B0 2 97 . 97 THR B0 O 0 1.5906056 -3.3788605 -2.6672897 1 2436 1 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 0 -0.13289458 -5.7552633 -4.066054 1 2437 1 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 0 1.0604944 -6.3891673 -3.5755787 1 2438 1 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 0 -0.62919927 -6.499556 -5.3010845 1 2439 1 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 0 -0.64063495 -3.0925193 -2.4368534 1 2440 1 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 0 -0.57341677 -2.49295 -1.1129956 1 2441 1 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 0 -1.0751498 -3.484325 -0.070996135 1 2442 1 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 0 -1.9053569 -4.345668 -0.37235546 1 2443 1 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 0 -1.4441501 -1.2321064 -1.0385392 1 2444 1 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 0 -0.94104445 -0.07201061 -1.8371174 1 2445 1 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 0 -1.404853 0.15031107 -3.1224432 1 2446 1 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 0 -0.024681222 0.81093764 -1.2910863 1 2447 1 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 0 -0.945323 1.2287588 -3.8557038 1 2448 1 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 0 0.4359737 1.8950995 -2.018772 1 2449 1 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 0 -0.027621984 2.10307 -3.3018084 1 2450 1 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 0 -0.56795865 -3.3382585 1.1521883 1 2451 1 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 0 -1.1350874 -4.0847073 2.259474 1 2452 1 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 0 -2.490336 -3.5026178 2.6299162 1 2453 1 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 0 -2.8835492 -2.4355597 2.1596437 1 2454 1 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 0 -3.2029731 -4.19477 3.4882026 1 2455 1 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 0 -4.533978 -3.7756233 3.8874168 1 2456 1 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 0 -4.5806746 -2.5581064 4.7857323 1 2457 1 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 0 -5.641217 -1.9647453 4.985548 1 2458 1 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 0 -3.4401023 -2.1712575 5.3219805 1 2459 1 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 0 -3.3698308 -1.0010616 6.1814413 1 2460 1 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 0 -3.448007 -1.3307183 7.658662 1 2461 1 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 0 -4.0478907 -2.3370695 8.0577965 1 2462 1 +ATOM N N . THR B0 2 102 . 102 THR B0 N 0 -2.8236613 -0.48668945 8.45921 1 2463 1 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 0 -2.8866997 -0.58607024 9.908773 1 2464 1 +ATOM C C . THR B0 2 102 . 102 THR B0 C 0 -3.2480094 0.7900465 10.453961 1 2465 1 +ATOM O O . THR B0 2 102 . 102 THR B0 O 0 -2.5161247 1.7594621 10.229776 1 2466 1 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 0 -1.5468557 -1.0382562 10.518476 1 2467 1 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 0 -1.2456796 -2.3713377 10.088659 1 2468 1 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 0 -1.6046727 -1.000952 12.046421 1 2469 1 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 0 -4.3740635 0.87532794 11.150817 1 2470 1 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 0 -4.801485 2.1399083 11.731932 1 2471 1 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 0 -4.291971 2.2290874 13.164286 1 2472 1 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 0 -4.638546 1.394589 14.003799 1 2473 1 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 0 -6.3270235 2.2681746 11.699436 1 2474 1 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 0 -6.8148847 3.6535313 12.104559 1 2475 1 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 0 -8.313979 3.800501 11.867116 1 2476 1 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 0 -8.771093 5.2256384 12.175432 1 2477 1 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 0 -10.209 5.397909 11.923665 1 2478 1 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 0 -3.4433107 3.2134938 13.413247 1 2479 1 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 0 -2.886408 3.4228683 14.745556 1 2480 1 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 0 -3.7382822 4.468858 15.448122 1 2481 1 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 0 -3.7954211 5.624998 15.019161 1 2482 1 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 0 -1.4164331 3.8774137 14.687108 1 2483 1 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 0 -0.87617844 4.093122 16.089018 1 2484 1 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 0 -0.58086896 2.8418121 13.931332 1 2485 1 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 0 -4.3861685 4.0613422 16.521555 1 2486 1 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 0 -5.2939143 4.930882 17.26523 1 2487 1 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 0 -4.7825394 5.1639357 18.686016 1 2488 1 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 0 -3.8924708 4.4612126 19.165188 1 2489 1 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 0 -6.698917 4.3271666 17.302608 1 2490 1 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 0 -7.3020744 4.13521 15.921123 1 2491 1 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 0 -8.748667 3.6908007 15.949322 1 2492 1 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 0 -9.590164 4.3557286 15.323026 1 2493 1 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 0 -9.036878 2.6727276 16.611275 1 2494 1 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 0 -5.358259 6.1758585 19.34191 1 2495 1 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 0 -4.9072523 6.581101 20.665337 1 2496 1 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 0 -5.5281305 5.682994 21.735579 1 2497 1 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 0 -6.746108 5.49115 21.757624 1 2498 1 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 0 -5.2677226 8.051163 20.944134 1 2499 1 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 0 -4.73314 8.951799 19.829882 1 2500 1 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 0 -4.735386 8.482479 22.312723 1 2501 1 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 0 -5.2607617 10.382612 19.879719 1 2502 1 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 0 -4.6923685 5.160037 22.612114 1 2503 1 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 0 -5.1649227 4.347132 23.72197 1 2504 1 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 0 -5.5943127 5.2488422 24.868038 1 2505 1 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 0 -4.9243546 6.2431087 25.175482 1 2506 1 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 0 -4.069559 3.3840384 24.199081 1 2507 1 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 0 -4.5033894 2.499202 25.371143 1 2508 1 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 0 -3.336217 1.6836979 25.92777 1 2509 1 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 0 -2.8453457 0.65002084 24.929424 1 2510 1 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 0 -1.7653449 -0.19696708 25.508205 1 2511 1 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 0 -6.7021236 4.9007874 25.495388 1 2512 1 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 0 -7.183564 5.6154366 26.669403 1 2513 1 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 0 -7.9411907 4.6444445 27.548225 1 2514 1 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 0 -8.109583 3.473844 27.17839 1 2515 1 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 0 -8.074415 6.8006945 26.285181 1 2516 1 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 0 -9.346512 6.431285 25.52042 1 2517 1 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 0 -10.457338 7.425187 25.810207 1 2518 1 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 0 -10.969583 7.234731 27.167408 1 2519 1 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 0 -11.545464 8.185465 27.897257 1 2520 1 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 0 -11.682235 9.401786 27.405792 1 2521 1 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 0 -11.976251 7.9013147 29.120834 1 2522 1 +ATOM N N . THR B0 2 109 . 109 THR B0 N 0 -8.40074 5.092847 28.703709 1 2523 1 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 0 -9.148626 4.23394 29.611061 1 2524 1 +ATOM C C . THR B0 2 109 . 109 THR B0 C 0 -10.524265 3.9213681 29.035149 1 2525 1 +ATOM O O . THR B0 2 109 . 109 THR B0 O 0 -11.075443 4.6906176 28.236538 1 2526 1 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 0 -9.310131 4.892421 30.993763 1 2527 1 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 0 -9.975365 6.1542835 30.845274 1 2528 1 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 0 -7.95874 5.1053734 31.66895 1 2529 1 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 0 -11.055466 2.7701037 29.441914 1 2530 1 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 0 -12.377922 2.3640847 28.97747 1 2531 1 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 0 -13.415676 3.3803744 29.445007 1 2532 1 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 0 -13.390259 3.8223886 30.594664 1 2533 1 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 0 -12.736372 0.9529389 29.489815 1 2534 1 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 0 -14.164061 0.5931369 29.115402 1 2535 1 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 0 -11.761781 -0.07822484 28.933918 1 2536 1 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 0 -14.307026 3.7487786 28.54706 1 2537 1 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 0 -15.373907 4.6913223 28.863472 1 2538 1 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 0 -16.68414 4.1441946 28.306856 1 2539 1 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 0 -16.794353 3.8977098 27.10218 1 2540 1 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 0 -15.084005 6.0725613 28.281067 1 2541 1 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 0 -17.660233 3.9453177 29.188515 1 2542 1 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 0 -18.958683 3.4394016 28.76361 1 2543 1 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 0 -19.738735 4.5199795 28.011675 1 2544 1 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 0 -19.615135 5.7077513 28.324005 1 2545 1 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 0 -19.76186 2.964312 29.968777 1 2546 1 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 0 -20.534883 4.1199646 27.01847 1 2547 1 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 0 -21.304842 5.118838 26.274172 1 2548 1 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 0 -22.507092 5.617861 27.05581 1 2549 1 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 0 -23.1102 4.87214 27.839441 1 2550 1 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 0 -21.754475 4.3561707 25.023949 1 2551 1 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 0 -21.87202 2.944336 25.48754 1 2552 1 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 0 -20.737572 2.7537432 26.47418 1 2553 1 +ATOM N N . SER B0 2 114 . 114 SER B0 N 0 -22.8293 6.879236 26.852806 1 2554 1 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 0 -24.111795 7.402485 27.301142 1 2555 1 +ATOM C C . SER B0 2 114 . 114 SER B0 C 0 -25.084946 7.130866 26.165222 1 2556 1 +ATOM O O . SER B0 2 114 . 114 SER B0 O 0 -24.816502 7.5178733 25.014133 1 2557 1 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 0 -24.028917 8.895603 27.600388 1 2558 1 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 0 -23.093418 9.16345 28.646362 1 2559 1 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 0 -26.188213 6.4424524 26.458664 1 2560 1 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 0 -27.108078 5.995449 25.421732 1 2561 1 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 0 -28.383448 6.839263 25.434853 1 2562 1 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 0 -28.98977 7.063528 26.486073 1 2563 1 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 0 -27.453152 4.4988475 25.587202 1 2564 1 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 0 -28.31446 4.0174446 24.428665 1 2565 1 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 0 -26.174736 3.6697245 25.68839 1 2566 1 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 0 -28.784922 7.2909827 24.24178 1 2567 1 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 0 -29.998722 8.077429 24.068169 1 2568 1 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 0 -30.786348 7.5210314 22.894733 1 2569 1 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 0 -30.196625 7.01583 21.931131 1 2570 1 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 0 -29.669292 9.557892 23.807589 1 2571 1 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 0 -28.728054 10.166006 24.805674 1 2572 1 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 0 -27.357811 10.17255 24.579456 1 2573 1 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 0 -29.21462 10.752201 25.960888 1 2574 1 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 0 -26.489628 10.740333 25.500673 1 2575 1 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 0 -28.35386 11.323881 26.881634 1 2576 1 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 0 -26.988388 11.317863 26.647707 1 2577 1 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 0 -32.13132 7.613249 22.96547 1 2578 1 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 0 -32.95888 7.163927 21.853567 1 2579 1 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 0 -33.91008 8.293535 21.45486 1 2580 1 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 0 -34.42723 9.024201 22.305733 1 2581 1 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 0 -33.74993 5.8753533 22.204323 1 2582 1 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 0 -34.435673 5.305943 20.959461 1 2583 1 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 0 -34.749603 6.137415 23.333675 1 2584 1 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 0 -34.990234 3.890762 21.154617 1 2585 1 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 0 -34.099564 8.4644985 20.137333 1 2586 1 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 0 -34.952744 9.526722 19.609787 1 2587 1 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 0 -36.054405 8.9392185 18.734558 1 2588 1 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 0 -35.752056 8.264725 17.74237 1 2589 1 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 0 -34.13601 10.524978 18.780966 1 2590 1 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 0 -33.036575 11.207677 19.537708 1 2591 1 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 0 -31.74364 10.701944 19.530304 1 2592 1 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 0 -33.294464 12.369009 20.23743 1 2593 1 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 0 -30.73173 11.34374 20.220665 1 2594 1 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 0 -32.28578 13.012659 20.930466 1 2595 1 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 0 -31.000158 12.496996 20.922844 1 2596 1 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 0 -37.339268 9.189607 19.064209 1 2597 1 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 0 -38.423862 8.74168 18.187162 1 2598 1 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 0 -38.444916 9.55794 16.896446 1 2599 1 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 0 -37.851715 10.640835 16.833475 1 2600 1 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 0 -39.68622 9.006101 19.02471 1 2601 1 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 0 -39.19938 9.209328 20.425503 1 2602 1 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 0 -37.82463 9.800242 20.274513 1 2603 1 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 0 -39.120033 9.046664 15.84963 1 2604 1 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 0 -39.227814 9.845255 14.623201 1 2605 1 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 0 -40.057545 11.0955515 14.862913 1 2606 1 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 0 -40.970753 11.096561 15.695527 1 2607 1 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 0 -39.92473 8.891731 13.640768 1 2608 1 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 0 -40.65265 7.922943 14.503213 1 2609 1 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 0 -39.79103 7.7478724 15.720552 1 2610 1 +ATOM N N . SER B0 2 121 . 121 SER B0 N 0 -39.734745 12.155479 14.137582 1 2611 1 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 0 -40.482975 13.398707 14.274504 1 2612 1 +ATOM C C . SER B0 2 121 . 121 SER B0 C 0 -41.826225 13.292126 13.567024 1 2613 1 +ATOM O O . SER B0 2 121 . 121 SER B0 O 0 -41.989197 12.518227 12.619478 1 2614 1 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 0 -39.680485 14.563579 13.685534 1 2615 1 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 0 -39.5759 14.41736 12.275597 1 2616 1 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 0 -42.77341 14.070019 14.041404 1 2617 1 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 0 -44.075264 14.107147 13.380335 1 2618 1 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 0 -43.942352 14.605652 11.947032 1 2619 1 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 0 -44.668427 14.149184 11.060585 1 2620 1 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 0 -45.044052 15.006811 14.157974 1 2621 1 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 0 -45.503395 14.38559 15.461512 1 2622 1 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 0 -45.471928 13.145416 15.567815 1 2623 1 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 0 -45.893074 15.13732 16.37244 1 2624 1 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 0 -43.00618 15.519325 11.716202 1 2625 1 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 0 -42.79283 16.044971 10.37738 1 2626 1 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 0 -42.355057 14.943148 9.420522 1 2627 1 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 0 -42.829956 14.866201 8.287541 1 2628 1 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 0 -41.760437 17.177408 10.390345 1 2629 1 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 0 -41.513695 17.775864 9.005426 1 2630 1 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 0 -40.503242 18.897575 8.993798 1 2631 1 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 0 -40.047604 19.299976 10.089108 1 2632 1 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 0 -40.14673 19.380373 7.9076986 1 2633 1 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 0 -41.439644 14.077469 9.872737 1 2634 1 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 0 -40.972553 12.997404 9.009776 1 2635 1 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 0 -42.09093 12.007362 8.731243 1 2636 1 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 0 -42.211414 11.507259 7.614908 1 2637 1 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 0 -39.775402 12.266875 9.626254 1 2638 1 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 0 -39.230003 11.197446 8.686112 1 2639 1 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 0 -38.181076 10.312386 9.303812 1 2640 1 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 0 -38.12847 10.1546955 10.520601 1 2641 1 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 0 -37.340164 9.716639 8.463418 1 2642 1 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 0 -42.900917 11.7088585 9.735546 1 2643 1 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 0 -43.98339 10.746814 9.561754 1 2644 1 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 0 -44.951233 11.175265 8.464788 1 2645 1 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 0 -45.56421 10.324166 7.8135877 1 2646 1 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 0 -44.735428 10.546622 10.881038 1 2647 1 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 0 -43.96094 9.790184 11.960037 1 2648 1 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 0 -44.731476 9.797643 13.277656 1 2649 1 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 0 -43.667355 8.371892 11.508425 1 2650 1 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 0 -45.08204 12.487455 8.235962 1 2651 1 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 0 -45.934372 12.977476 7.1582627 1 2652 1 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 0 -45.43492 12.537817 5.7895737 1 2653 1 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 0 -46.217346 12.43203 4.84578 1 2654 1 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 0 -46.025543 14.505982 7.197933 1 2655 1 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 0 -46.717247 15.061509 8.429678 1 2656 1 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 0 -46.734127 16.587162 8.381866 1 2657 1 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 0 -47.410034 17.158611 9.613731 1 2658 1 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 0 -47.40683 18.646969 9.591459 1 2659 1 +ATOM N N . SER B0 2 127 . 127 SER B0 N 0 -44.123436 12.259125 5.6901646 1 2660 1 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 0 -43.538315 11.848309 4.418824 1 2661 1 +ATOM C C . SER B0 2 127 . 127 SER B0 C 0 -43.666992 10.35345 4.1820216 1 2662 1 +ATOM O O . SER B0 2 127 . 127 SER B0 O 0 -43.315926 9.873426 3.09858 1 2663 1 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 0 -42.07141 12.248516 4.3622293 1 2664 1 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 0 -41.30101 11.4733925 5.261485 1 2665 1 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 0 -44.178925 9.606983 5.153625 1 2666 1 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 0 -44.38871 8.179574 5.006379 1 2667 1 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 0 -43.27411 7.2952957 5.511042 1 2668 1 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 0 -43.342606 6.073639 5.3425007 1 2669 1 +ATOM N N . THR B0 2 129 . 129 THR B0 N 0 -42.254803 7.863154 6.1355524 1 2670 1 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 0 -41.132195 7.089122 6.6578617 1 2671 1 +ATOM C C . THR B0 2 129 . 129 THR B0 C 0 -40.86423 7.473629 8.104526 1 2672 1 +ATOM O O . THR B0 2 129 . 129 THR B0 O 0 -41.115555 8.611856 8.505397 1 2673 1 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 0 -39.871967 7.3133087 5.811805 1 2674 1 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 0 -40.139297 6.931484 4.4608183 1 2675 1 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 0 -38.707283 6.4786105 6.3372207 1 2676 1 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 0 -40.333954 6.5114064 8.864832 1 2677 1 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 0 -40.000885 6.747846 10.26169 1 2678 1 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 0 -38.55228 6.34262 10.513661 1 2679 1 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 0 -38.169685 5.204009 10.245468 1 2680 1 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 0 -40.939182 5.965135 11.177582 1 2681 1 +ATOM N N . SER B0 2 131 . 131 SER B0 N 0 -37.746613 7.281514 11.024195 1 2682 1 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 0 -36.36862 7.0048866 11.401405 1 2683 1 +ATOM C C . SER B0 2 131 . 131 SER B0 C 0 -36.239273 7.108148 12.915395 1 2684 1 +ATOM O O . SER B0 2 131 . 131 SER B0 O 0 -36.575897 8.144659 13.495337 1 2685 1 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 0 -35.40663 7.988563 10.731602 1 2686 1 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 0 -35.41387 7.8568664 9.328918 1 2687 1 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 0 -35.792454 6.0179543 13.521166 1 2688 1 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 0 -35.553394 5.9979095 14.959621 1 2689 1 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 0 -34.044262 6.016622 15.153839 1 2690 1 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 0 -33.326363 5.202343 14.557743 1 2691 1 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 0 -36.167053 4.748613 15.624825 1 2692 1 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 0 -36.18309 4.91105 17.135967 1 2693 1 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 0 -37.58809 4.498075 15.10236 1 2694 1 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 0 -33.556816 6.9331827 15.985928 1 2695 1 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 0 -32.12345 7.1149025 16.140594 1 2696 1 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 0 -31.678024 6.744758 17.551394 1 2697 1 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 0 -32.287655 7.1723766 18.542517 1 2698 1 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 0 -31.703678 8.566738 15.823959 1 2699 1 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 0 -30.216183 8.761969 16.075396 1 2700 1 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 0 -32.057938 8.905005 14.376003 1 2701 1 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 0 -30.608356 5.9401283 17.61605 1 2702 1 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 0 -29.984543 5.5830326 18.885489 1 2703 1 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 0 -28.586372 6.1777253 18.896011 1 2704 1 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 0 -27.801964 5.9552164 17.964367 1 2705 1 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 0 -29.926855 4.06721 19.048733 1 2706 1 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 0 -29.353525 3.4997263 20.654182 1 2707 1 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 0 -28.264973 6.9424953 19.942472 1 2708 1 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 0 -26.975422 7.6085906 20.060804 1 2709 1 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 0 -26.15704 6.9912853 21.187918 1 2710 1 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 0 -26.640938 6.8654766 22.317974 1 2711 1 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 0 -27.17654 9.11062 20.32948 1 2712 1 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 0 -25.939068 9.900469 20.756111 1 2713 1 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 0 -26.330776 11.30356 21.203169 1 2714 1 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 0 -24.905167 9.963932 19.635693 1 2715 1 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 0 -24.921019 6.58679 20.86018 1 2716 1 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 0 -23.955437 6.1207647 21.85155 1 2717 1 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 0 -22.882786 7.1899934 21.915392 1 2718 1 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 0 -22.126335 7.3823905 20.954983 1 2719 1 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 0 -23.343462 4.788804 21.424225 1 2720 1 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 0 -24.165237 3.5120206 21.561007 1 2721 1 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 0 -25.412586 3.5407777 20.701735 1 2722 1 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 0 -23.314667 2.2987638 21.22035 1 2723 1 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 0 -22.812504 7.900093 23.030666 1 2724 1 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 0 -21.963926 9.079823 23.113783 1 2725 1 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 0 -20.711742 8.870368 23.961761 1 2726 1 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 0 -20.78609 8.357589 25.086058 1 2727 1 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 0 -22.766218 10.260336 23.668823 1 2728 1 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 0 -22.22491 11.597034 23.228592 1 2729 1 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 0 -21.95678 11.819063 22.039831 1 2730 1 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 0 -22.080135 12.511068 24.156668 1 2731 1 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 0 -19.570536 9.281 23.40947 1 2732 1 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 0 -18.289661 9.3912735 24.10055 1 2733 1 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 0 -17.87825 8.101948 24.803555 1 2734 1 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 0 -17.773018 8.052231 26.031223 1 2735 1 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 0 -18.322186 10.558573 25.089388 1 2736 1 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 0 -18.52441 11.886127 24.400974 1 2737 1 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 0 -18.323818 12.020628 23.192022 1 2738 1 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 0 -18.911802 12.90752 25.163832 1 2739 1 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 0 -17.56934 7.0667553 24.01741 1 2740 1 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 0 -17.161701 5.788465 24.580605 1 2741 1 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 0 -15.803501 5.344371 24.035624 1 2742 1 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 0 -15.308297 5.872755 23.03676 1 2743 1 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 0 -18.214987 4.7032404 24.318977 1 2744 1 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 0 -18.492447 4.4485 22.862862 1 2745 1 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 0 -19.464733 5.1685686 22.1851 1 2746 1 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 0 -17.789406 3.4674563 22.174398 1 2747 1 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 0 -19.72667 4.92029 20.84562 1 2748 1 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 0 -18.047886 3.2171519 20.839588 1 2749 1 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 0 -19.018532 3.9415119 20.173786 1 2750 1 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 0 -15.206702 4.366612 24.716537 1 2751 1 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 0 -13.947976 3.753804 24.319742 1 2752 1 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 0 -13.851477 2.394392 24.982546 1 2753 1 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 0 -14.17733 2.2720766 26.159351 1 2754 1 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 0 -12.748869 4.6246376 24.709145 1 2755 1 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 0 -11.432648 4.08064 24.197914 1 2756 1 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 0 -10.721757 3.1279056 24.929783 1 2757 1 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 0 -10.935212 4.4673815 22.964516 1 2758 1 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 0 -9.552338 2.5906222 24.445679 1 2759 1 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 0 -9.761208 3.9293084 22.473972 1 2760 1 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 0 -9.0711975 2.991097 23.218176 1 2761 1 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 0 -7.9194736 2.4540622 22.728386 1 2762 1 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 0 -13.401363 1.35424 24.262608 1 2763 1 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 0 -12.930511 1.3196287 22.87439 1 2764 1 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 0 -14.059185 1.3883443 21.847218 1 2765 1 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 0 -15.228688 1.4695225 22.210754 1 2766 1 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 0 -12.205196 -0.024980526 22.801878 1 2767 1 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 0 -12.922741 -0.8818568 23.787907 1 2768 1 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 0 -13.278628 0.047588006 24.91607 1 2769 1 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 0 -13.676761 1.3752971 20.578075 1 2770 1 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 0 -14.611959 1.5966687 19.484695 1 2771 1 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 0 -15.646398 0.48262593 19.340946 1 2772 1 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 0 -16.774504 0.7255957 18.918903 1 2773 1 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 0 -13.841537 1.7644012 18.175838 1 2774 1 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 0 -14.680675 2.193797 16.986332 1 2775 1 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 0 -13.791874 2.3833523 15.775393 1 2776 1 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 0 -14.482477 2.9922462 14.637608 1 2777 1 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 0 -15.169737 2.3033655 13.736067 1 2778 1 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 0 -15.256371 0.9779527 13.834498 1 2779 1 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 0 -15.770973 2.9348884 12.742627 1 2780 1 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 0 -15.253134 -0.76189053 19.708796 1 2781 1 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 0 -16.13174 -1.9142755 19.534422 1 2782 1 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 0 -17.37934 -1.781925 20.402065 1 2783 1 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 0 -17.291363 -1.6498189 21.62276 1 2784 1 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 0 -15.404473 -3.2169156 19.875874 1 2785 1 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 0 -14.341703 -3.6147726 18.86121 1 2786 1 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 0 -13.105934 -2.745661 18.913273 1 2787 1 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 0 -12.445792 -2.5913062 17.865746 1 2788 1 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 0 -12.794313 -2.208174 19.998325 1 2789 1 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 0 -18.527061 -1.8004421 19.759327 1 2790 1 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 0 -19.810236 -1.7146223 20.450247 1 2791 1 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 0 -20.856583 -2.447135 19.631393 1 2792 1 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 0 -20.772657 -2.5067372 18.407597 1 2793 1 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 0 -20.235622 -0.2632321 20.67929 1 2794 1 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 0 -21.836155 -3.0266056 20.329382 1 2795 1 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 0 -22.911034 -3.7533455 19.66062 1 2796 1 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 0 -24.235712 -3.050805 19.904255 1 2797 1 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 0 -24.581581 -2.763808 21.061136 1 2798 1 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 0 -22.980259 -5.201066 20.169712 1 2799 1 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 0 -24.106995 -6.026416 19.574978 1 2800 1 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 0 -24.127258 -7.4259586 20.191362 1 2801 1 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 0 -25.289848 -8.248938 19.656702 1 2802 1 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 0 -25.334877 -9.586052 20.292503 1 2803 1 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 0 -24.953451 -2.7569041 18.82057 1 2804 1 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 0 -26.259514 -2.1141715 18.90884 1 2805 1 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 0 -27.294914 -3.0419586 18.288898 1 2806 1 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 0 -27.158392 -3.4524412 17.132896 1 2807 1 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 0 -26.28323 -0.7533811 18.188057 1 2808 1 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 0 -27.678825 -0.13696542 18.276772 1 2809 1 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 0 -25.244343 0.19064717 18.79127 1 2810 1 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 0 -28.307882 -3.391741 19.06889 1 2811 1 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 0 -29.386887 -4.2397566 18.571741 1 2812 1 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 0 -30.716387 -3.5098805 18.727005 1 2813 1 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 0 -30.995682 -2.949011 19.793236 1 2814 1 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 0 -29.429798 -5.5755157 19.311 1 2815 1 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 0 -28.34731 -6.5428276 18.899221 1 2816 1 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 0 -28.588425 -7.93382 19.459526 1 2817 1 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 0 -28.65723 -8.122286 20.671127 1 2818 1 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 0 -28.736292 -8.909035 18.575993 1 2819 1 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 0 -31.501093 -3.534831 17.674246 1 2820 1 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 0 -32.816956 -2.9238477 17.69902 1 2821 1 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 0 -33.879025 -3.9803276 17.971783 1 2822 1 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 0 -33.83409 -5.086998 17.421703 1 2823 1 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 0 -33.118027 -2.223439 16.364069 1 2824 1 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 0 -32.42031 -0.91583604 16.183815 1 2825 1 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 0 -31.291039 -0.68736 15.460836 1 2826 1 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 0 -32.819096 0.3476972 16.725052 1 2827 1 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 0 -30.954388 0.64108074 15.510765 1 2828 1 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 0 -31.875177 1.3003752 16.282513 1 2829 1 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 0 -33.881584 0.7625691 17.53713 1 2830 1 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 0 -31.963074 2.649004 16.626106 1 2831 1 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 0 -33.965828 2.102309 17.87809 1 2832 1 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 0 -33.011353 3.026674 17.42704 1 2833 1 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 0 -34.82807 -3.6371179 18.810282 1 2834 1 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 0 -35.958294 -4.517723 19.1095 1 2835 1 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 0 -37.254074 -3.7340965 18.948383 1 2836 1 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 0 -37.3919 -2.6356087 19.49915 1 2837 1 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 0 -35.858547 -5.087714 20.532505 1 2838 1 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 0 -34.682076 -6.0161467 20.748852 1 2839 1 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 0 -34.678246 -6.542797 22.187756 1 2840 1 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 0 -33.508698 -7.48831 22.405888 1 2841 1 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 0 -33.474297 -7.9968815 23.801023 1 2842 1 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 0 -38.180206 -4.3119893 18.193695 1 2843 1 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 0 -39.496193 -3.714935 17.994339 1 2844 1 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 0 -40.51496 -4.6913695 18.56182 1 2845 1 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 0 -40.68747 -5.795948 18.031092 1 2846 1 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 0 -39.775475 -3.4386306 16.508347 1 2847 1 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 0 -41.17233 -2.8480043 16.34314 1 2848 1 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 0 -38.719753 -2.4907134 15.940105 1 2849 1 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 0 -41.193855 -4.298586 19.649923 1 2850 1 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 0 -42.0765 -5.1971397 20.390139 1 2851 1 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 0 -41.359375 -6.5101233 20.69445 1 2852 1 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 0 -41.899265 -7.6018443 20.498165 1 2853 1 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 0 -43.383923 -5.4522014 19.623472 1 2854 1 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 0 -44.318443 -4.2531967 19.651201 1 2855 1 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 0 -44.172066 -3.3892972 20.535969 1 2856 1 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 0 -45.21426 -4.1738715 18.783468 1 2857 1 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 0 -40.112785 -6.3817787 21.130192 1 2858 1 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 0 -39.240944 -7.4802523 21.550894 1 2859 1 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 0 -38.744743 -8.359894 20.408741 1 2860 1 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 0 -38.093582 -9.377636 20.661808 1 2861 1 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 0 -39.921783 -8.347388 22.612833 1 2862 1 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 0 -40.113686 -7.611274 23.92721 1 2863 1 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 0 -39.213432 -6.8984804 24.372944 1 2864 1 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 0 -41.27799 -7.785696 24.548904 1 2865 1 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 0 -39.019745 -7.9851007 19.168982 1 2866 1 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 0 -38.530327 -8.734787 18.0175 1 2867 1 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 0 -37.23103 -8.106609 17.50765 1 2868 1 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 0 -37.196022 -6.91675 17.185328 1 2869 1 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 0 -39.575382 -8.76746 16.910461 1 2870 1 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 0 -36.16294 -8.923128 17.431187 1 2871 1 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 0 -34.867157 -8.435725 16.963005 1 2872 1 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 0 -34.947704 -8.025326 15.491778 1 2873 1 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 0 -35.487183 -8.75964 14.663862 1 2874 1 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 0 -33.796455 -9.514642 17.144215 1 2875 1 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 0 -33.40055 -9.845737 18.583801 1 2876 1 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 0 -32.43406 -11.024684 18.606781 1 2877 1 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 0 -32.77819 -8.636126 19.264645 1 2878 1 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 0 -34.379906 -6.8712816 15.197395 1 2879 1 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 0 -34.381287 -6.3507233 13.839798 1 2880 1 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 0 -33.077423 -6.6734 13.126123 1 2881 1 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 0 -32.025497 -6.8160954 13.763288 1 2882 1 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 0 -34.592197 -4.831083 13.83709 1 2883 1 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 0 -35.853325 -4.4013324 14.543894 1 2884 1 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 0 -37.09961 -4.9057426 13.843456 1 2885 1 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 0 -37.36365 -4.5473666 12.711943 1 2886 1 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 0 -37.850998 -5.7780533 14.491081 1 2887 1 +ATOM N N . SER B0 2 156 . 156 SER B0 N 0 -33.163414 -6.798902 11.808544 1 2888 1 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 0 -31.971638 -7.0062675 11.001154 1 2889 1 +ATOM C C . SER B0 2 156 . 156 SER B0 C 0 -32.209824 -6.453169 9.598382 1 2890 1 +ATOM O O . SER B0 2 156 . 156 SER B0 O 0 -33.30664 -6.577785 9.053576 1 2891 1 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 0 -31.594053 -8.482441 10.94114 1 2892 1 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 0 -32.590992 -9.240408 10.287036 1 2893 1 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 0 -31.181103 -5.8388166 9.031791 1 2894 1 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 0 -31.24231 -5.333347 7.675003 1 2895 1 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 0 -31.943901 -4.009245 7.4924994 1 2896 1 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 0 -32.061333 -3.5317507 6.3535337 1 2897 1 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 0 -32.41617 -3.414722 8.565384 1 2898 1 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 0 -33.135384 -2.1563118 8.443486 1 2899 1 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 0 -32.540558 -1.0318605 9.2881775 1 2900 1 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 0 -33.23761 -0.07142374 9.630233 1 2901 1 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 0 -34.62367 -2.3408823 8.782824 1 2902 1 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 0 -34.8487 -2.9720764 10.150702 1 2903 1 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 0 -33.895973 -3.2956583 10.874916 1 2904 1 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 0 -36.11113 -3.162115 10.517486 1 2905 1 +ATOM N N . SER B0 2 159 . 159 SER B0 N 0 -31.26214 -1.1482911 9.591734 1 2906 1 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 0 -30.586319 -0.09174785 10.332065 1 2907 1 +ATOM C C . SER B0 2 159 . 159 SER B0 C 0 -29.194553 0.13663867 9.766739 1 2908 1 +ATOM O O . SER B0 2 159 . 159 SER B0 O 0 -28.606459 -0.75223315 9.144818 1 2909 1 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 0 -30.508446 -0.43528926 11.826028 1 2910 1 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 0 -29.722788 -1.5860949 12.050578 1 2911 1 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 0 -28.691885 1.3315024 9.965088 1 2912 1 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 0 -27.3491 1.6909525 9.523751 1 2913 1 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 0 -26.636126 2.4583588 10.627785 1 2914 1 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 0 -27.251553 3.2717552 11.326445 1 2915 1 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 0 -27.398802 2.5376024 8.250879 1 2916 1 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 0 -27.839916 1.7783115 7.019099 1 2917 1 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 0 -27.732819 2.616356 5.764451 1 2918 1 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 0 -28.450912 3.6015425 5.6052313 1 2919 1 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 0 -26.820023 2.2417817 4.8726573 1 2920 1 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 0 -25.32441 2.1921625 10.7689 1 2921 1 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 0 -24.51736 2.8466196 11.790016 1 2922 1 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 0 -23.518661 3.8144321 11.166952 1 2923 1 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 0 -23.075134 3.6326702 10.034822 1 2924 1 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 0 -23.749672 1.8105557 12.619453 1 2925 1 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 0 -24.628778 0.9627951 13.518765 1 2926 1 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 0 -23.816414 0.018338667 14.39374 1 2927 1 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 0 -24.41611 -0.7045535 15.211578 1 2928 1 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 0 -22.566803 -0.0024018208 14.271622 1 2929 1 +ATOM N N . SER B0 2 162 . 162 SER B0 N 0 -23.172623 4.8219376 11.932503 1 2930 1 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 0 -22.127037 5.762806 11.556462 1 2931 1 +ATOM C C . SER B0 2 162 . 162 SER B0 C 0 -21.337563 6.111711 12.81259 1 2932 1 +ATOM O O . SER B0 2 162 . 162 SER B0 O 0 -21.929245 6.3524647 13.870664 1 2933 1 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 0 -22.73102 7.02759 10.9342 1 2934 1 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 0 -21.71759 7.9200993 10.501166 1 2935 1 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 0 -20.014591 6.0978613 12.699978 1 2936 1 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 0 -19.147373 6.3488636 13.8442545 1 2937 1 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 0 -18.232662 7.53306 13.547253 1 2938 1 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 0 -17.694046 7.6524363 12.446582 1 2939 1 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 0 -18.300835 5.107973 14.186739 1 2940 1 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 0 -17.51941 5.325417 15.472326 1 2941 1 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 0 -19.186865 3.877049 14.311719 1 2942 1 +ATOM N N . THR B0 2 164 . 164 THR B0 N 0 -18.04682 8.384496 14.543946 1 2943 1 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 0 -17.142088 9.517038 14.3862915 1 2944 1 +ATOM C C . THR B0 2 164 . 164 THR B0 C 0 -15.692875 9.05598 14.443024 1 2945 1 +ATOM O O . THR B0 2 164 . 164 THR B0 O 0 -15.390347 7.957753 14.916923 1 2946 1 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 0 -17.362158 10.56529 15.495675 1 2947 1 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 0 -17.156586 9.943527 16.771961 1 2948 1 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 0 -18.757751 11.155137 15.438743 1 2949 1 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 0 -14.794648 9.895564 13.9479065 1 2950 1 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 0 -13.373095 9.670076 14.145176 1 2951 1 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 0 -13.056381 9.886497 15.617954 1 2952 1 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 0 -13.806511 10.561021 16.338581 1 2953 1 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 0 -12.551783 10.621349 13.276991 1 2954 1 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 0 -12.650114 10.346543 11.781467 1 2955 1 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 0 -12.0487795 9.013546 11.413128 1 2956 1 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 0 -12.776214 8.158658 10.872005 1 2957 1 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 0 -10.84141 8.813856 11.676163 1 2958 1 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 0 -11.960596 9.306973 16.061504 1 2959 1 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 0 -11.574982 9.440941 17.458122 1 2960 1 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 0 -11.443216 10.912809 17.82742 1 2961 1 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 0 -10.787542 11.688484 17.131062 1 2962 1 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 0 -10.266595 8.694023 17.70824 1 2963 1 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 0 -9.974442 8.462159 19.177921 1 2964 1 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 0 -8.812406 7.514121 19.391233 1 2965 1 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 0 -7.9049706 7.4306226 18.562107 1 2966 1 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 0 -8.82986 6.7916994 20.504536 1 2967 1 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 0 -12.080383 11.307847 18.926966 1 2968 1 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 0 -12.088793 12.704899 19.354275 1 2969 1 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 0 -10.673816 13.182905 19.67235 1 2970 1 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 0 -9.900121 12.474752 20.320951 1 2971 1 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 0 -12.994481 12.871823 20.573675 1 2972 1 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 0 -13.195377 14.32333 20.958912 1 2973 1 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 0 -12.461435 14.818065 21.838182 1 2974 1 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 0 -14.092925 14.965356 20.38321 1 2975 1 +ATOM N N . SER B0 2 168 . 168 SER B0 N 0 -10.336065 14.3691025 19.20108 1 2976 1 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 0 -9.0028105 14.914178 19.380615 1 2977 1 +ATOM C C . SER B0 2 168 . 168 SER B0 C 0 -8.716135 15.337059 20.817644 1 2978 1 +ATOM O O . SER B0 2 168 . 168 SER B0 O 0 -7.552081 15.512628 21.18221 1 2979 1 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 0 -8.787572 16.104725 18.44431 1 2980 1 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 0 -9.693635 17.152039 18.73791 1 2981 1 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 0 -9.749538 15.510763 21.637142 1 2982 1 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 0 -9.568226 15.959963 23.011185 1 2983 1 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 0 -9.591795 14.816792 24.010437 1 2984 1 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 0 -8.660885 14.672527 24.80682 1 2985 1 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 0 -10.630428 17.001228 23.38018 1 2986 1 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 0 -10.503614 18.32065 22.640186 1 2987 1 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 0 -11.553245 19.318466 23.110847 1 2988 1 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 0 -11.4135685 20.6463 22.379013 1 2989 1 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 0 -12.4382105 21.617744 22.841347 1 2990 1 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 0 -10.660305 13.997259 23.982746 1 2991 1 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 0 -10.781252 12.929237 24.972391 1 2992 1 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 0 -10.588604 11.532986 24.393677 1 2993 1 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 0 -10.706369 10.548075 25.127998 1 2994 1 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 0 -12.119408 13.023304 25.711294 1 2995 1 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 0 -13.329054 12.796407 24.819824 1 2996 1 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 0 -13.154625 12.353003 23.670752 1 2997 1 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 0 -14.461534 13.063093 25.282549 1 2998 1 +ATOM N N . SER B0 2 171 . 171 SER B0 N 0 -10.27394 11.427544 23.111 1 2999 1 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 0 -9.9621315 10.168769 22.433338 1 3000 1 +ATOM C C . SER B0 2 171 . 171 SER B0 C 0 -11.112603 9.161064 22.452324 1 3001 1 +ATOM O O . SER B0 2 171 . 171 SER B0 O 0 -10.882536 7.953287 22.319992 1 3002 1 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 0 -8.702843 9.52942 23.031643 1 3003 1 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 0 -7.6025314 10.418915 22.974396 1 3004 1 +ATOM N N . THR B0 2 172 . 172 THR B0 N 0 -12.34552 9.6300125 22.59342 1 3005 1 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 0 -13.508369 8.749375 22.582031 1 3006 1 +ATOM C C . THR B0 2 172 . 172 THR B0 C 0 -14.151684 8.716522 21.19727 1 3007 1 +ATOM O O . THR B0 2 172 . 172 THR B0 O 0 -13.80363 9.4958935 20.30875 1 3008 1 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 0 -14.573568 9.186432 23.610935 1 3009 1 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 0 -15.048699 10.49047 23.267845 1 3010 1 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 0 -14.0177145 9.178887 25.025455 1 3011 1 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 0 -15.0931015 7.7823896 21.046007 1 3012 1 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 0 -15.898607 7.661503 19.838396 1 3013 1 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 0 -17.360096 7.9328837 20.172052 1 3014 1 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 0 -17.781322 7.8080025 21.321747 1 3015 1 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 0 -15.775163 6.2578793 19.233618 1 3016 1 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 0 -14.376627 5.868124 18.832945 1 3017 1 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 0 -13.537405 5.207431 19.721409 1 3018 1 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 0 -13.896019 6.1546707 17.566788 1 3019 1 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 0 -12.252747 4.847227 19.35316 1 3020 1 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 0 -12.613234 5.7957234 17.191132 1 3021 1 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 0 -11.797413 5.1399865 18.09326 1 3022 1 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 0 -10.531902 4.7842507 17.732338 1 3023 1 +ATOM N N . SER B0 2 174 . 174 SER B0 N 0 -18.105011 8.279768 19.153543 1 3024 1 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 0 -19.558079 8.362091 19.262062 1 3025 1 +ATOM C C . SER B0 2 174 . 174 SER B0 C 0 -20.159824 7.634698 18.069038 1 3026 1 +ATOM O O . SER B0 2 174 . 174 SER B0 O 0 -19.566921 7.60468 16.985949 1 3027 1 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 0 -20.038944 9.811433 19.316452 1 3028 1 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 0 -19.624779 10.444969 20.520355 1 3029 1 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 0 -21.325314 7.027749 18.291441 1 3030 1 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 0 -21.94569 6.2126155 17.25365 1 3031 1 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 0 -23.427265 6.533799 17.149147 1 3032 1 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 0 -24.09755 6.7380857 18.172054 1 3033 1 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 0 -21.74974 4.7250204 17.577248 1 3034 1 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 0 -22.31026 3.670424 16.62967 1 3035 1 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 0 -21.466375 2.4012678 16.697042 1 3036 1 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 0 -23.773283 3.3460443 16.929989 1 3037 1 +ATOM N N . SER B0 2 176 . 176 SER B0 N 0 -23.909359 6.5768023 15.917725 1 3038 1 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 0 -25.323742 6.768002 15.654199 1 3039 1 +ATOM C C . SER B0 2 176 . 176 SER B0 C 0 -25.849976 5.5603905 14.892029 1 3040 1 +ATOM O O . SER B0 2 176 . 176 SER B0 O 0 -25.238144 5.123953 13.909494 1 3041 1 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 0 -25.556942 8.040137 14.839254 1 3042 1 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 0 -26.897835 8.1542425 14.444928 1 3043 1 +ATOM N N . SER B0 2 177 . 177 SER B0 N 0 -26.956207 4.9925036 15.360821 1 3044 1 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 0 -27.621752 3.8950505 14.662407 1 3045 1 +ATOM C C . SER B0 2 177 . 177 SER B0 C 0 -29.034561 4.3555403 14.315139 1 3046 1 +ATOM O O . SER B0 2 177 . 177 SER B0 O 0 -29.777948 4.7921343 15.199396 1 3047 1 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 0 -27.666412 2.6363976 15.523964 1 3048 1 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 0 -28.31388 1.5703068 14.836779 1 3049 1 +ATOM N N . THR B0 2 178 . 178 THR B0 N 0 -29.382462 4.2425327 13.038706 1 3050 1 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 0 -30.69133 4.695891 12.590898 1 3051 1 +ATOM C C . THR B0 2 178 . 178 THR B0 C 0 -31.510397 3.5104809 12.0883465 1 3052 1 +ATOM O O . THR B0 2 178 . 178 THR B0 O 0 -31.114285 2.829289 11.144701 1 3053 1 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 0 -30.57488 5.7498503 11.478399 1 3054 1 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 0 -29.816902 6.864282 11.963856 1 3055 1 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 0 -31.958487 6.2398896 11.053162 1 3056 1 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 0 -32.645096 3.2820892 12.739391 1 3057 1 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 0 -33.596764 2.2556415 12.32032 1 3058 1 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 0 -34.627266 2.9197607 11.414278 1 3059 1 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 0 -35.231773 3.925469 11.796495 1 3060 1 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 0 -34.292522 1.6453795 13.5392685 1 3061 1 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 0 -35.395695 0.60729605 13.268198 1 3062 1 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 0 -36.23187 0.37978998 14.533632 1 3063 1 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 0 -34.792862 -0.6925078 12.775929 1 3064 1 +ATOM N N . THR B0 2 180 . 180 THR B0 N 0 -34.80976 2.3652577 10.2122345 1 3065 1 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 0 -35.7397 2.9655406 9.259161 1 3066 1 +ATOM C C . THR B0 2 180 . 180 THR B0 C 0 -36.90043 2.0166712 8.972091 1 3067 1 +ATOM O O . THR B0 2 180 . 180 THR B0 O 0 -36.697365 0.8601726 8.61385 1 3068 1 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 0 -35.031414 3.331586 7.9471593 1 3069 1 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 0 -33.965855 4.241843 8.225002 1 3070 1 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 0 -36.0039 3.979296 6.966103 1 3071 1 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 0 -38.115326 2.5179596 9.141272 1 3072 1 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 0 -39.34228 1.7746478 8.873133 1 3073 1 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 0 -40.28701 2.6445074 8.05905 1 3074 1 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 0 -40.182392 3.873872 8.079493 1 3075 1 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 0 -40.048958 1.3840687 10.173623 1 3076 1 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 0 -39.26899 0.5980755 11.221631 1 3077 1 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 0 -40.073185 0.52929205 12.513735 1 3078 1 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 0 -38.94262 -0.78812134 10.702789 1 3079 1 +ATOM N N . SER B0 2 182 . 182 SER B0 N 0 -41.21127 1.9901497 7.353694 1 3080 1 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 0 -42.27803 2.7546012 6.731513 1 3081 1 +ATOM C C . SER B0 2 182 . 182 SER B0 C 0 -43.191048 3.2800567 7.832502 1 3082 1 +ATOM O O . SER B0 2 182 . 182 SER B0 O 0 -43.23462 2.7233853 8.938176 1 3083 1 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 0 -43.07366 1.8838242 5.752947 1 3084 1 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 0 -43.798546 0.8891978 6.458062 1 3085 1 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 0 -43.917896 4.337915 7.539951 1 3086 1 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 0 -44.84151 4.872325 8.536312 1 3087 1 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 0 -45.85817 3.8185802 8.950621 1 3088 1 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 0 -46.184387 3.6770248 10.132279 1 3089 1 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 0 -45.568443 6.1102667 7.9936333 1 3090 1 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 0 -46.61109 6.678644 8.945864 1 3091 1 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 0 -47.347916 7.8567686 8.312843 1 3092 1 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 0 -48.424446 8.393251 9.251202 1 3093 1 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 0 -49.156002 9.534932 8.657663 1 3094 1 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 0 -46.336517 3.043233 7.9619083 1 3095 1 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 0 -47.32318 1.9993001 8.236715 1 3096 1 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 0 -46.77603 0.9543483 9.196379 1 3097 1 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 0 -47.45628 0.5669263 10.150471 1 3098 1 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 0 -47.77509 1.3478119 6.9329467 1 3099 1 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 0 -45.54213 0.50150067 8.943798 1 3100 1 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 0 -44.932865 -0.49244264 9.828986 1 3101 1 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 0 -44.652958 0.09682629 11.203403 1 3102 1 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 0 -44.81161 -0.5914863 12.20919 1 3103 1 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 0 -43.633698 -1.0334799 9.219597 1 3104 1 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 0 -43.88875 -2.0387106 8.111771 1 3105 1 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 0 -45.021492 -2.5744898 8.034384 1 3106 1 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 0 -42.95488 -2.2906835 7.3158083 1 3107 1 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 0 -44.216652 1.3429093 11.230593 1 3108 1 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 0 -43.924335 1.9925251 12.509274 1 3109 1 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 0 -45.166103 2.0682635 13.392101 1 3110 1 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 0 -45.09317 1.8432974 14.604032 1 3111 1 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 0 -43.366364 3.3982759 12.265045 1 3112 1 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 0 -43.155125 4.192693 13.537848 1 3113 1 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 0 -43.966797 5.284806 13.840392 1 3114 1 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 0 -42.133797 3.861279 14.426793 1 3115 1 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 0 -43.769478 6.0154276 14.993057 1 3116 1 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 0 -41.936226 4.588463 15.586156 1 3117 1 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 0 -42.752945 5.6633453 15.867901 1 3118 1 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 0 -42.561356 6.390853 17.016909 1 3119 1 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 0 -46.3154 2.3450656 12.774017 1 3120 1 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 0 -47.55336 2.5003834 13.52553 1 3121 1 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 0 -48.21473 1.1641092 13.88118 1 3122 1 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 0 -49.233017 1.1522875 14.572212 1 3123 1 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 0 -48.530556 3.3897643 12.74988 1 3124 1 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 0 -48.025234 4.826271 12.645012 1 3125 1 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 0 -49.00154 5.768755 11.97341 1 3126 1 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 0 -48.8435 6.9989653 12.134478 1 3127 1 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 0 -49.92272 5.2863283 11.277387 1 3128 1 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 0 -47.64165 0.055820808 13.4168625 1 3129 1 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 0 -48.1471 -1.2679265 13.773513 1 3130 1 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 0 -47.59475 -1.7588564 15.100914 1 3131 1 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 0 -48.082287 -2.7581892 15.642185 1 3132 1 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 0 -47.80271 -2.2856164 12.681025 1 3133 1 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 0 -48.568764 -2.0997486 11.391323 1 3134 1 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 0 -48.13726 -3.1541224 10.373761 1 3135 1 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 0 -48.867847 -2.9500217 9.061571 1 3136 1 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 0 -48.420418 -3.9228883 8.041236 1 3137 1 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 0 -46.5751 -1.0997486 15.603697 1 3138 1 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 0 -45.902588 -1.5644919 16.812513 1 3139 1 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 0 -45.840614 -0.47078776 17.858238 1 3140 1 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 0 -46.034405 0.71305776 17.56245 1 3141 1 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 0 -44.491844 -2.0644832 16.472172 1 3142 1 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 0 -44.49917 -3.1051393 15.407036 1 3143 1 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 0 -44.783516 -4.4341273 15.668974 1 3144 1 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 0 -44.27652 -3.0227766 14.074493 1 3145 1 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 0 -44.739796 -5.11064 14.5327425 1 3146 1 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 0 -44.426353 -4.281587 13.553711 1 3147 1 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 0 -45.527565 -0.8648337 19.085308 1 3148 1 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 0 -45.56424 0.0596153 20.207127 1 3149 1 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 0 -44.192078 0.33354068 20.828262 1 3150 1 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 0 -43.786224 1.4944744 20.94114 1 3151 1 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 0 -46.513718 -0.45623887 21.287136 1 3152 1 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 0 -46.629753 0.46482342 22.502361 1 3153 1 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 0 -47.623596 -0.101879254 23.511225 1 3154 1 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 0 -47.721188 0.80276525 24.745811 1 3155 1 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 0 -48.66062 0.25256252 25.743923 1 3156 1 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 0 -43.46496 -0.72311467 21.211765 1 3157 1 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 0 -42.216232 -0.55659413 21.946735 1 3158 1 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 0 -41.017654 -0.59426194 20.999147 1 3159 1 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 0 -40.810867 -1.5817754 20.279224 1 3160 1 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 0 -42.063183 -1.6346111 23.039484 1 3161 1 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 0 -40.79348 -1.3990254 23.844345 1 3162 1 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 0 -43.283325 -1.6407024 23.957775 1 3163 1 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 0 -40.232395 0.4668312 21.028812 1 3164 1 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 0 -39.014732 0.561401 20.236439 1 3165 1 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 0 -37.830025 0.6586921 21.184788 1 3166 1 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 0 -37.77558 1.5632946 22.02401 1 3167 1 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 0 -39.07551 1.7676452 19.290628 1 3168 1 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 0 -40.08267 1.5556357 18.189217 1 3169 1 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 0 -41.42652 1.8181598 18.403156 1 3170 1 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 0 -39.694168 1.0419846 16.962086 1 3171 1 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 0 -42.366135 1.5818679 17.408344 1 3172 1 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 0 -40.626625 0.809257 15.963381 1 3173 1 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 0 -41.9588 1.0771477 16.195671 1 3174 1 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 0 -42.87941 0.83207333 15.217579 1 3175 1 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 0 -36.90042 -0.28311604 21.042418 1 3176 1 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 0 -35.791126 -0.36659068 21.979614 1 3177 1 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 0 -34.45334 -0.51541364 21.26658 1 3178 1 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 0 -34.35045 -1.1879458 20.241116 1 3179 1 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 0 -35.998367 -1.5274818 22.946945 1 3180 1 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 0 -33.44331 0.1558914 21.816795 1 3181 1 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 0 -32.066795 0.066143334 21.35483 1 3182 1 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 0 -31.2575 -0.54540336 22.488308 1 3183 1 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 0 -31.174328 0.02978735 23.5802 1 3184 1 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 0 -31.539865 1.4522051 21.002987 1 3185 1 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 0 -29.805525 1.5236665 20.592016 1 3186 1 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 0 -30.660559 -1.7470726 22.26044 1 3187 1 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 0 -29.872295 -2.431047 23.279266 1 3188 1 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 0 -28.39201 -2.3127513 22.942783 1 3189 1 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 0 -27.9642 -2.6703193 21.837124 1 3190 1 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 0 -30.275831 -3.9041739 23.375006 1 3191 1 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 0 -29.577824 -4.655962 24.496258 1 3192 1 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 0 -29.978394 -6.1192865 24.547237 1 3193 1 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 0 -30.802692 -6.4909716 25.404686 1 3194 1 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 0 -29.466728 -6.884039 23.700632 1 3195 1 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 0 -27.619823 -1.8230232 23.89008 1 3196 1 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 0 -26.210964 -1.5444851 23.671192 1 3197 1 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 0 -25.342852 -2.4383821 24.54246 1 3198 1 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 0 -25.556927 -2.534078 25.757408 1 3199 1 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 0 -25.890148 -0.06321077 23.95359 1 3200 1 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 0 -24.389503 0.19007836 23.836502 1 3201 1 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 0 -26.66601 0.8363286 23.000004 1 3202 1 +ATOM N N . THR B0 2 197 . 197 THR B0 N 0 -24.353561 -3.0789056 23.896603 1 3203 1 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 0 -23.36602 -3.87836 24.598877 1 3204 1 +ATOM C C . THR B0 2 197 . 197 THR B0 C 0 -21.995417 -3.243775 24.370014 1 3205 1 +ATOM O O . THR B0 2 197 . 197 THR B0 O 0 -21.625744 -2.9487953 23.235939 1 3206 1 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 0 -23.364517 -5.330293 24.10584 1 3207 1 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 0 -24.67403 -5.8872285 24.270123 1 3208 1 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 0 -22.35801 -6.17496 24.85897 1 3209 1 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 0 -21.253946 -3.043274 25.445713 1 3210 1 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 0 -19.944218 -2.4055705 25.37149 1 3211 1 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 0 -19.09499 -2.8393102 26.55917 1 3212 1 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 0 -19.630085 -3.1462517 27.630455 1 3213 1 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 0 -20.077568 -0.87778234 25.346394 1 3214 1 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 0 -18.78887 -0.16414495 25.146574 1 3215 1 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 0 -18.04734 0.34720808 26.195795 1 3216 1 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 0 -18.105476 0.13589802 24.020407 1 3217 1 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 0 -16.96126 0.9186076 25.711075 1 3218 1 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 0 -16.966698 0.81141084 24.40103 1 3219 1 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 0 -17.787277 -2.8689976 26.365608 1 3220 1 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 0 -16.859207 -3.30902 27.399384 1 3221 1 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 0 -17.013866 -2.506554 28.694439 1 3222 1 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 0 -16.810162 -3.0326347 29.790134 1 3223 1 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 0 -15.424422 -3.2060761 26.88187 1 3224 1 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 0 -14.373932 -3.654745 27.890987 1 3225 1 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 0 -12.9603 -3.486299 27.358074 1 3226 1 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 0 -12.759968 -3.3461642 26.148037 1 3227 1 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 0 -11.976303 -3.505217 28.250404 1 3228 1 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 0 -17.359694 -1.2406739 28.56303 1 3229 1 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 0 -17.51345 -0.37627554 29.721628 1 3230 1 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 0 -18.814363 -0.557961 30.476189 1 3231 1 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 0 -19.021824 0.075533584 31.513245 1 3232 1 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 0 -19.69633 -1.4330251 29.974957 1 3233 1 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 0 -20.975048 -1.7018771 30.61551 1 3234 1 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 0 -20.954014 -3.0912 31.24073 1 3235 1 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 0 -20.590164 -4.062752 30.575905 1 3236 1 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 0 -22.118141 -1.6086798 29.600292 1 3237 1 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 0 -22.30479 -0.26048106 28.896126 1 3238 1 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 0 -23.308819 -0.4017701 27.755314 1 3239 1 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 0 -22.750458 0.8071544 29.879265 1 3240 1 +ATOM N N . SER B0 2 202 . 202 SER B0 N 0 -21.338697 -3.1917007 32.4974 1 3241 1 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 0 -21.353218 -4.4830523 33.179962 1 3242 1 +ATOM C C . SER B0 2 202 . 202 SER B0 C 0 -22.411541 -5.4085064 32.59926 1 3243 1 +ATOM O O . SER B0 2 202 . 202 SER B0 O 0 -22.265484 -6.635092 32.669525 1 3244 1 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 0 -21.597885 -4.288227 34.67536 1 3245 1 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 0 -22.824966 -3.6324143 34.920616 1 3246 1 +ATOM N N . SER B0 2 203 . 203 SER B0 N 0 -23.458975 -4.8417435 32.041756 1 3247 1 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 0 -24.507576 -5.5930448 31.367619 1 3248 1 +ATOM C C . SER B0 2 203 . 203 SER B0 C 0 -25.106537 -4.7168193 30.279217 1 3249 1 +ATOM O O . SER B0 2 203 . 203 SER B0 O 0 -24.961918 -3.490676 30.315636 1 3250 1 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 0 -25.594116 -6.037749 32.354053 1 3251 1 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 0 -26.216988 -4.922269 32.96644 1 3252 1 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 0 -25.739746 -5.3236694 29.272722 1 3253 1 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 0 -26.320549 -4.516471 28.198786 1 3254 1 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 0 -27.286026 -3.4648514 28.725187 1 3255 1 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 0 -28.043404 -3.717937 29.661268 1 3256 1 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 0 -27.030422 -5.5523243 27.326538 1 3257 1 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 0 -26.285831 -6.820923 27.568233 1 3258 1 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 0 -25.900349 -6.7614303 29.01921 1 3259 1 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 0 -27.225803 -2.2832131 28.115788 1 3260 1 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 0 -28.109344 -1.1799831 28.472488 1 3261 1 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 0 -29.1566 -1.0250323 27.382393 1 3262 1 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 0 -28.823532 -1.0332425 26.192196 1 3263 1 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 0 -27.330585 0.13700226 28.653627 1 3264 1 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 0 -28.284382 1.3228719 28.75531 1 3265 1 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 0 -26.445831 0.05640163 29.888512 1 3266 1 +ATOM N N . THR B0 2 206 . 206 THR B0 N 0 -30.411583 -0.89386773 27.795881 1 3267 1 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 0 -31.502827 -0.7263982 26.844376 1 3268 1 +ATOM C C . THR B0 2 206 . 206 THR B0 C 0 -32.20053 0.61043453 27.0664 1 3269 1 +ATOM O O . THR B0 2 206 . 206 THR B0 O 0 -32.565536 0.9491997 28.19059 1 3270 1 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 0 -32.529232 -1.8615918 26.965408 1 3271 1 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 0 -31.901257 -3.1068773 26.660175 1 3272 1 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 0 -33.696705 -1.6481097 26.003212 1 3273 1 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 0 -32.346123 1.3592924 25.982933 1 3274 1 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 0 -33.142216 2.5870163 25.98679 1 3275 1 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 0 -34.33297 2.3461933 25.077051 1 3276 1 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 0 -34.18064 1.7949617 23.976376 1 3277 1 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 0 -32.325115 3.7838757 25.493946 1 3278 1 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 0 -31.18998 4.1770887 26.430046 1 3279 1 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 0 -31.717922 4.73469 27.74721 1 3280 1 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 0 -30.5588 5.176403 28.64606 1 3281 1 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 0 -31.040047 5.719885 29.930962 1 3282 1 +ATOM N N . SER B0 2 208 . 208 SER B0 N 0 -35.5306 2.7252393 25.530575 1 3283 1 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 0 -36.725967 2.4436042 24.74937 1 3284 1 +ATOM C C . SER B0 2 208 . 208 SER B0 C 0 -37.777264 3.5300627 24.933983 1 3285 1 +ATOM O O . SER B0 2 208 . 208 SER B0 O 0 -37.68112 4.359215 25.841423 1 3286 1 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 0 -37.32116 1.0846021 25.130613 1 3287 1 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 0 -37.769978 1.0839432 26.470875 1 3288 1 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 0 -38.769264 3.506431 24.066711 1 3289 1 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 0 -39.922142 4.398298 24.176699 1 3290 1 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 0 -41.1484 3.7006342 23.62164 1 3291 1 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 0 -41.03835 2.722379 22.872887 1 3292 1 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 0 -39.684586 5.734734 23.44117 1 3293 1 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 0 -39.606728 5.604353 21.941296 1 3294 1 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 0 -38.38183 5.4210944 21.316662 1 3295 1 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 0 -40.737415 5.6834917 21.159645 1 3296 1 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 0 -38.299187 5.3138385 19.933292 1 3297 1 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 0 -40.66079 5.5730486 19.779654 1 3298 1 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 0 -39.44491 5.390192 19.166512 1 3299 1 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 0 -42.298584 4.1833935 24.01802 1 3300 1 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 0 -43.565464 3.6930017 23.482275 1 3301 1 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 0 -44.068188 4.688307 22.450855 1 3302 1 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 0 -44.11027 5.8927712 22.709911 1 3303 1 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 0 -44.60496 3.5313592 24.594814 1 3304 1 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 0 -44.254303 2.4362597 25.578102 1 3305 1 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 0 -43.53776 1.4963078 25.237257 1 3306 1 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 0 -44.761036 2.531301 26.799067 1 3307 1 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 0 -44.434235 4.186638 21.257858 1 3308 1 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 0 -44.91668 5.0524116 20.191345 1 3309 1 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 0 -46.097275 5.88999 20.685394 1 3310 1 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 0 -47.018368 5.3714285 21.310017 1 3311 1 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 0 -45.3376 4.226499 18.963955 1 3312 1 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 0 -45.837265 5.0634503 17.800476 1 3313 1 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 0 -46.335045 4.19795 16.648699 1 3314 1 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 0 -47.310215 3.2081153 17.072163 1 3315 1 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 0 -48.584763 3.4671745 17.324766 1 3316 1 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 0 -49.4125 2.5015388 17.725168 1 3317 1 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 0 -49.043198 4.692413 17.160606 1 3318 1 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 0 -46.054268 7.1627026 20.408852 1 3319 1 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 0 -47.107983 8.076141 20.812813 1 3320 1 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 0 -46.82347 8.839939 22.087381 1 3321 1 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 0 -47.544044 9.795722 22.406786 1 3322 1 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 0 -45.8323 8.431307 22.813828 1 3323 1 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 0 -45.480293 9.110414 24.049213 1 3324 1 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 0 -44.48605 10.256421 23.782839 1 3325 1 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 0 -43.918877 10.36665 22.69812 1 3326 1 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 0 -44.856197 8.131474 25.056995 1 3327 1 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 0 -45.836254 7.076748 25.516552 1 3328 1 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 0 -45.20692 6.1281343 26.514397 1 3329 1 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 0 -45.927597 5.2879043 27.066637 1 3330 1 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 0 -43.97691 6.215063 26.750343 1 3331 1 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 0 -44.17056 11.029571 24.694649 1 3332 1 +ATOM N N . SER C0 3 1 . 1 SER C0 N 0 40.35795 15.720384 2.6446996 1 3333 1 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 0 40.639446 16.266762 3.9702632 1 3334 1 +ATOM C C . SER C0 3 1 . 1 SER C0 C 0 41.286736 15.225344 4.8629093 1 3335 1 +ATOM O O . SER C0 3 1 . 1 SER C0 O 0 42.22309 15.530209 5.604447 1 3336 1 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 0 39.360344 16.78789 4.601658 1 3337 1 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 0 38.78243 17.812202 3.8122606 1 3338 1 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 0 40.812267 13.9998455 4.797574 1 3339 1 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 0 41.375553 12.888771 5.5591574 1 3340 1 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 0 42.569054 12.3279505 4.801352 1 3341 1 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 0 42.452415 11.998444 3.612456 1 3342 1 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 0 40.30841 11.81148 5.778716 1 3343 1 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 0 40.627426 10.687975 6.752878 1 3344 1 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 0 39.485146 9.677417 6.7576165 1 3345 1 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 0 40.86645 11.220838 8.150427 1 3346 1 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 0 43.712917 12.195854 5.479421 1 3347 1 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 0 44.927055 11.714746 4.829096 1 3348 1 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 0 45.501152 10.507826 5.569627 1 3349 1 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 0 44.966904 10.071803 6.5919123 1 3350 1 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 0 45.96853 12.835676 4.7314773 1 3351 1 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 0 46.30545 13.464827 6.0639358 1 3352 1 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 0 46.12673 12.808687 7.1083336 1 3353 1 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 0 46.75792 14.61763 6.0653744 1 3354 1 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 0 46.62194 9.961924 5.042123 1 3355 1 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 0 47.231457 8.757744 5.6138873 1 3356 1 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 0 47.758324 8.988664 7.024702 1 3357 1 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 0 47.828117 8.040272 7.812428 1 3358 1 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 0 48.37243 8.271179 4.7162213 1 3359 1 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 0 47.94002 7.3095236 3.6061087 1 3360 1 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 0 47.21564 7.990151 2.4693422 1 3361 1 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 0 47.148457 9.237785 2.4347548 1 3362 1 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 0 46.690384 7.285243 1.5844815 1 3363 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 48.13539 10.219648 7.359045 1 3364 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 48.681023 10.498048 8.678415 1 3365 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 47.641243 10.302407 9.769555 1 3366 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 47.954346 9.779064 10.843974 1 3367 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 49.236443 11.928501 8.73167 1 3368 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 49.78894 12.318996 10.102716 1 3369 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 50.294456 13.754845 10.094425 1 3370 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 50.794823 14.159517 11.479403 1 3371 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 51.26805 15.564369 11.498745 1 3372 1 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 0 46.40516 10.684756 9.490612 1 3373 1 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 0 45.346493 10.608208 10.4784 1 3374 1 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 0 44.282234 9.565395 10.136618 1 3375 1 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 0 43.155064 9.638479 10.618455 1 3376 1 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 0 44.689484 11.988963 10.640232 1 3377 1 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 0 45.667603 13.047051 11.11849 1 3378 1 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 0 46.32293 12.875053 12.147102 1 3379 1 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 0 45.77819 14.153341 10.382022 1 3380 1 +ATOM N N . SER C0 3 7 . 7 SER C0 N 0 44.657753 8.570917 9.320018 1 3381 1 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 0 43.685417 7.556617 8.9207535 1 3382 1 +ATOM C C . SER C0 3 7 . 7 SER C0 C 0 44.35747 6.207229 8.700843 1 3383 1 +ATOM O O . SER C0 3 7 . 7 SER C0 O 0 45.57669 6.1152716 8.591249 1 3384 1 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 0 42.945618 7.9871807 7.6534166 1 3385 1 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 0 43.83172 8.039797 6.5565786 1 3386 1 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 0 43.541527 5.179661 8.64494 1 3387 1 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 0 43.983814 3.8245695 8.338418 1 3388 1 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 0 43.362823 3.4242544 7.002152 1 3389 1 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 0 42.156517 3.617512 6.785302 1 3390 1 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 0 43.570118 2.8387747 9.447842 1 3391 1 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 0 43.94483 1.4203339 9.056937 1 3392 1 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 0 44.21017 3.2224803 10.771163 1 3393 1 +ATOM N N . SER C0 3 9 . 9 SER C0 N 0 44.160194 2.8819327 6.107143 1 3394 1 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 0 43.68358 2.4589252 4.7972136 1 3395 1 +ATOM C C . SER C0 3 9 . 9 SER C0 C 0 43.207035 1.007232 4.862052 1 3396 1 +ATOM O O . SER C0 3 9 . 9 SER C0 O 0 43.936317 0.13165775 5.324245 1 3397 1 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 0 44.784607 2.6191497 3.7547526 1 3398 1 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 0 44.314484 2.2721431 2.4695497 1 3399 1 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 0 41.982582 0.7667093 4.4120674 1 3400 1 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 0 41.40177 -0.57367706 4.412217 1 3401 1 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 0 41.098717 -0.97765225 2.9724944 1 3402 1 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 0 40.383175 -0.26628163 2.2564507 1 3403 1 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 0 40.110443 -0.62622184 5.258462 1 3404 1 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 0 39.488895 -2.0095572 5.1980476 1 3405 1 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 0 40.39538 -0.22024795 6.702069 1 3406 1 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 0 41.645145 -2.1177292 2.5520205 1 3407 1 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 0 41.402733 -2.6249056 1.2027773 1 3408 1 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 0 40.0221 -3.2666485 1.1242003 1 3409 1 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 0 39.60088 -3.9767532 2.0390978 1 3410 1 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 0 42.479042 -3.635326 0.81072044 1 3411 1 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 0 43.83481 -2.984255 0.60913754 1 3412 1 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 0 43.87583 -1.8201984 0.15836202 1 3413 1 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 0 44.85486 -3.6425238 0.89257884 1 3414 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 39.332077 -3.0253816 0.017493881 1 3415 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 37.974644 -3.505707 -0.1797496 1 3416 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 37.873016 -4.3425055 -1.4480214 1 3417 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 38.7333 -4.2609115 -2.3270187 1 3418 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 37.0056 -2.3255057 -0.28290588 1 3419 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 36.96468 -1.3523728 0.89437705 1 3420 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 36.168335 -0.112708375 0.5086616 1 3421 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 36.383404 -2.0307636 2.1181638 1 3422 1 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 0 36.811317 -5.163285 -1.5609369 1 3423 1 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 0 36.5796 -5.8947644 -2.8042583 1 3424 1 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 0 36.4708 -4.928175 -3.9844284 1 3425 1 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 0 36.012146 -3.791522 -3.8307493 1 3426 1 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 0 35.250755 -6.615945 -2.5478728 1 3427 1 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 0 35.183826 -6.7660747 -1.0618179 1 3428 1 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 0 35.82364 -5.5210614 -0.52004856 1 3429 1 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 0 36.914566 -5.379239 -5.152961 1 3430 1 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 0 36.888344 -4.5199347 -6.3132963 1 3431 1 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 0 38.121017 -3.6469777 -6.4390216 1 3432 1 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 0 38.118202 -2.678658 -7.2013493 1 3433 1 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 0 39.165863 -4.008528 -5.692874 1 3434 1 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 0 40.426376 -3.2676926 -5.682439 1 3435 1 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 0 40.210373 -1.7906952 -5.362755 1 3436 1 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 0 40.80687 -0.9067651 -5.9638357 1 3437 1 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 0 41.14457 -3.4292185 -7.022565 1 3438 1 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 0 41.502846 -4.8777075 -7.3176084 1 3439 1 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 0 42.28439 -5.0506887 -8.603863 1 3440 1 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 0 42.407158 -6.1983643 -9.076214 1 3441 1 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 0 42.78051 -4.047054 -9.157385 1 3442 1 +ATOM N N . MET C0 3 16 . 16 MET C0 N 0 39.314625 -1.5499647 -4.4210305 1 3443 1 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 0 39.082302 -0.21417964 -3.8951323 1 3444 1 +ATOM C C . MET C0 3 16 . 16 MET C0 C 0 39.667557 -0.14387476 -2.493445 1 3445 1 +ATOM O O . MET C0 3 16 . 16 MET C0 O 0 40.0251 -1.1616616 -1.8952614 1 3446 1 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 0 37.578354 0.10465352 -3.8567133 1 3447 1 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 0 36.9362 0.26696512 -5.2228513 1 3448 1 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 0 35.184196 0.7121216 -5.1236963 1 3449 1 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 0 34.49492 -0.8519655 -4.5846806 1 3450 1 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 0 39.754196 1.048542 -1.9510193 1 3451 1 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 0 40.21721 1.2176019 -0.5846486 1 3452 1 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 0 39.444916 2.3573344 0.065449916 1 3453 1 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 0 38.977325 3.2753656 -0.61364836 1 3454 1 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 0 41.72782 1.504067 -0.51629305 1 3455 1 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 0 42.133385 2.854594 -1.0315945 1 3456 1 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 0 43.63079 3.1288729 -0.78774756 1 3457 1 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 0 44.512085 2.107736 -1.4790665 1 3458 1 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 0 45.94547 2.4173355 -1.3006246 1 3459 1 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 0 39.307114 2.2694607 1.3700373 1 3460 1 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 0 38.633247 3.3236585 2.1201463 1 3461 1 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 0 39.57683 3.799041 3.2254548 1 3462 1 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 0 40.28365 2.9963799 3.8449228 1 3463 1 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 0 37.285736 2.8344877 2.7230568 1 3464 1 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 0 36.564896 3.9886682 3.4340243 1 3465 1 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 0 37.50096 1.6761801 3.6812744 1 3466 1 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 0 39.62279 5.099154 3.4508114 1 3467 1 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 0 40.39579 5.6629276 4.5447464 1 3468 1 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 0 39.46888 5.862832 5.7418103 1 3469 1 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 0 38.40702 6.483012 5.609153 1 3470 1 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 0 41.017628 7.004785 4.132735 1 3471 1 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 0 41.992355 6.9766407 2.959001 1 3472 1 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 0 42.507088 8.389264 2.6822512 1 3473 1 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 0 43.149345 6.029491 3.2343273 1 3474 1 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 0 39.88408 5.327548 6.890101 1 3475 1 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 0 39.10525 5.4335732 8.122183 1 3476 1 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 0 39.877903 6.309268 9.109058 1 3477 1 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 0 41.058014 6.060276 9.368373 1 3478 1 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 0 38.83499 4.049211 8.744508 1 3479 1 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 0 37.913673 4.1791134 9.952656 1 3480 1 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 0 38.25266 3.098651 7.706271 1 3481 1 +ATOM N N . SER C0 3 21 . 21 SER C0 N 0 39.20589 7.3123865 9.6528225 1 3482 1 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 0 39.864407 8.198431 10.606642 1 3483 1 +ATOM C C . SER C0 3 21 . 21 SER C0 C 0 40.29686 7.410569 11.847303 1 3484 1 +ATOM O O . SER C0 3 21 . 21 SER C0 O 0 39.59502 6.5074267 12.303059 1 3485 1 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 0 38.928226 9.352259 11.005318 1 3486 1 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 0 37.782547 8.867449 11.6886215 1 3487 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 41.468575 7.7590275 12.371128 1 3488 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 41.98494 7.0854535 13.566004 1 3489 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 41.20421 7.4621387 14.823593 1 3490 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 41.144344 6.6810236 15.777409 1 3491 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 43.469776 7.419535 13.754223 1 3492 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 44.359 6.8249464 12.667165 1 3493 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 45.826096 7.1924057 12.907841 1 3494 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 46.711617 6.588809 11.826382 1 3495 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 48.12972 6.9655437 12.015242 1 3496 1 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 0 40.608067 8.667244 14.825398 1 3497 1 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 0 39.84776 9.117106 15.978763 1 3498 1 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 0 38.434326 9.48613 15.553747 1 3499 1 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 0 38.179955 9.82593 14.397018 1 3500 1 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 0 40.53058 10.310989 16.65941 1 3501 1 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 0 40.713543 11.51763 15.76227 1 3502 1 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 0 41.47871 12.63485 16.443325 1 3503 1 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 0 41.988335 12.425854 17.57344 1 3504 1 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 0 41.579014 13.730988 15.874567 1 3505 1 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 0 37.51066 9.436024 16.50661 1 3506 1 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 0 36.11076 9.769365 16.25457 1 3507 1 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 0 35.939056 11.273766 16.061646 1 3508 1 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 0 36.717865 12.077246 16.592978 1 3509 1 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 0 35.22354 9.289036 17.410946 1 3510 1 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 0 35.19229 7.777004 17.580267 1 3511 1 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 0 34.33053 7.391038 18.778551 1 3512 1 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 0 34.294186 5.8821287 18.95644 1 3513 1 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 0 33.49322 5.4913154 20.135406 1 3514 1 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 0 34.894684 11.637011 15.300209 1 3515 1 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 0 34.593674 13.052926 15.11072 1 3516 1 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 0 33.73294 13.554066 16.267136 1 3517 1 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 0 33.515133 12.8326845 17.243557 1 3518 1 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 0 33.9013 13.288209 13.759426 1 3519 1 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 0 32.59665 12.537678 13.61936 1 3520 1 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 0 31.924576 12.228358 14.607164 1 3521 1 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 0 32.21036 12.245457 12.386511 1 3522 1 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 0 33.273766 14.788921 16.188599 1 3523 1 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 0 32.49539 15.379051 17.270237 1 3524 1 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 0 31.16357 14.675797 17.502499 1 3525 1 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 0 30.542595 14.862952 18.555243 1 3526 1 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 0 32.246376 16.864794 16.984434 1 3527 1 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 0 31.494919 17.119846 15.6874485 1 3528 1 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 0 31.357313 18.615723 15.419948 1 3529 1 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 0 30.657055 18.880268 14.103922 1 3530 1 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 0 30.54609 20.327957 13.844533 1 3531 1 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 0 30.708942 13.864333 16.537354 1 3532 1 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 0 29.471725 13.100455 16.681915 1 3533 1 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 0 29.714249 11.681997 17.193588 1 3534 1 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 0 28.783146 10.878506 17.261593 1 3535 1 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 0 28.723143 13.04155 15.350832 1 3536 1 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 0 28.276592 14.403153 14.867153 1 3537 1 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 0 27.838581 15.216372 15.710461 1 3538 1 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 0 28.366636 14.66564 13.648443 1 3539 1 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 0 30.951145 11.379547 17.56482 1 3540 1 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 0 31.286556 10.057478 18.076944 1 3541 1 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 0 31.334452 8.980503 17.011147 1 3542 1 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 0 31.136984 7.800726 17.318594 1 3543 1 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 0 31.595228 9.360798 15.765137 1 3544 1 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 0 31.670847 8.402494 14.663687 1 3545 1 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 0 33.00022 8.546779 13.931936 1 3546 1 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 0 33.671654 9.578775 14.028381 1 3547 1 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 0 30.505005 8.606294 13.692192 1 3548 1 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 0 29.135292 8.323713 14.304509 1 3549 1 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 0 28.03306 8.457409 13.267446 1 3550 1 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 0 26.67472 8.115169 13.86627 1 3551 1 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 0 25.596157 8.208075 12.864483 1 3552 1 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 0 33.354984 7.5011506 13.19206 1 3553 1 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 0 34.57554 7.519715 12.404907 1 3554 1 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 0 34.29555 8.058817 11.0058365 1 3555 1 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 0 33.271927 7.7334666 10.40135 1 3556 1 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 0 35.183506 6.11985 12.315243 1 3557 1 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 0 35.655006 5.5769014 13.6415615 1 3558 1 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 0 34.825912 4.7879677 14.424946 1 3559 1 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 0 36.931 5.867399 14.105358 1 3560 1 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 0 35.25516 4.3040223 15.649508 1 3561 1 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 0 37.3599 5.3851223 15.334303 1 3562 1 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 0 36.517822 4.599941 16.09778 1 3563 1 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 0 36.946213 4.126274 17.315113 1 3564 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 35.196945 8.878834 10.517683 1 3565 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 35.064384 9.43432 9.17492 1 3566 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 35.591736 8.445831 8.141589 1 3567 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 36.625015 7.806012 8.352927 1 3568 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 35.82291 10.760687 9.059666 1 3569 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 35.213837 11.8588505 9.905095 1 3570 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 33.972595 11.9168 9.9950485 1 3571 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 35.97969 12.655425 10.475572 1 3572 1 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 0 34.886024 8.316497 7.0357046 1 3573 1 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 0 35.27468 7.4363027 5.940566 1 3574 1 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 0 35.448097 8.261592 4.6697516 1 3575 1 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 0 34.62391 9.126557 4.371978 1 3576 1 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 0 34.211647 6.361663 5.6960325 1 3577 1 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 0 33.761192 5.5023785 6.8835206 1 3578 1 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 0 32.64834 4.5594883 6.4389753 1 3579 1 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 0 34.921837 4.733144 7.4777265 1 3580 1 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 0 36.50566 7.9726906 3.9250407 1 3581 1 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 0 36.74239 8.63237 2.64747 1 3582 1 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 0 37.23864 7.5947075 1.6452683 1 3583 1 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 0 38.10045 6.7799187 1.9634478 1 3584 1 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 0 37.75837 9.784442 2.7634435 1 3585 1 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 0 37.191 10.910428 3.6363795 1 3586 1 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 0 38.118454 10.326239 1.3725742 1 3587 1 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 0 38.13126 12.109694 3.7692761 1 3588 1 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 0 36.66844 7.6138883 0.46099976 1 3589 1 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 0 37.09789 6.723266 -0.6139685 1 3590 1 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 0 37.04599 7.4895062 -1.93172 1 3591 1 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 0 36.208252 8.375136 -2.1110551 1 3592 1 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 0 36.221382 5.4798293 -0.6819903 1 3593 1 +ATOM N N . THR C0 3 35 . 35 THR C0 N 0 37.94748 7.14877 -2.833014 1 3594 1 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 0 37.955513 7.757815 -4.156946 1 3595 1 +ATOM C C . THR C0 3 35 . 35 THR C0 C 0 37.556328 6.7043614 -5.1823025 1 3596 1 +ATOM O O . THR C0 3 35 . 35 THR C0 O 0 38.225952 5.6808586 -5.3232365 1 3597 1 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 0 39.33277 8.337828 -4.4993696 1 3598 1 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 0 39.688824 9.32645 -3.5293868 1 3599 1 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 0 39.32952 8.970297 -5.88484 1 3600 1 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 0 36.45613 6.9362764 -5.8617973 1 3601 1 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 0 35.93172 6.0119886 -6.8578715 1 3602 1 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 0 35.628654 6.807034 -8.129635 1 3603 1 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 0 34.924057 7.816485 -8.084366 1 3604 1 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 0 34.656754 5.302354 -6.3636456 1 3605 1 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 0 34.10611 4.3896074 -7.4502683 1 3606 1 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 0 34.942673 4.506998 -5.094881 1 3607 1 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 0 36.1913 6.3487816 -9.2463045 1 3608 1 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 0 35.968216 7.0049534 -10.530611 1 3609 1 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 0 36.318085 8.494272 -10.444627 1 3610 1 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 0 35.56994 9.360075 -10.915179 1 3611 1 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 0 34.5219 6.811149 -10.986171 1 3612 1 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 0 34.30092 7.1844893 -12.435472 1 3613 1 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 0 35.273384 7.1139126 -13.219095 1 3614 1 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 0 33.15763 7.548936 -12.792095 1 3615 1 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 0 37.449562 8.782995 -9.8227005 1 3616 1 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 0 37.97712 10.132661 -9.670534 1 3617 1 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 0 37.08516 11.045617 -8.831629 1 3618 1 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 0 37.232132 12.266684 -8.880476 1 3619 1 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 0 38.228714 10.773255 -11.051759 1 3620 1 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 0 39.1875 9.987316 -11.926024 1 3621 1 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 0 39.378326 10.671032 -13.274358 1 3622 1 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 0 40.304905 9.8570175 -14.168362 1 3623 1 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 0 40.470192 10.495237 -15.49133 1 3624 1 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 0 36.184265 10.461814 -8.075821 1 3625 1 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 0 35.30063 11.229151 -7.206002 1 3626 1 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 0 35.54524 10.833729 -5.7520704 1 3627 1 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 0 35.58239 9.642471 -5.4305897 1 3628 1 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 0 33.83534 10.986893 -7.5718975 1 3629 1 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 0 32.797256 11.707052 -6.702883 1 3630 1 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 0 31.40356 11.164673 -6.980927 1 3631 1 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 0 32.846916 13.20913 -6.949485 1 3632 1 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 0 35.723713 11.831211 -4.896111 1 3633 1 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 0 35.909454 11.549311 -3.4772518 1 3634 1 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 0 34.550507 11.39873 -2.8038192 1 3635 1 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 0 33.704178 12.290653 -2.8784697 1 3636 1 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 0 36.70157 12.676629 -2.8002572 1 3637 1 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 0 37.011555 12.400879 -1.3439102 1 3638 1 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 0 37.86725 13.486633 -0.7153071 1 3639 1 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 0 39.108738 13.350306 -0.70570886 1 3640 1 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 0 37.289345 14.480854 -0.23833552 1 3641 1 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 0 34.354908 10.260311 -2.1619463 1 3642 1 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 0 33.129562 9.976761 -1.425926 1 3643 1 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 0 33.40474 10.082959 0.06537883 1 3644 1 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 0 34.47368 9.686008 0.5298587 1 3645 1 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 0 32.597374 8.579621 -1.7593157 1 3646 1 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 0 32.441177 8.244923 -3.2446404 1 3647 1 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 0 31.977097 6.802441 -3.412095 1 3648 1 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 0 31.481781 9.208648 -3.9175649 1 3649 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 32.44745 10.602608 0.80637866 1 3650 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 32.604706 10.785158 2.244185 1 3651 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 31.43163 10.178829 2.9994526 1 3652 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 30.304047 10.152239 2.5073314 1 3653 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 32.72641 12.276341 2.5920126 1 3654 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 33.937874 12.953793 1.9791456 1 3655 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 34.0049 14.419636 2.3792663 1 3656 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 35.228554 15.089176 1.7750273 1 3657 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 35.293503 16.515455 2.1454973 1 3658 1 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 0 31.717957 9.721405 4.1962037 1 3659 1 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 0 30.684118 9.170237 5.0601735 1 3660 1 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 0 31.205418 8.984547 6.4703016 1 3661 1 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 0 32.348396 9.328379 6.7782564 1 3662 1 +ATOM N N . THR C0 3 44 . 44 THR C0 N 0 30.333862 8.459099 7.3502693 1 3663 1 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 0 30.71954 8.170906 8.721706 1 3664 1 +ATOM C C . THR C0 3 44 . 44 THR C0 C 0 30.2286 6.7820396 9.10443 1 3665 1 +ATOM O O . THR C0 3 44 . 44 THR C0 O 0 29.346079 6.21556 8.453881 1 3666 1 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 0 30.14703 9.203744 9.712547 1 3667 1 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 0 28.720057 9.205152 9.619861 1 3668 1 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 0 30.684118 10.597632 9.42823 1 3669 1 +ATOM N N . SER C0 3 45 . 45 SER C0 N 0 30.820621 6.242005 10.155289 1 3670 1 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 0 30.454613 4.9006987 10.604954 1 3671 1 +ATOM C C . SER C0 3 45 . 45 SER C0 C 0 30.666939 4.7783155 12.109465 1 3672 1 +ATOM O O . SER C0 3 45 . 45 SER C0 O 0 31.570042 5.4100065 12.670015 1 3673 1 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 0 31.27203 3.8397808 9.869797 1 3674 1 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 0 30.995043 2.5446908 10.368292 1 3675 1 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 0 29.840313 3.947523 12.746192 1 3676 1 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 0 30.032516 3.6478696 14.166811 1 3677 1 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 0 31.190819 2.6759565 14.375914 1 3678 1 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 0 31.697447 2.547718 15.486836 1 3679 1 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 0 28.752415 3.0531256 14.7750225 1 3680 1 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 0 27.632856 4.0643206 14.8909855 1 3681 1 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 0 27.912668 5.2166033 15.289854 1 3682 1 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 0 26.471668 3.708702 14.598607 1 3683 1 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 0 31.581627 1.9961163 13.318665 1 3684 1 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 0 32.681572 1.0436928 13.382574 1 3685 1 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 0 33.933174 1.6492007 12.751898 1 3686 1 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 0 33.851112 2.5186448 11.8829365 1 3687 1 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 0 32.31363 -0.2586264 12.665364 1 3688 1 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 0 31.133278 -0.9895123 13.288338 1 3689 1 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 0 30.86124 -2.3045359 12.56121 1 3690 1 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 0 29.705479 -3.0493083 13.205622 1 3691 1 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 0 29.442083 -4.3395343 12.527686 1 3692 1 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 0 35.09632 1.1623597 13.201035 1 3693 1 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 0 36.358253 1.6740645 12.688573 1 3694 1 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 0 37.03518 0.7054126 11.7235985 1 3695 1 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 0 38.223488 0.83395773 11.447741 1 3696 1 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 0 37.309864 2.0150204 13.840624 1 3697 1 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 0 37.745903 0.78205764 14.636404 1 3698 1 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 0 37.262863 -0.3301038 14.4198265 1 3699 1 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 0 38.65985 0.9856825 15.57153 1 3700 1 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 0 36.270676 -0.26931483 11.196888 1 3701 1 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 0 36.846443 -1.2718029 10.305191 1 3702 1 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 0 36.69513 -0.9200499 8.822815 1 3703 1 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 0 37.157417 -1.6751707 7.971783 1 3704 1 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 0 36.23609 -2.6446416 10.590604 1 3705 1 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 0 34.76999 -2.7276354 10.208622 1 3706 1 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 0 34.117447 -1.7174834 9.952359 1 3707 1 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 0 34.239426 -3.9368773 10.168306 1 3708 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 36.067284 0.17744 8.502089 1 3709 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 35.887424 0.5869153 7.120605 1 3710 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 34.50106 0.34251893 6.56275 1 3711 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 34.213238 0.7678367 5.4360595 1 3712 1 +ATOM N N . SER C0 3 51 . 51 SER C0 N 0 33.62683 -0.333705 7.2929115 1 3713 1 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 0 32.27691 -0.5844679 6.824862 1 3714 1 +ATOM C C . SER C0 3 51 . 51 SER C0 C 0 31.437004 0.6878166 6.9733596 1 3715 1 +ATOM O O . SER C0 3 51 . 51 SER C0 O 0 31.677616 1.5031105 7.8640175 1 3716 1 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 0 31.635983 -1.7394627 7.6018257 1 3717 1 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 0 31.494997 -1.417715 8.964521 1 3718 1 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 0 30.463747 0.83294815 6.087382 1 3719 1 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 0 29.598759 1.9983063 6.1571336 1 3720 1 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 0 29.153372 2.4598293 4.781294 1 3721 1 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 0 29.270222 1.7338777 3.7938402 1 3722 1 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 0 28.611576 3.6621606 4.7417707 1 3723 1 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 0 28.100105 4.232918 3.5058668 1 3724 1 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 0 28.818726 5.552833 3.2237296 1 3725 1 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 0 28.969484 6.388084 4.122736 1 3726 1 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 0 26.573778 4.472478 3.5901828 1 3727 1 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 0 26.069073 5.129926 2.312758 1 3728 1 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 0 25.846565 3.1595392 3.8328726 1 3729 1 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 0 29.264885 5.726492 1.9924201 1 3730 1 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 0 29.922752 6.9529285 1.5579159 1 3731 1 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 0 29.172419 7.5147142 0.362 1 3732 1 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 0 28.688097 6.755211 -0.484808 1 3733 1 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 0 31.383915 6.6995473 1.1817503 1 3734 1 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 0 32.3017 6.1167974 2.2512116 1 3735 1 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 0 33.742138 6.532027 1.9983014 1 3736 1 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 0 32.174664 4.597039 2.2910726 1 3737 1 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 0 29.085644 8.828129 0.29300758 1 3738 1 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 0 28.333527 9.45874 -0.778399 1 3739 1 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 0 29.09643 10.6455765 -1.3675961 1 3740 1 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 0 29.929695 11.256198 -0.69934475 1 3741 1 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 0 26.96109 9.930506 -0.27467486 1 3742 1 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 0 26.081581 8.794579 0.22713824 1 3743 1 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 0 24.743305 9.26577 0.7449144 1 3744 1 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 0 23.79982 8.452007 0.8113271 1 3745 1 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 0 24.625065 10.455893 1.0860124 1 3746 1 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 0 28.779554 10.951738 -2.6121342 1 3747 1 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 0 29.375422 12.091288 -3.290967 1 3748 1 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 0 28.49657 12.5478525 -4.441433 1 3749 1 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 0 27.541899 11.864019 -4.815411 1 3750 1 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 0 28.821934 13.711725 -4.9877872 1 3751 1 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 0 28.053635 14.290456 -6.0845985 1 3752 1 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 0 28.99486 14.616166 -7.241946 1 3753 1 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 0 30.019022 15.279551 -7.047098 1 3754 1 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 0 27.307028 15.569485 -5.645277 1 3755 1 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 0 26.485552 16.133385 -6.8014183 1 3756 1 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 0 26.407528 15.2735195 -4.4489937 1 3757 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 28.643524 14.134535 -8.440792 1 3758 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 29.445047 14.414996 -9.620399 1 3759 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 29.170938 15.825462 -10.14175 1 3760 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 28.228678 16.50182 -9.708052 1 3761 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 29.156054 13.396792 -10.716205 1 3762 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 29.68053 12.011867 -10.444241 1 3763 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 29.410793 11.093947 -11.623062 1 3764 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 30.043215 9.730232 -11.430641 1 3765 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 31.520382 9.794462 -11.5059 1 3766 1 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 0 29.988678 16.267456 -11.092812 1 3767 1 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 0 29.833605 17.604868 -11.665228 1 3768 1 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 0 28.482166 17.778337 -12.353269 1 3769 1 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 0 27.921108 18.875116 -12.359134 1 3770 1 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 0 30.96784 17.887413 -12.647146 1 3771 1 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 0 27.947124 16.687666 -12.937128 1 3772 1 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 0 26.654348 16.765738 -13.608412 1 3773 1 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 0 25.489573 16.599575 -12.628079 1 3774 1 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 0 24.34886 16.40967 -13.051142 1 3775 1 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 0 26.560509 15.722638 -14.728575 1 3776 1 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 0 26.604244 14.292367 -14.225342 1 3777 1 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 0 26.725197 14.078833 -12.997169 1 3778 1 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 0 26.51413 13.368097 -15.060277 1 3779 1 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 0 25.791723 16.645454 -11.329546 1 3780 1 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 0 24.83638 16.558067 -10.231761 1 3781 1 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 0 24.287453 15.156071 -9.997358 1 3782 1 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 0 23.376411 14.977771 -9.183437 1 3783 1 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 0 23.677252 17.551262 -10.426893 1 3784 1 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 0 24.12878 19.001017 -10.430815 1 3785 1 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 0 22.95307 19.951414 -10.429151 1 3786 1 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 0 23.42894 21.392962 -10.486519 1 3787 1 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 0 24.26376 21.738255 -9.293173 1 3788 1 +ATOM N N . SER C0 3 62 . 62 SER C0 N 0 24.820541 14.1635475 -10.707249 1 3789 1 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 0 24.43748 12.796374 -10.410959 1 3790 1 +ATOM C C . SER C0 3 62 . 62 SER C0 C 0 25.030188 12.414513 -9.056393 1 3791 1 +ATOM O O . SER C0 3 62 . 62 SER C0 O 0 26.081709 12.920631 -8.655142 1 3792 1 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 0 24.915478 11.840331 -11.51027 1 3793 1 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 0 26.31997 11.862647 -11.652091 1 3794 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 24.360952 11.520328 -8.362713 1 3795 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 24.771477 11.122065 -7.014035 1 3796 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 25.438961 9.749491 -7.0450764 1 3797 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 25.013878 8.852684 -7.7933793 1 3798 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 23.559586 11.086456 -6.0772676 1 3799 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 22.692425 12.336662 -6.116638 1 3800 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 23.394356 13.542621 -5.5557623 1 3801 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 22.530064 14.798553 -5.639469 1 3802 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 21.294226 14.682404 -4.837332 1 3803 1 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 0 26.483786 9.586756 -6.2457848 1 3804 1 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 0 27.214027 8.32844 -6.1501775 1 3805 1 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 0 27.177244 7.843959 -4.7043324 1 3806 1 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 0 27.406078 8.627876 -3.7756608 1 3807 1 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 0 28.675508 8.476441 -6.620554 1 3808 1 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 0 29.400606 7.1442785 -6.538253 1 3809 1 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 0 28.720472 9.033386 -8.038536 1 3810 1 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 0 26.895424 6.5763583 -4.5299377 1 3811 1 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 0 26.793823 5.9849043 -3.1984935 1 3812 1 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 0 27.579052 4.6771555 -3.155621 1 3813 1 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 0 27.361866 3.7936683 -3.989771 1 3814 1 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 0 25.322332 5.734144 -2.8342512 1 3815 1 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 0 25.111336 5.110544 -1.4636152 1 3816 1 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 0 23.619202 4.9012547 -1.2176515 1 3817 1 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 0 23.364914 4.24481 0.13574538 1 3818 1 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 0 21.917389 4.0452814 0.35893226 1 3819 1 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 0 28.507668 4.5882564 -2.2086105 1 3820 1 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 0 29.2976 3.3758311 -2.00664 1 3821 1 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 0 28.927406 2.767736 -0.66333646 1 3822 1 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 0 29.056585 3.4278846 0.37680626 1 3823 1 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 0 30.801937 3.6961014 -2.0393152 1 3824 1 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 0 31.742044 2.5313685 -1.6974409 1 3825 1 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 0 33.177235 3.0310128 -1.5832131 1 3826 1 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 0 31.641315 1.4197779 -2.7381272 1 3827 1 +ATOM N N . THR C0 3 67 . 67 THR C0 N 0 28.442913 1.5432378 -0.68446714 1 3828 1 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 0 28.078495 0.84091353 0.5402578 1 3829 1 +ATOM C C . THR C0 3 67 . 67 THR C0 C 0 29.074648 -0.2920095 0.78114694 1 3830 1 +ATOM O O . THR C0 3 67 . 67 THR C0 O 0 29.29227 -1.1239245 -0.09832707 1 3831 1 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 0 26.651005 0.2843899 0.4586073 1 3832 1 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 0 25.732899 1.3524647 0.1925662 1 3833 1 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 0 26.256031 -0.40848243 1.7567358 1 3834 1 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 0 29.670128 -0.29426366 1.9615766 1 3835 1 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 0 30.632303 -1.3198183 2.3533034 1 3836 1 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 0 29.997833 -2.1743286 3.4409397 1 3837 1 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 0 29.587385 -1.6539643 4.4805427 1 3838 1 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 0 31.940165 -0.68233424 2.8668785 1 3839 1 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 0 32.48497 0.30510956 1.8271625 1 3840 1 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 0 32.968002 -1.762275 3.1953328 1 3841 1 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 0 33.562996 1.2358258 2.363937 1 3842 1 +ATOM N N . SER C0 3 69 . 69 SER C0 N 0 29.898567 -3.4928231 3.2059205 1 3843 1 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 0 29.248295 -4.3913 4.1489515 1 3844 1 +ATOM C C . SER C0 3 69 . 69 SER C0 C 0 30.009388 -4.4496183 5.472973 1 3845 1 +ATOM O O . SER C0 3 69 . 69 SER C0 O 0 31.20421 -4.16399 5.5380764 1 3846 1 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 0 29.116749 -5.7948933 3.5576746 1 3847 1 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 0 30.393377 -6.3565345 3.291566 1 3848 1 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 0 29.298325 -4.834844 6.5353565 1 3849 1 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 0 29.877466 -4.885923 7.875946 1 3850 1 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 0 31.09254 -5.8106146 7.953777 1 3851 1 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 0 32.043488 -5.517326 8.676355 1 3852 1 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 0 28.82642 -5.3256593 8.898374 1 3853 1 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 0 27.79049 -4.256486 9.175417 1 3854 1 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 0 28.013859 -3.081511 8.8050995 1 3855 1 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 0 26.739285 -4.5823746 9.772554 1 3856 1 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 0 31.058926 -6.930402 7.208576 1 3857 1 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 0 32.17591 -7.8681145 7.229036 1 3858 1 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 0 33.22826 -7.5445786 6.1707816 1 3859 1 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 0 34.159805 -8.321796 5.9824963 1 3860 1 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 0 31.673824 -9.312605 7.0632544 1 3861 1 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 0 30.999544 -9.55524 5.7243633 1 3862 1 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 0 30.90887 -8.618799 4.897197 1 3863 1 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 0 30.552952 -10.700968 5.49238 1 3864 1 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 0 33.074577 -6.422164 5.490217 1 3865 1 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 0 33.97532 -5.9627852 4.4395046 1 3866 1 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 0 34.047512 -6.9245415 3.2538326 1 3867 1 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 0 34.979187 -6.8501425 2.444173 1 3868 1 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 0 35.396072 -5.724962 4.9893827 1 3869 1 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 0 35.507286 -4.8341846 6.2225885 1 3870 1 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 0 36.97396 -4.658437 6.596506 1 3871 1 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 0 34.85997 -3.4847345 5.9587746 1 3872 1 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 0 33.06041 -7.812765 3.1479828 1 3873 1 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 0 33.067703 -8.821195 2.0972304 1 3874 1 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 0 32.366776 -8.420237 0.81508166 1 3875 1 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 0 32.38752 -9.170717 -0.1630136 1 3876 1 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 0 31.739212 -7.260109 0.8001925 1 3877 1 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 0 31.011175 -6.833388 -0.39324206 1 3878 1 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 0 30.928642 -5.314377 -0.46032274 1 3879 1 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 0 30.79516 -4.643323 0.57237124 1 3880 1 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 0 29.601292 -7.4350824 -0.38758957 1 3881 1 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 0 28.78196 -7.12081 -1.6277318 1 3882 1 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 0 27.416273 -7.780753 -1.6033975 1 3883 1 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 0 26.441383 -7.1910663 -1.1507561 1 3884 1 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 0 27.348969 -9.022257 -2.0707784 1 3885 1 +ATOM N N . THR C0 3 75 . 75 THR C0 N 0 31.026175 -4.7907615 -1.6722476 1 3886 1 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 0 30.816814 -3.3692818 -1.9016645 1 3887 1 +ATOM C C . THR C0 3 75 . 75 THR C0 C 0 29.733671 -3.1850743 -2.9561555 1 3888 1 +ATOM O O . THR C0 3 75 . 75 THR C0 O 0 29.612526 -3.9905295 -3.8847055 1 3889 1 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 0 32.098034 -2.6472826 -2.3638275 1 3890 1 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 0 32.54471 -3.2151275 -3.5924895 1 3891 1 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 0 33.201477 -2.767425 -1.3169591 1 3892 1 +ATOM N N . THR C0 3 76 . 76 THR C0 N 0 28.939318 -2.1325474 -2.7869902 1 3893 1 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 0 27.90829 -1.7861823 -3.751791 1 3894 1 +ATOM C C . THR C0 3 76 . 76 THR C0 C 0 28.121758 -0.3283872 -4.1616497 1 3895 1 +ATOM O O . THR C0 3 76 . 76 THR C0 O 0 28.096443 0.5627632 -3.308387 1 3896 1 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 0 26.499794 -1.9622388 -3.1611023 1 3897 1 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 0 26.319069 -3.3255286 -2.7562437 1 3898 1 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 0 25.431847 -1.6037605 -4.190048 1 3899 1 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 0 28.346195 -0.115860015 -5.4502535 1 3900 1 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 0 28.554218 1.2243477 -5.9784164 1 3901 1 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 0 27.366726 1.5901604 -6.865675 1 3902 1 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 0 27.111427 0.9248353 -7.8709917 1 3903 1 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 0 29.859068 1.3129865 -6.778962 1 3904 1 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 0 30.21724 2.6926472 -7.3343506 1 3905 1 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 0 31.389675 2.5823922 -8.300919 1 3906 1 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 0 30.528542 3.6662905 -6.2134905 1 3907 1 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 0 26.65501 2.6354792 -6.486014 1 3908 1 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 0 25.460918 3.0463552 -7.2062273 1 3909 1 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 0 25.580967 4.492607 -7.6726546 1 3910 1 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 0 26.09283 5.3524733 -6.9478245 1 3911 1 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 0 24.211279 2.9028416 -6.3251357 1 3912 1 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 0 23.90592 1.4684327 -5.9130135 1 3913 1 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 0 22.844055 1.3838315 -4.838359 1 3914 1 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 0 21.762781 0.8272325 -5.104463 1 3915 1 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 0 23.092335 1.8858075 -3.724234 1 3916 1 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 0 25.110884 4.7432933 -8.893714 1 3917 1 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 0 25.057745 6.0974283 -9.437647 1 3918 1 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 0 23.599297 6.4150085 -9.720017 1 3919 1 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 0 22.89124 5.6183786 -10.35304 1 3920 1 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 0 25.898392 6.242072 -10.723594 1 3921 1 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 0 25.839167 7.6688986 -11.240398 1 3922 1 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 0 27.34351 5.813078 -10.46146 1 3923 1 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 0 23.138935 7.558929 -9.248559 1 3924 1 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 0 21.742424 7.967037 -9.378411 1 3925 1 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 0 21.61189 9.2617235 -10.171898 1 3926 1 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 0 22.58028 10.010033 -10.333517 1 3927 1 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 0 21.107185 8.192881 -8.003514 1 3928 1 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 0 21.168627 7.016609 -7.07421 1 3929 1 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 0 22.243702 6.8599386 -6.216106 1 3930 1 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 0 20.14943 6.078885 -7.0514617 1 3931 1 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 0 22.300884 5.7796884 -5.3484836 1 3932 1 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 0 20.200735 5.00406 -6.1917686 1 3933 1 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 0 21.275845 4.8493524 -5.336483 1 3934 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 20.378315 9.524811 -10.629845 1 3935 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 20.07219 10.830114 -11.194027 1 3936 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 20.131079 11.869955 -10.082933 1 3937 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 20.40964 11.5570545 -8.919887 1 3938 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 18.680927 10.828223 -11.841253 1 3939 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 18.574594 10.007347 -13.113466 1 3940 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 17.180096 10.144426 -13.718643 1 3941 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 17.05706 9.366314 -15.018953 1 3942 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 15.699088 9.495184 -15.595757 1 3943 1 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 0 19.834978 13.121031 -10.418748 1 3944 1 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 0 19.9017 14.2155285 -9.446672 1 3945 1 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 0 18.997255 13.992706 -8.239862 1 3946 1 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 0 19.298729 14.491371 -7.146282 1 3947 1 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 0 19.538029 15.5527315 -10.120634 1 3948 1 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 0 20.486143 15.974894 -11.233089 1 3949 1 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 0 20.071 15.456029 -12.595772 1 3950 1 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 0 20.528065 16.02274 -13.605633 1 3951 1 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 0 19.291677 14.4683275 -12.656755 1 3952 1 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 0 17.902817 13.237697 -8.404501 1 3953 1 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 0 16.966753 13.030539 -7.30293 1 3954 1 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 0 17.51231 12.070919 -6.2459073 1 3955 1 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 0 16.909819 11.925472 -5.1838446 1 3956 1 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 0 15.602926 12.552073 -7.809265 1 3957 1 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 0 15.663571 11.228088 -8.563971 1 3958 1 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 0 16.684856 10.50699 -8.454669 1 3959 1 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 0 14.677572 10.906971 -9.2601385 1 3960 1 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 0 18.649807 11.441296 -6.526992 1 3961 1 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 0 19.265017 10.545927 -5.570249 1 3962 1 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 0 18.540262 9.229014 -5.367038 1 3963 1 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 0 18.880577 8.471447 -4.4477906 1 3964 1 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 0 17.57848 8.92339 -6.225148 1 3965 1 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 0 16.791029 7.701982 -6.103398 1 3966 1 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 0 16.761677 6.8962464 -7.3908606 1 3967 1 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 0 16.841686 5.6663046 -7.35109 1 3968 1 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 0 15.3517475 8.035408 -5.6689167 1 3969 1 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 0 15.2553215 8.725252 -4.321283 1 3970 1 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 0 13.825289 9.169106 -4.057248 1 3971 1 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 0 13.732394 9.948189 -2.756109 1 3972 1 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 0 12.3686905 10.456659 -2.5487564 1 3973 1 +ATOM N N . THR C0 3 86 . 86 THR C0 N 0 16.628208 7.566403 -8.529159 1 3974 1 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 0 16.541424 6.8864985 -9.816425 1 3975 1 +ATOM C C . THR C0 3 86 . 86 THR C0 C 0 17.9223 6.370147 -10.213581 1 3976 1 +ATOM O O . THR C0 3 86 . 86 THR C0 O 0 18.84796 7.154379 -10.430252 1 3977 1 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 0 15.998215 7.827462 -10.899608 1 3978 1 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 0 14.754459 8.378744 -10.466064 1 3979 1 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 0 15.804828 7.0859013 -12.213424 1 3980 1 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 0 18.035234 5.04849 -10.345721 1 3981 1 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 0 19.324013 4.4053125 -10.588041 1 3982 1 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 0 19.773342 4.564457 -12.042658 1 3983 1 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 0 18.97623 4.3936844 -12.97318 1 3984 1 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 0 19.229275 2.9275584 -10.220022 1 3985 1 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 0 20.515224 2.1575234 -9.939813 1 3986 1 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 0 20.14624 0.74860823 -9.493414 1 3987 1 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 0 21.357872 2.858704 -8.89028 1 3988 1 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 0 21.04673 4.8847666 -12.208744 1 3989 1 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 0 21.669987 4.977812 -13.520208 1 3990 1 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 0 22.555473 3.754582 -13.757148 1 3991 1 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 0 22.521423 3.1579804 -14.833725 1 3992 1 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 0 22.494963 6.274391 -13.660683 1 3993 1 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 0 23.255112 6.2800756 -14.978868 1 3994 1 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 0 21.584013 7.4978566 -13.550214 1 3995 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 23.348452 3.3964825 -12.764231 1 3996 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 24.197847 2.2153997 -12.840321 1 3997 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 24.438295 1.6656725 -11.442051 1 3998 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 24.306007 2.3850846 -10.449083 1 3999 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 25.533411 2.528268 -13.524649 1 4000 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 26.312101 3.416081 -12.759947 1 4001 1 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 0 24.804651 0.38794208 -11.394754 1 4002 1 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 0 25.029675 -0.28212762 -10.118332 1 4003 1 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 0 26.050835 -1.3975657 -10.299028 1 4004 1 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 0 25.971905 -2.1554313 -11.270715 1 4005 1 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 0 23.713137 -0.8548268 -9.5721445 1 4006 1 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 0 23.84797 -1.6121743 -8.261454 1 4007 1 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 0 22.488428 -2.1534975 -7.8286276 1 4008 1 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 0 22.576056 -2.885557 -6.4923906 1 4009 1 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 0 21.254814 -3.3849301 -6.0834813 1 4010 1 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 0 27.008574 -1.4741395 -9.372345 1 4011 1 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 0 28.000818 -2.5415006 -9.402294 1 4012 1 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 0 28.172344 -3.1238842 -8.008221 1 4013 1 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 0 28.432186 -2.3857832 -7.0538583 1 4014 1 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 0 29.358047 -2.0364132 -9.919225 1 4015 1 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 0 30.414444 -3.1390333 -9.9861965 1 4016 1 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 0 31.71465 -2.6274288 -10.592001 1 4017 1 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 0 32.74964 -3.7453704 -10.689305 1 4018 1 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 0 34.002136 -3.2664468 -11.296234 1 4019 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 27.99634 -4.4223204 -7.9056983 1 4020 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 28.179195 -5.135248 -6.6425705 1 4021 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 29.377556 -6.058994 -6.7972445 1 4022 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 29.42828 -6.8624144 -7.7348557 1 4023 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 26.927376 -5.948821 -6.255967 1 4024 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 27.152569 -6.6663027 -4.930353 1 4025 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 25.705982 -5.039764 -6.182827 1 4026 1 +ATOM N N . THR C0 3 93 . 93 THR C0 N 0 30.34311 -5.94104 -5.902611 1 4027 1 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 0 31.548615 -6.7580233 -5.9492464 1 4028 1 +ATOM C C . THR C0 3 93 . 93 THR C0 C 0 31.706543 -7.515408 -4.6370378 1 4029 1 +ATOM O O . THR C0 3 93 . 93 THR C0 O 0 31.59952 -6.926733 -3.5602326 1 4030 1 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 0 32.796764 -5.893573 -6.200236 1 4031 1 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 0 32.611385 -5.1200514 -7.383935 1 4032 1 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 0 34.041504 -6.7628355 -6.3588686 1 4033 1 +ATOM N N . SER C0 3 94 . 94 SER C0 N 0 31.944786 -8.823427 -4.741055 1 4034 1 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 0 32.10048 -9.677543 -3.5644908 1 4035 1 +ATOM C C . SER C0 3 94 . 94 SER C0 C 0 33.578003 -9.975791 -3.3130288 1 4036 1 +ATOM O O . SER C0 3 94 . 94 SER C0 O 0 34.42828 -9.777382 -4.180915 1 4037 1 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 0 31.31739 -10.973474 -3.7312403 1 4038 1 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 0 29.9355 -10.720577 -3.8873272 1 4039 1 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 0 33.885666 -10.482386 -2.1145706 1 4040 1 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 0 35.26735 -10.753012 -1.7364614 1 4041 1 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 0 35.913063 -11.835857 -2.585527 1 4042 1 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 0 37.14118 -11.900363 -2.6680026 1 4043 1 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 0 35.337086 -11.123723 -0.24171625 1 4044 1 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 0 34.66797 -12.438335 0.11769005 1 4045 1 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 0 34.5781 -12.629768 1.6418381 1 4046 1 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 0 35.943283 -12.60262 2.2936642 1 4047 1 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 0 35.854553 -12.770301 3.7632618 1 4048 1 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 0 35.112373 -12.707424 -3.2120144 1 4049 1 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 0 35.673134 -13.740462 -4.083246 1 4050 1 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 0 35.95137 -13.210114 -5.4903226 1 4051 1 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 0 36.22573 -13.993824 -6.3970633 1 4052 1 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 0 34.740494 -14.959627 -4.141316 1 4053 1 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 0 33.406334 -14.6670265 -4.813324 1 4054 1 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 0 33.139282 -13.488874 -5.15292 1 4055 1 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 0 32.62203 -15.616503 -5.006327 1 4056 1 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 0 35.855408 -11.899747 -5.6579237 1 4057 1 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 0 36.107647 -11.182402 -6.910245 1 4058 1 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 0 34.998703 -11.320307 -7.944268 1 4059 1 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 0 35.14981 -10.856348 -9.078722 1 4060 1 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 0 37.459023 -11.596392 -7.5130496 1 4061 1 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 0 38.639786 -11.277595 -6.6062365 1 4062 1 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 0 39.964493 -11.621275 -7.283495 1 4063 1 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 0 41.12425 -11.291395 -6.346111 1 4064 1 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 0 42.41967 -11.623176 -6.970342 1 4065 1 +ATOM N N . SER C0 3 98 . 98 SER C0 N 0 33.883102 -11.95138 -7.5878043 1 4066 1 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 0 32.738182 -11.979807 -8.480963 1 4067 1 +ATOM C C . SER C0 3 98 . 98 SER C0 C 0 32.04171 -10.6200695 -8.411001 1 4068 1 +ATOM O O . SER C0 3 98 . 98 SER C0 O 0 32.132736 -9.912168 -7.401552 1 4069 1 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 0 31.762314 -13.099745 -8.0945835 1 4070 1 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 0 31.22425 -12.892847 -6.8088875 1 4071 1 +ATOM N N . SER C0 3 99 . 99 SER C0 N 0 31.36515 -10.266323 -9.507222 1 4072 1 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 0 30.688025 -8.97581 -9.524167 1 4073 1 +ATOM C C . SER C0 3 99 . 99 SER C0 C 0 29.510414 -8.978785 -10.489995 1 4074 1 +ATOM O O . SER C0 3 99 . 99 SER C0 O 0 29.419083 -9.828325 -11.380491 1 4075 1 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 0 31.653494 -7.844576 -9.899123 1 4076 1 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 0 32.05412 -7.942923 -11.245853 1 4077 1 +ATOM N N . THR C0 3 100 . 100 THR C0 N 0 28.604053 -8.028262 -10.2642565 1 4078 1 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 0 27.483047 -7.8061943 -11.164074 1 4079 1 +ATOM C C . THR C0 3 100 . 100 THR C0 C 0 27.419088 -6.3118715 -11.475538 1 4080 1 +ATOM O O . THR C0 3 100 . 100 THR C0 O 0 27.376335 -5.490861 -10.555334 1 4081 1 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 0 26.151382 -8.259575 -10.537084 1 4082 1 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 0 26.22269 -9.653306 -10.224174 1 4083 1 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 0 24.990759 -8.027561 -11.497644 1 4084 1 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 0 27.45335 -5.9922094 -12.759899 1 4085 1 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 0 27.365047 -4.60458 -13.207369 1 4086 1 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 0 26.097763 -4.4183826 -14.033928 1 4087 1 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 0 25.811455 -5.2255783 -14.919695 1 4088 1 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 0 28.57886 -4.2159286 -14.058096 1 4089 1 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 0 29.91882 -4.403557 -13.376239 1 4090 1 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 0 31.073545 -4.0979853 -14.304964 1 4091 1 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 0 31.832825 -5.018778 -14.644414 1 4092 1 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 0 31.217937 -2.9233434 -14.702713 1 4093 1 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 0 25.361237 -3.358218 -13.7321205 1 4094 1 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 0 24.11472 -3.0987182 -14.429043 1 4095 1 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 0 24.012735 -1.6341419 -14.841545 1 4096 1 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 0 24.445545 -0.74100256 -14.111592 1 4097 1 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 0 22.906454 -3.4449909 -13.548079 1 4098 1 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 0 22.784786 -4.9182663 -13.193175 1 4099 1 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 0 21.8115 -5.1580133 -12.059758 1 4100 1 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 0 20.746317 -5.7593207 -12.3021965 1 4101 1 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 0 22.118309 -4.731131 -10.926255 1 4102 1 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 0 23.430292 -1.4108605 -16.003567 1 4103 1 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 0 23.082525 -0.067539394 -16.457203 1 4104 1 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 0 21.590029 -0.03838804 -16.700077 1 4105 1 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 0 20.993252 -1.0478357 -17.09281 1 4106 1 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 0 23.851181 0.30821776 -17.729681 1 4107 1 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 0 25.337248 0.5097047 -17.495354 1 4108 1 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 0 26.024044 1.0898424 -18.73146 1 4109 1 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 0 27.503254 1.322945 -18.476574 1 4110 1 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 0 27.72456 2.3414528 -17.40623 1 4111 1 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 0 20.9814 1.1207283 -16.47649 1 4112 1 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 0 19.526327 1.2413738 -16.518162 1 4113 1 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 0 19.075577 2.2962375 -17.52388 1 4114 1 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 0 19.774618 3.2990525 -17.734959 1 4115 1 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 0 18.988445 1.5850697 -15.125808 1 4116 1 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 0 19.399187 0.5931234 -14.072313 1 4117 1 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 0 20.65422 0.65939707 -13.488752 1 4118 1 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 0 18.53814 -0.41719848 -13.684394 1 4119 1 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 0 21.040714 -0.2746032 -12.530971 1 4120 1 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 0 18.914894 -1.3413274 -12.728661 1 4121 1 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 0 20.169855 -1.2699087 -12.149773 1 4122 1 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 0 17.912292 2.0626507 -18.126825 1 4123 1 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 0 17.367414 3.0381482 -19.06377 1 4124 1 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 0 16.502098 4.0514812 -18.316769 1 4125 1 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 0 16.402235 4.0178194 -17.086506 1 4126 1 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 0 16.576504 2.355474 -20.188261 1 4127 1 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 0 15.337734 1.623169 -19.704056 1 4128 1 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 0 14.840283 1.8711771 -18.606403 1 4129 1 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 0 14.822983 0.7315296 -20.542747 1 4130 1 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 0 15.869949 4.970535 -19.041529 1 4131 1 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 0 15.113884 6.052821 -18.420216 1 4132 1 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 0 13.892169 5.556102 -17.661587 1 4133 1 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 0 13.375963 6.2821274 -16.805246 1 4134 1 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 0 14.692757 7.095771 -19.468853 1 4135 1 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 0 13.747854 6.5529356 -20.532293 1 4136 1 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 0 13.319038 7.6098404 -21.537668 1 4137 1 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 0 13.653126 8.793489 -21.337275 1 4138 1 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 0 12.631186 7.25986 -22.529919 1 4139 1 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 0 13.421862 4.3276033 -17.941374 1 4140 1 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 0 12.280908 3.7595606 -17.23571 1 4141 1 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 0 12.694482 3.0382361 -15.952153 1 4142 1 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 0 11.840685 2.5229044 -15.234222 1 4143 1 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 0 11.512943 2.791495 -18.13476 1 4144 1 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 0 10.883019 3.4355159 -19.351091 1 4145 1 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 0 10.108493 2.3967605 -20.164228 1 4146 1 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 0 9.501379 3.028457 -21.401318 1 4147 1 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 0 8.71162 2.0422106 -22.16622 1 4148 1 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 0 14.001899 2.997859 -15.688714 1 4149 1 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 0 14.483273 2.278164 -14.526825 1 4150 1 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 0 14.619483 0.78825873 -14.762547 1 4151 1 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 0 14.731825 0.018964551 -13.808167 1 4152 1 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 0 14.6234865 0.36817193 -16.042189 1 4153 1 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 0 14.771036 -1.0338494 -16.408285 1 4154 1 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 0 16.221264 -1.3267174 -16.77531 1 4155 1 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 0 16.91285 -0.4666103 -17.32215 1 4156 1 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 0 13.863256 -1.3794891 -17.599476 1 4157 1 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 0 12.387209 -1.098086 -17.343859 1 4158 1 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 0 11.56187 -1.069843 -18.616367 1 4159 1 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 0 10.331145 -1.2582434 -18.517124 1 4160 1 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 0 12.120808 -0.8484877 -19.707531 1 4161 1 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 0 16.657154 -2.530745 -16.476198 1 4162 1 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 0 18.025599 -2.922696 -16.810179 1 4163 1 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 0 18.179392 -2.9687529 -18.332159 1 4164 1 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 0 17.38155 -3.615276 -19.02009 1 4165 1 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 0 18.38007 -4.285715 -16.196392 1 4166 1 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 0 19.782629 -4.7095823 -16.635267 1 4167 1 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 0 18.294817 -4.2296467 -14.681054 1 4168 1 +ATOM N N . SER C0 3 111 . 111 SER C0 N 0 19.186394 -2.2830775 -18.845535 1 4169 1 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 0 19.463102 -2.2815883 -20.282406 1 4170 1 +ATOM C C . SER C0 3 111 . 111 SER C0 C 0 20.72256 -3.0712566 -20.611958 1 4171 1 +ATOM O O . SER C0 3 111 . 111 SER C0 O 0 20.836956 -3.5998907 -21.722378 1 4172 1 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 0 19.606022 -0.844905 -20.801392 1 4173 1 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 0 20.646378 -0.16257733 -20.12798 1 4174 1 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 0 21.659641 -3.1668525 -19.675808 1 4175 1 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 0 22.881903 -3.9491236 -19.820965 1 4176 1 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 0 23.209404 -4.6047187 -18.489468 1 4177 1 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 0 22.93695 -4.040656 -17.434341 1 4178 1 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 0 24.065899 -3.0657184 -20.251411 1 4179 1 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 0 23.866726 -2.3567011 -21.583496 1 4180 1 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 0 25.04986 -1.4741573 -21.958551 1 4181 1 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 0 24.882309 -0.57739174 -22.801704 1 4182 1 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 0 26.151876 -1.6808438 -21.402863 1 4183 1 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 0 23.802006 -5.7930975 -18.57816 1 4184 1 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 0 24.170273 -6.4956503 -17.356586 1 4185 1 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 0 25.369225 -7.400632 -17.61987 1 4186 1 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 0 25.390514 -8.130199 -18.619781 1 4187 1 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 0 22.99009 -7.324246 -16.82553 1 4188 1 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 0 23.242605 -8.000395 -15.485886 1 4189 1 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 0 21.977423 -8.702196 -15.001215 1 4190 1 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 0 22.181757 -9.315544 -13.61898 1 4191 1 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 0 20.941637 -9.952898 -13.141342 1 4192 1 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 0 26.362953 -7.320178 -16.74392 1 4193 1 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 0 27.545141 -8.171555 -16.84636 1 4194 1 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 0 27.758827 -8.860693 -15.508497 1 4195 1 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 0 27.90267 -8.198207 -14.4781065 1 4196 1 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 0 28.811684 -7.3599577 -17.217083 1 4197 1 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 0 28.612156 -6.6448336 -18.558567 1 4198 1 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 0 30.0371 -8.282984 -17.273853 1 4199 1 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 0 29.783493 -5.7496567 -18.945076 1 4200 1 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 0 27.774845 -10.195164 -15.546402 1 4201 1 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 0 28.036966 -10.986174 -14.352871 1 4202 1 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 0 29.424368 -11.599524 -14.495802 1 4203 1 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 0 29.665112 -12.377376 -15.421526 1 4204 1 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 0 26.985767 -12.094349 -14.161326 1 4205 1 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 0 25.585377 -11.481224 -14.053941 1 4206 1 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 0 27.31881 -12.936382 -12.923392 1 4207 1 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 0 24.461563 -12.503601 -14.088498 1 4208 1 +ATOM N N . THR C0 3 116 . 116 THR C0 N 0 30.32562 -11.224564 -13.604837 1 4209 1 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 0 31.673222 -11.776054 -13.608299 1 4210 1 +ATOM C C . THR C0 3 116 . 116 THR C0 C 0 31.778593 -12.820501 -12.506973 1 4211 1 +ATOM O O . THR C0 3 116 . 116 THR C0 O 0 31.5254 -12.52672 -11.335662 1 4212 1 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 0 32.728157 -10.674319 -13.396194 1 4213 1 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 0 32.605377 -9.696967 -14.431519 1 4214 1 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 0 34.138184 -11.260557 -13.420192 1 4215 1 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 0 32.132195 -14.055499 -12.893536 1 4216 1 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 0 32.280014 -15.124792 -11.924412 1 4217 1 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 0 33.647453 -15.059569 -11.26903 1 4218 1 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 0 34.555656 -14.381273 -11.753597 1 4219 1 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 0 32.075905 -16.471859 -12.609121 1 4220 1 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 0 30.69763 -16.62844 -13.227993 1 4221 1 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 0 30.68158 -17.842184 -14.137596 1 4222 1 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 0 29.362692 -18.063774 -14.738182 1 4223 1 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 0 29.176199 -18.332731 -16.018688 1 4224 1 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 0 30.211031 -18.382893 -16.855988 1 4225 1 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 0 27.951258 -18.535217 -16.48026 1 4226 1 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 0 33.78482 -15.77681 -10.159619 1 4227 1 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 0 35.041496 -15.751084 -9.420848 1 4228 1 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 0 36.223045 -16.228123 -10.26613 1 4229 1 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 0 37.354126 -15.7805395 -10.05311 1 4230 1 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 0 34.918663 -16.600119 -8.152915 1 4231 1 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 0 35.954285 -17.124342 -11.228994 1 4232 1 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 0 37.034706 -17.647602 -12.062374 1 4233 1 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 0 37.346676 -16.748894 -13.263483 1 4234 1 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 0 38.18378 -17.104595 -14.090381 1 4235 1 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 0 36.718075 -19.07029 -12.535518 1 4236 1 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 0 35.4897 -19.15233 -13.422248 1 4237 1 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 0 34.925137 -18.094372 -13.792763 1 4238 1 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 0 35.083565 -20.281977 -13.756897 1 4239 1 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 0 36.690353 -15.597462 -13.359646 1 4240 1 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 0 36.96226 -14.644329 -14.418415 1 4241 1 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 0 36.088554 -14.77483 -15.650164 1 4242 1 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 0 36.119774 -13.89891 -16.524792 1 4243 1 +ATOM N N . THR C0 3 121 . 121 THR C0 N 0 35.301617 -15.851837 -15.760513 1 4244 1 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 0 34.38783 -15.967051 -16.888046 1 4245 1 +ATOM C C . THR C0 3 121 . 121 THR C0 C 0 33.200237 -15.037234 -16.660069 1 4246 1 +ATOM O O . THR C0 3 121 . 121 THR C0 O 0 32.908195 -14.634164 -15.525375 1 4247 1 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 0 33.90519 -17.423313 -17.080788 1 4248 1 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 0 33.19854 -17.850468 -15.91854 1 4249 1 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 0 35.08828 -18.352894 -17.324726 1 4250 1 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 0 32.498985 -14.719198 -17.758787 1 4251 1 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 0 31.445446 -13.720545 -17.657467 1 4252 1 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 0 30.195568 -14.101432 -18.435892 1 4253 1 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 0 30.267235 -14.818489 -19.443817 1 4254 1 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 0 31.932549 -12.360296 -18.184057 1 4255 1 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 0 33.172035 -11.816032 -17.503746 1 4256 1 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 0 33.424603 -10.373577 -17.912453 1 4257 1 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 0 33.51906 -10.170462 -19.358532 1 4258 1 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 0 34.601227 -10.437323 -20.090313 1 4259 1 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 0 35.694607 -10.92059 -19.514835 1 4260 1 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 0 34.586784 -10.20236 -21.396109 1 4261 1 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 0 29.072302 -13.58583 -17.968447 1 4262 1 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 0 27.824467 -13.58526 -18.7103 1 4263 1 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 0 27.505407 -12.129145 -19.018469 1 4264 1 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 0 27.43267 -11.300421 -18.106678 1 4265 1 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 0 26.67746 -14.206208 -17.900614 1 4266 1 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 0 26.686169 -15.727468 -17.75074 1 4267 1 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 0 25.620338 -16.149569 -16.736408 1 4268 1 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 0 26.42759 -16.387506 -19.099499 1 4269 1 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 0 27.354856 -11.817106 -20.299637 1 4270 1 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 0 27.100662 -10.447775 -20.716965 1 4271 1 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 0 25.747065 -10.344996 -21.411253 1 4272 1 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 0 25.431671 -11.157061 -22.28325 1 4273 1 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 0 28.200365 -9.946389 -21.661736 1 4274 1 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 0 29.587349 -9.949954 -21.03072 1 4275 1 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 0 30.670908 -9.458389 -21.980747 1 4276 1 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 0 31.842653 -9.39732 -21.55885 1 4277 1 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 0 30.353382 -9.128293 -23.142464 1 4278 1 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 0 24.961975 -9.356721 -21.00138 1 4279 1 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 0 23.64927 -9.124443 -21.583889 1 4280 1 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 0 23.575705 -7.700553 -22.116106 1 4281 1 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 0 23.947948 -6.753677 -21.413546 1 4282 1 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 0 22.537975 -9.353609 -20.554482 1 4283 1 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 0 22.602287 -10.722115 -19.902481 1 4284 1 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 0 23.107101 -10.880207 -18.616673 1 4285 1 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 0 22.156956 -11.850476 -20.579332 1 4286 1 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 0 23.160778 -12.132351 -18.016651 1 4287 1 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 0 22.20689 -13.103651 -19.985533 1 4288 1 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 0 22.708147 -13.233332 -18.707478 1 4289 1 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 0 22.767487 -14.47377 -18.11839 1 4290 1 +ATOM N N . THR C0 3 126 . 126 THR C0 N 0 23.113102 -7.557912 -23.335518 1 4291 1 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 0 22.956501 -6.240578 -23.94479 1 4292 1 +ATOM C C . THR C0 3 126 . 126 THR C0 C 0 21.601679 -6.153926 -24.64249 1 4293 1 +ATOM O O . THR C0 3 126 . 126 THR C0 O 0 20.971478 -7.1766644 -24.94441 1 4294 1 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 0 24.081524 -5.940551 -24.958702 1 4295 1 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 0 24.092163 -6.965722 -25.95517 1 4296 1 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 0 25.441582 -5.8867145 -24.268381 1 4297 1 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 0 21.164696 -4.9347086 -24.900356 1 4298 1 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 0 19.903053 -4.7210884 -25.59053 1 4299 1 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 0 18.71787 -5.330259 -24.872437 1 4300 1 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 0 17.813656 -5.855949 -25.516369 1 4301 1 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 0 18.726587 -5.2648106 -23.545033 1 4302 1 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 0 17.631594 -5.845282 -22.774464 1 4303 1 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 0 16.368576 -5.004621 -22.97842 1 4304 1 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 0 16.387495 -3.7804341 -22.79903 1 4305 1 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 0 17.99376 -5.931712 -21.284086 1 4306 1 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 0 19.253845 -6.7939563 -21.105467 1 4307 1 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 0 16.824158 -6.5197196 -20.489304 1 4308 1 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 0 19.779346 -6.8218775 -19.679562 1 4309 1 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 0 15.30055 -5.6801324 -23.372723 1 4310 1 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 0 14.022604 -5.0182962 -23.641342 1 4311 1 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 0 13.159775 -4.959999 -22.382906 1 4312 1 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 0 13.501596 -5.517482 -21.333014 1 4313 1 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 0 13.267262 -5.746606 -24.74894 1 4314 1 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 0 14.082092 -6.0056324 -26.005838 1 4315 1 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 0 14.470435 -4.713662 -26.717812 1 4316 1 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 0 15.221136 -5.008317 -28.004063 1 4317 1 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 0 15.593477 -3.779163 -28.696644 1 4318 1 +ATOM N N . SER C0 3 130 . 130 SER C0 N 0 12.013521 -4.273875 -22.492 1 4319 1 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 0 11.110236 -4.117687 -21.35292 1 4320 1 +ATOM C C . SER C0 3 130 . 130 SER C0 C 0 10.606268 -5.4591274 -20.820457 1 4321 1 +ATOM O O . SER C0 3 130 . 130 SER C0 O 0 10.364155 -5.602186 -19.623703 1 4322 1 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 0 9.926514 -3.2306354 -21.73965 1 4323 1 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 0 10.358404 -1.9164426 -22.064455 1 4324 1 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 0 10.459616 -6.4481273 -21.71899 1 4325 1 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 0 9.955293 -7.7555695 -21.2995 1 4326 1 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 0 11.060818 -8.668245 -20.776823 1 4327 1 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 0 10.80874 -9.842644 -20.50528 1 4328 1 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 0 9.202606 -8.441378 -22.448084 1 4329 1 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 0 10.089091 -8.75483 -23.646397 1 4330 1 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 0 11.298684 -8.439632 -23.610287 1 4331 1 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 0 9.568127 -9.31625 -24.629847 1 4332 1 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 0 12.266956 -8.138169 -20.64336 1 4333 1 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 0 13.376013 -8.91215 -20.113548 1 4334 1 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 0 14.177896 -9.666892 -21.146261 1 4335 1 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 0 15.129234 -10.363076 -20.779572 1 4336 1 +ATOM N N . SER C0 3 133 . 133 SER C0 N 0 13.832857 -9.5633955 -22.421398 1 4337 1 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 0 14.5683 -10.253866 -23.47105 1 4338 1 +ATOM C C . SER C0 3 133 . 133 SER C0 C 0 15.747893 -9.405899 -23.944008 1 4339 1 +ATOM O O . SER C0 3 133 . 133 SER C0 O 0 15.753024 -8.179328 -23.78828 1 4340 1 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 0 13.643433 -10.585336 -24.645184 1 4341 1 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 0 13.194893 -9.409958 -25.288445 1 4342 1 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 0 16.72377 -10.090429 -24.517128 1 4343 1 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 0 17.894112 -9.392799 -25.01128 1 4344 1 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 0 18.919582 -10.367903 -25.5489 1 4345 1 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 0 18.644527 -11.560234 -25.707249 1 4346 1 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 0 20.110104 -9.851838 -25.85368 1 4347 1 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 0 21.214886 -10.678611 -26.32536 1 4348 1 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 0 22.03419 -11.172401 -25.144833 1 4349 1 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 0 22.13367 -10.480436 -24.126888 1 4350 1 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 0 22.107237 -9.889767 -27.291082 1 4351 1 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 0 21.405703 -9.492897 -28.579275 1 4352 1 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 0 22.330807 -8.654856 -29.475159 1 4353 1 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 0 23.51242 -9.470494 -29.98125 1 4354 1 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 0 24.371346 -8.68903 -30.892319 1 4355 1 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 0 22.605827 -12.350868 -25.29649 1 4356 1 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 0 23.403515 -12.927788 -24.224358 1 4357 1 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 0 24.71812 -13.464916 -24.779812 1 4358 1 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 0 24.767635 -13.964186 -25.902176 1 4359 1 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 0 22.640423 -14.040738 -23.517685 1 4360 1 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 0 25.758507 -13.365771 -23.986197 1 4361 1 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 0 27.071568 -13.872005 -24.360565 1 4362 1 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 0 27.739536 -14.434397 -23.117893 1 4363 1 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 0 27.782057 -13.76399 -22.082699 1 4364 1 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 0 27.93304 -12.753656 -24.962479 1 4365 1 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 0 29.338768 -13.193746 -25.337708 1 4366 1 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 0 30.227448 -12.003976 -25.71753 1 4367 1 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 0 29.72893 -11.279254 -26.957996 1 4368 1 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 0 30.639996 -10.1737385 -27.330425 1 4369 1 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 0 28.236664 -15.656029 -23.225574 1 4370 1 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 0 29.017761 -16.231688 -22.137913 1 4371 1 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 0 30.47828 -16.2169 -22.556604 1 4372 1 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 0 30.858442 -16.88577 -23.524061 1 4373 1 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 0 28.560183 -17.656143 -21.810028 1 4374 1 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 0 29.309778 -18.247482 -20.607948 1 4375 1 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 0 28.807861 -19.606876 -20.181694 1 4376 1 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 0 28.53564 -20.441954 -21.05849 1 4377 1 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 0 28.681616 -19.853113 -18.95919 1 4378 1 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 0 31.266163 -15.431904 -21.871881 1 4379 1 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 0 32.68162 -15.294195 -22.181164 1 4380 1 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 0 33.46109 -16.308512 -21.353088 1 4381 1 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 0 33.63108 -16.14187 -20.141865 1 4382 1 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 0 33.17848 -13.860367 -21.90373 1 4383 1 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 0 34.641266 -13.724237 -22.318682 1 4384 1 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 0 32.311024 -12.84384 -22.641872 1 4385 1 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 0 33.882538 -17.355156 -22.014305 1 4386 1 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 0 34.664635 -18.399101 -21.375301 1 4387 1 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 0 36.143303 -18.183956 -21.705206 1 4388 1 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 0 36.497055 -17.237814 -22.41214 1 4389 1 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 0 34.19581 -19.778296 -21.846775 1 4390 1 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 0 32.734818 -20.084785 -21.54122 1 4391 1 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 0 32.229637 -21.262856 -22.360725 1 4392 1 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 0 32.55302 -20.337563 -20.048359 1 4393 1 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 0 36.99402 -19.036251 -21.206215 1 4394 1 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 0 38.419487 -18.869972 -21.4618 1 4395 1 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 0 38.74962 -19.314484 -22.895885 1 4396 1 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 0 38.68666 -20.49472 -23.214989 1 4397 1 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 0 39.25751 -19.665236 -20.460882 1 4398 1 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 0 40.752914 -19.370249 -20.56961 1 4399 1 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 0 41.537964 -20.036467 -19.454588 1 4400 1 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 0 43.013065 -19.670784 -19.550991 1 4401 1 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 0 43.801975 -20.26416 -18.465775 1 4402 1 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 0 39.04126 -18.335043 -23.727726 1 4403 1 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 0 39.448654 -18.624784 -25.0834 1 4404 1 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 0 38.34619 -18.631306 -26.125154 1 4405 1 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 0 38.64435 -18.691946 -27.32682 1 4406 1 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 0 37.101044 -18.598198 -25.723465 1 4407 1 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 0 35.9944 -18.587042 -26.683334 1 4408 1 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 0 34.7277 -18.094643 -26.00945 1 4409 1 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 0 34.66932 -17.952747 -24.78141 1 4410 1 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 0 35.778717 -19.977444 -27.297016 1 4411 1 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 0 35.361748 -21.056068 -26.315628 1 4412 1 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 0 36.28897 -21.64094 -25.457378 1 4413 1 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 0 34.04787 -21.506638 -26.270807 1 4414 1 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 0 35.914055 -22.633743 -24.574419 1 4415 1 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 0 33.665104 -22.504944 -25.39156 1 4416 1 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 0 34.60315 -23.062927 -24.543573 1 4417 1 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 0 34.234722 -24.051258 -23.666641 1 4418 1 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 0 33.710197 -17.833601 -26.82455 1 4419 1 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 0 32.444664 -17.34309 -26.300798 1 4420 1 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 0 31.290194 -18.150608 -26.872757 1 4421 1 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 0 31.388308 -18.734997 -27.956861 1 4422 1 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 0 32.230835 -15.844155 -26.62498 1 4423 1 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 0 32.012177 -15.637226 -28.113602 1 4424 1 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 0 33.41063 -15.012689 -26.14241 1 4425 1 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 0 30.216812 -18.190495 -26.11306 1 4426 1 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 0 28.955532 -18.743011 -26.57428 1 4427 1 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 0 27.960472 -17.592102 -26.618397 1 4428 1 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 0 27.892237 -16.789436 -25.6809 1 4429 1 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 0 28.439259 -19.831825 -25.626995 1 4430 1 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 0 29.371809 -21.016006 -25.359402 1 4431 1 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 0 28.693092 -22.014887 -24.431229 1 4432 1 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 0 29.789072 -21.691952 -26.654919 1 4433 1 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 0 27.214642 -17.493984 -27.704275 1 4434 1 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 0 26.26198 -16.409328 -27.864048 1 4435 1 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 0 24.841661 -16.945602 -27.976473 1 4436 1 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 0 24.624252 -18.070814 -28.426746 1 4437 1 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 0 26.602379 -15.557817 -29.08609 1 4438 1 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 0 27.906576 -14.80052 -28.935623 1 4439 1 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 0 28.144901 -13.820903 -30.067108 1 4440 1 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 0 28.120266 -12.601255 -29.814926 1 4441 1 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 0 28.361721 -14.277327 -31.196426 1 4442 1 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 0 23.890013 -16.120617 -27.53377 1 4443 1 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 0 22.50438 -16.549253 -27.573685 1 4444 1 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 0 21.555532 -15.444962 -27.1691 1 4445 1 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 0 21.778376 -14.277495 -27.497824 1 4446 1 +ATOM N N . THR C0 3 148 . 148 THR C0 N 0 20.509804 -15.829216 -26.474915 1 4447 1 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 0 19.475716 -14.875391 -26.108892 1 4448 1 +ATOM C C . THR C0 3 148 . 148 THR C0 C 0 19.11901 -14.974433 -24.628874 1 4449 1 +ATOM O O . THR C0 3 148 . 148 THR C0 O 0 19.362743 -15.986414 -23.97713 1 4450 1 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 0 18.192894 -15.087141 -26.936876 1 4451 1 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 0 17.71529 -16.420334 -26.722311 1 4452 1 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 0 18.462551 -14.883139 -28.424984 1 4453 1 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 0 18.553936 -13.889045 -24.134129 1 4454 1 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 0 18.046402 -13.809052 -22.776844 1 4455 1 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 0 16.53447 -13.6586 -22.821474 1 4456 1 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 0 16.009502 -12.882892 -23.634485 1 4457 1 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 0 18.668468 -12.610344 -22.046135 1 4458 1 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 0 18.042957 -12.219164 -20.701809 1 4459 1 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 0 18.523129 -10.833899 -20.28453 1 4460 1 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 0 18.36697 -13.262071 -19.641003 1 4461 1 +ATOM N N . THR C0 3 150 . 150 THR C0 N 0 15.835337 -14.420481 -22.009674 1 4462 1 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 0 14.4161 -14.216753 -21.769278 1 4463 1 +ATOM C C . THR C0 3 150 . 150 THR C0 C 0 14.2465 -13.933493 -20.284246 1 4464 1 +ATOM O O . THR C0 3 150 . 150 THR C0 O 0 15.208671 -13.973897 -19.516474 1 4465 1 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 0 13.56961 -15.441853 -22.173906 1 4466 1 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 0 13.851625 -16.524036 -21.291855 1 4467 1 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 0 13.862426 -15.851458 -23.614897 1 4468 1 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 0 13.017561 -13.637372 -19.877405 1 4469 1 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 0 12.768874 -13.357488 -18.472477 1 4470 1 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 0 13.051363 -14.571204 -17.593903 1 4471 1 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 0 13.2915945 -14.425755 -16.390112 1 4472 1 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 0 11.325682 -12.887448 -18.278782 1 4473 1 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 0 13.039153 -15.75922 -18.199606 1 4474 1 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 0 13.19199 -16.99625 -17.440933 1 4475 1 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 0 14.594399 -17.598831 -17.496878 1 4476 1 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 0 15.024024 -18.239182 -16.536835 1 4477 1 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 0 12.189312 -18.041111 -17.924248 1 4478 1 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 0 10.735685 -17.66047 -17.66811 1 4479 1 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 0 9.761475 -18.72571 -18.129221 1 4480 1 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 0 8.543547 -18.554905 -17.936035 1 4481 1 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 0 10.197063 -19.7473 -18.69662 1 4482 1 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 0 15.291424 -17.410288 -18.617474 1 4483 1 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 0 16.579506 -18.08554 -18.736444 1 4484 1 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 0 17.446392 -17.478607 -19.825623 1 4485 1 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 0 16.978474 -16.702858 -20.66098 1 4486 1 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 0 16.365438 -19.56931 -19.04243 1 4487 1 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 0 15.694859 -19.837307 -20.380863 1 4488 1 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 0 15.487181 -21.323917 -20.596684 1 4489 1 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 0 14.750557 -21.567493 -21.9119 1 4490 1 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 0 14.499935 -23.000204 -22.13544 1 4491 1 +ATOM N N . THR C0 3 154 . 154 THR C0 N 0 18.706646 -17.881382 -19.768055 1 4492 1 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 0 19.668304 -17.55849 -20.805344 1 4493 1 +ATOM C C . THR C0 3 154 . 154 THR C0 C 0 19.826746 -18.798927 -21.680305 1 4494 1 +ATOM O O . THR C0 3 154 . 154 THR C0 O 0 20.003988 -19.90056 -21.158283 1 4495 1 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 0 21.036558 -17.171217 -20.209057 1 4496 1 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 0 20.890472 -16.03447 -19.367683 1 4497 1 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 0 22.060131 -16.884836 -21.296627 1 4498 1 +ATOM N N . THR C0 3 155 . 155 THR C0 N 0 19.7344 -18.63959 -22.996925 1 4499 1 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 0 19.911407 -19.756556 -23.91502 1 4500 1 +ATOM C C . THR C0 3 155 . 155 THR C0 C 0 21.082855 -19.44115 -24.844128 1 4501 1 +ATOM O O . THR C0 3 155 . 155 THR C0 O 0 21.019468 -18.491003 -25.62699 1 4502 1 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 0 18.639194 -20.015102 -24.738518 1 4503 1 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 0 17.563438 -20.329937 -23.852335 1 4504 1 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 0 18.853813 -21.181461 -25.703465 1 4505 1 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 0 22.147234 -20.242628 -24.739548 1 4506 1 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 0 23.34653 -20.06363 -25.546783 1 4507 1 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 0 23.37439 -21.155773 -26.610708 1 4508 1 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 0 23.247427 -22.339664 -26.290442 1 4509 1 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 0 24.593014 -20.12022 -24.66803 1 4510 1 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 0 24.586697 -19.08133 -23.538765 1 4511 1 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 0 25.506538 -19.49402 -22.404068 1 4512 1 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 0 24.950245 -17.710255 -24.077284 1 4513 1 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 0 23.54005 -20.755428 -27.86366 1 4514 1 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 0 23.360603 -21.67385 -28.982494 1 4515 1 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 0 24.652676 -21.847584 -29.784025 1 4516 1 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 0 25.354004 -20.873596 -30.062948 1 4517 1 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 0 22.227993 -21.187622 -29.910097 1 4518 1 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 0 22.113201 -22.07887 -31.142565 1 4519 1 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 0 20.907166 -21.145395 -29.157158 1 4520 1 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 0 24.937588 -23.089458 -30.145344 1 4521 1 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 0 26.03751 -23.41298 -31.044834 1 4522 1 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 0 25.448246 -24.213598 -32.20041 1 4523 1 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 0 24.808056 -25.246582 -31.976063 1 4524 1 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 0 27.13501 -24.234875 -30.343021 1 4525 1 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 0 28.260435 -24.551737 -31.325283 1 4526 1 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 0 27.66872 -23.491135 -29.13115 1 4527 1 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 0 25.643301 -23.742962 -33.413273 1 4528 1 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 0 25.102417 -24.410458 -34.58493 1 4529 1 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 0 26.21707 -25.016819 -35.4354 1 4530 1 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 0 27.252058 -24.381556 -35.658203 1 4531 1 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 0 24.277042 -23.44265 -35.44098 1 4532 1 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 0 23.027887 -22.922894 -34.75734 1 4533 1 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 0 22.250977 -21.989466 -35.680733 1 4534 1 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 0 20.997833 -21.472034 -34.996582 1 4535 1 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 0 20.248356 -20.536695 -35.863136 1 4536 1 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 0 25.99249 -26.233229 -35.899887 1 4537 1 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 0 26.91566 -26.91869 -36.800224 1 4538 1 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 0 26.081478 -27.757961 -37.759308 1 4539 1 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 0 25.53926 -28.786926 -37.37155 1 4540 1 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 0 27.894264 -27.793173 -36.0248 1 4541 1 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 0 28.828423 -28.606165 -36.914364 1 4542 1 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 0 29.703938 -27.77738 -37.82248 1 4543 1 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 0 30.03083 -26.615433 -37.481277 1 4544 1 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 0 30.078325 -28.275467 -38.899673 1 4545 1 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 0 25.98035 -27.283075 -38.99399 1 4546 1 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 0 25.159122 -27.97173 -39.969612 1 4547 1 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 0 23.704178 -28.004116 -39.538628 1 4548 1 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 0 23.105335 -26.961046 -39.272926 1 4549 1 +ATOM N N . THR C0 3 162 . 162 THR C0 N 0 23.150581 -29.208965 -39.458824 1 4550 1 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 0 21.764153 -29.37843 -39.05069 1 4551 1 +ATOM C C . THR C0 3 162 . 162 THR C0 C 0 21.595425 -29.479416 -37.536835 1 4552 1 +ATOM O O . THR C0 3 162 . 162 THR C0 O 0 20.462765 -29.606373 -37.04167 1 4553 1 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 0 21.156466 -30.636658 -39.693665 1 4554 1 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 0 21.911503 -31.78237 -39.27822 1 4555 1 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 0 21.18924 -30.56511 -41.224403 1 4556 1 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 0 22.705292 -29.430273 -36.817215 1 4557 1 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 0 22.684227 -29.634674 -35.37326 1 4558 1 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 0 22.698055 -28.299366 -34.62513 1 4559 1 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 0 23.473326 -27.399685 -34.960316 1 4560 1 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 0 23.873854 -30.5029 -34.91774 1 4561 1 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 0 23.834879 -30.716984 -33.406296 1 4562 1 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 0 23.875423 -31.84151 -35.638306 1 4563 1 +ATOM N N . THR C0 3 164 . 164 THR C0 N 0 21.836424 -28.191004 -33.624115 1 4564 1 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 0 21.816525 -27.0263 -32.74874 1 4565 1 +ATOM C C . THR C0 3 164 . 164 THR C0 C 0 21.944525 -27.49736 -31.307673 1 4566 1 +ATOM O O . THR C0 3 164 . 164 THR C0 O 0 21.12201 -28.288265 -30.835697 1 4567 1 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 0 20.517094 -26.220684 -32.919037 1 4568 1 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 0 20.430088 -25.728241 -34.258026 1 4569 1 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 0 20.483208 -25.04331 -31.954544 1 4570 1 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 0 22.987484 -27.02872 -30.62175 1 4571 1 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 0 23.167244 -27.307 -29.207699 1 4572 1 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 0 22.752527 -26.072784 -28.426527 1 4573 1 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 0 23.193937 -24.95776 -28.739315 1 4574 1 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 0 24.62368 -27.667229 -28.90451 1 4575 1 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 0 24.963356 -28.0087 -27.459713 1 4576 1 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 0 25.904575 -29.210941 -27.395077 1 4577 1 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 0 25.574503 -26.802954 -26.742332 1 4578 1 +ATOM N N . SER C0 3 166 . 166 SER C0 N 0 21.894173 -26.252502 -27.437277 1 4579 1 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 0 21.413963 -25.14455 -26.624796 1 4580 1 +ATOM C C . SER C0 3 166 . 166 SER C0 C 0 21.793701 -25.361023 -25.16737 1 4581 1 +ATOM O O . SER C0 3 166 . 166 SER C0 O 0 21.40997 -26.362019 -24.5635 1 4582 1 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 0 19.897032 -25.00285 -26.75177 1 4583 1 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 0 19.525616 -24.71868 -28.09287 1 4584 1 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 0 22.557453 -24.427216 -24.627256 1 4585 1 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 0 22.92526 -24.445765 -23.219175 1 4586 1 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 0 22.032236 -23.454687 -22.490955 1 4587 1 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 0 22.038734 -22.2551 -22.807552 1 4588 1 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 0 24.404373 -24.071548 -23.035658 1 4589 1 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 0 24.829304 -23.965519 -21.580833 1 4590 1 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 0 26.27928 -23.517298 -21.475464 1 4591 1 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 0 26.673004 -23.297953 -20.021786 1 4592 1 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 0 28.046038 -22.825127 -19.913326 1 4593 1 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 0 21.261185 -23.939724 -21.547348 1 4594 1 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 0 20.323755 -23.105165 -20.802078 1 4595 1 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 0 20.831314 -22.838776 -19.391796 1 4596 1 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 0 21.252937 -23.754665 -18.688255 1 4597 1 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 0 18.948822 -23.771347 -20.734802 1 4598 1 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 0 18.351341 -24.002256 -22.103127 1 4599 1 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 0 18.4007 -23.122082 -22.968643 1 4600 1 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 0 17.785267 -25.170956 -22.33373 1 4601 1 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 0 20.802204 -21.571758 -18.990675 1 4602 1 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 0 21.146778 -21.174229 -17.632881 1 4603 1 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 0 19.893747 -20.551537 -17.019709 1 4604 1 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 0 19.451818 -19.483513 -17.454876 1 4605 1 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 0 22.31726 -20.16938 -17.607666 1 4606 1 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 0 23.529705 -20.752838 -18.33613 1 4607 1 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 0 22.681486 -19.828388 -16.163467 1 4608 1 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 0 24.675766 -19.772964 -18.49068 1 4609 1 +ATOM N N . SER C0 3 170 . 170 SER C0 N 0 19.312378 -21.232643 -16.046223 1 4610 1 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 0 18.082413 -20.767895 -15.426644 1 4611 1 +ATOM C C . SER C0 3 170 . 170 SER C0 C 0 18.341492 -19.583288 -14.502965 1 4612 1 +ATOM O O . SER C0 3 170 . 170 SER C0 O 0 19.490017 -19.20683 -14.254755 1 4613 1 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 0 17.42066 -21.90415 -14.646023 1 4614 1 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 0 18.180656 -22.21976 -13.497556 1 4615 1 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 0 17.270895 -18.991608 -13.990221 1 4616 1 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 0 17.389223 -17.875015 -13.069081 1 4617 1 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 0 18.15821 -18.263325 -11.815208 1 4618 1 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 0 18.837679 -17.425163 -11.216835 1 4619 1 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 0 15.999214 -17.344425 -12.692006 1 4620 1 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 0 15.269165 -16.663874 -13.834808 1 4621 1 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 0 13.840164 -16.294065 -13.44166 1 4622 1 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 0 13.817252 -15.278287 -12.306782 1 4623 1 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 0 12.434519 -14.905245 -11.93231 1 4624 1 +ATOM N N . SER C0 3 172 . 172 SER C0 N 0 18.050568 -19.530708 -11.42484 1 4625 1 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 0 18.759365 -20.025524 -10.241932 1 4626 1 +ATOM C C . SER C0 3 172 . 172 SER C0 C 0 20.211655 -20.37775 -10.540085 1 4627 1 +ATOM O O . SER C0 3 172 . 172 SER C0 O 0 20.956161 -20.733503 -9.620224 1 4628 1 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 0 18.043427 -21.249321 -9.669876 1 4629 1 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 0 18.074917 -22.326712 -10.576088 1 4630 1 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 0 20.614845 -20.284908 -11.796513 1 4631 1 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 0 21.97858 -20.60833 -12.184089 1 4632 1 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 0 22.179426 -22.040731 -12.604721 1 4633 1 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 0 23.296957 -22.435944 -12.937654 1 4634 1 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 0 21.11137 -22.843803 -12.613918 1 4635 1 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 0 21.217525 -24.247793 -13.002814 1 4636 1 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 0 21.399263 -24.35865 -14.509228 1 4637 1 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 0 20.69572 -23.700727 -15.280403 1 4638 1 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 0 19.976791 -25.025812 -12.55677 1 4639 1 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 0 20.060661 -26.50505 -12.871253 1 4640 1 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 0 18.847975 -27.287386 -12.390204 1 4641 1 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 0 18.060982 -26.732847 -11.58856 1 4642 1 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 0 18.675594 -28.452736 -12.796558 1 4643 1 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 0 22.325096 -25.221512 -14.918264 1 4644 1 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 0 22.642017 -25.411444 -16.32499 1 4645 1 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 0 22.00082 -26.688686 -16.848713 1 4646 1 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 0 22.004677 -27.718134 -16.173107 1 4647 1 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 0 24.16812 -25.456814 -16.553059 1 4648 1 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 0 24.48804 -25.783194 -18.009708 1 4649 1 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 0 24.806416 -24.143608 -16.146154 1 4650 1 +ATOM N N . SER C0 3 176 . 176 SER C0 N 0 21.448597 -26.616379 -18.039299 1 4651 1 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 0 20.955431 -27.789423 -18.749296 1 4652 1 +ATOM C C . SER C0 3 176 . 176 SER C0 C 0 21.314846 -27.62296 -20.218363 1 4653 1 +ATOM O O . SER C0 3 176 . 176 SER C0 O 0 21.41499 -26.498022 -20.718502 1 4654 1 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 0 19.446365 -27.971394 -18.58115 1 4655 1 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 0 18.744413 -26.915592 -19.189617 1 4656 1 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 0 21.546581 -28.733124 -20.894615 1 4657 1 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 0 21.949223 -28.679255 -22.29258 1 4658 1 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 0 21.072315 -29.624718 -23.104187 1 4659 1 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 0 20.79219 -30.747124 -22.680674 1 4660 1 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 0 23.436453 -29.049093 -22.47778 1 4661 1 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 0 23.855938 -28.885357 -23.932056 1 4662 1 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 0 24.315926 -28.19673 -21.574734 1 4663 1 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 0 20.641228 -29.168446 -24.259993 1 4664 1 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 0 19.833702 -29.98878 -25.144392 1 4665 1 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 0 20.382572 -29.879147 -26.56245 1 4666 1 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 0 21.062557 -28.91231 -26.913725 1 4667 1 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 0 18.35762 -29.578186 -25.105568 1 4668 1 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 0 18.096771 -28.142668 -25.51085 1 4669 1 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 0 16.653599 -27.722832 -25.286709 1 4670 1 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 0 15.890081 -28.501085 -24.673903 1 4671 1 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 0 16.27443 -26.611485 -25.707735 1 4672 1 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 0 20.073421 -30.90325 -27.370092 1 4673 1 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 0 20.547817 -30.949642 -28.74506 1 4674 1 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 0 19.392525 -31.262821 -29.678001 1 4675 1 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 0 18.575375 -32.137684 -29.387516 1 4676 1 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 0 21.653494 -32.00457 -28.889633 1 4677 1 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 0 22.347063 -32.139244 -30.247759 1 4678 1 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 0 23.808681 -32.504105 -30.06866 1 4679 1 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 0 21.639666 -33.153435 -31.145805 1 4680 1 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 0 19.324472 -30.532341 -30.782297 1 4681 1 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 0 18.310802 -30.769188 -31.795311 1 4682 1 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 0 18.982853 -30.906956 -33.156754 1 4683 1 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 0 19.84505 -30.09639 -33.509068 1 4684 1 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 0 17.285091 -29.63275 -31.820797 1 4685 1 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 0 16.189709 -29.858063 -32.8376 1 4686 1 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 0 15.470644 -30.853065 -32.766132 1 4687 1 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 0 16.043034 -28.968628 -33.786823 1 4688 1 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 0 18.607231 -31.937767 -33.901253 1 4689 1 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 0 19.178719 -32.186844 -35.21734 1 4690 1 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 0 18.04586 -32.322083 -36.232777 1 4691 1 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 0 17.173805 -33.172447 -36.074764 1 4692 1 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 0 20.038353 -33.457813 -35.195057 1 4693 1 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 0 20.877613 -33.62732 -36.451797 1 4694 1 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 0 20.734737 -32.821236 -37.401264 1 4695 1 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 0 21.69089 -34.579346 -36.501965 1 4696 1 +ATOM N N . THR C0 3 182 . 182 THR C0 N 0 18.061317 -31.491833 -37.269142 1 4697 1 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 0 17.031567 -31.529675 -38.29765 1 4698 1 +ATOM C C . THR C0 3 182 . 182 THR C0 C 0 17.362713 -32.50418 -39.42249 1 4699 1 +ATOM O O . THR C0 3 182 . 182 THR C0 O 0 16.6183 -32.590813 -40.407776 1 4700 1 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 0 16.80045 -30.123686 -38.896004 1 4701 1 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 0 18.028492 -29.638819 -39.42958 1 4702 1 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 0 16.300552 -29.160915 -37.82455 1 4703 1 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 0 18.474966 -33.239006 -39.295464 1 4704 1 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 0 18.868294 -34.231728 -40.298954 1 4705 1 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 0 17.7556 -35.26904 -40.43492 1 4706 1 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 0 17.290955 -35.816048 -39.440044 1 4707 1 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 0 20.179543 -34.898094 -39.889164 1 4708 1 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 0 20.833767 -35.672287 -41.02179 1 4709 1 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 0 20.115269 -36.170425 -41.917225 1 4710 1 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 0 22.078686 -35.790585 -41.018368 1 4711 1 +ATOM N N . SER C0 3 184 . 184 SER C0 N 0 17.340837 -35.549458 -41.689285 1 4712 1 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 0 16.248749 -36.49479 -41.918457 1 4713 1 +ATOM C C . SER C0 3 184 . 184 SER C0 C 0 16.7197 -37.94453 -41.927197 1 4714 1 +ATOM O O . SER C0 3 184 . 184 SER C0 O 0 15.889418 -38.858257 -41.87865 1 4715 1 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 0 15.548201 -36.175728 -43.24297 1 4716 1 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 0 16.46135 -36.259525 -44.32186 1 4717 1 +ATOM N N . SER C0 3 185 . 185 SER C0 N 0 18.029308 -38.194122 -42.00809 1 4718 1 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 0 18.574833 -39.548294 -42.06974 1 4719 1 +ATOM C C . SER C0 3 185 . 185 SER C0 C 0 18.826916 -40.099945 -40.67 1 4720 1 +ATOM O O . SER C0 3 185 . 185 SER C0 O 0 19.583359 -39.509224 -39.8964 1 4721 1 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 0 19.865257 -39.567318 -42.875916 1 4722 1 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 0 20.475582 -40.846947 -42.82785 1 4723 1 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 0 18.242277 -41.251526 -40.37646 1 4724 1 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 0 18.434269 -41.88433 -39.07666 1 4725 1 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 0 19.879318 -42.32065 -38.870163 1 4726 1 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 0 20.33587 -42.44376 -37.73015 1 4727 1 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 0 17.501125 -43.080276 -38.931244 1 4728 1 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 0 20.604094 -42.561665 -39.96558 1 4729 1 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 0 21.97881 -43.033443 -39.874763 1 4730 1 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 0 22.947319 -41.923912 -39.45986 1 4731 1 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 0 24.018406 -42.21357 -38.92981 1 4732 1 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 0 22.409937 -43.63893 -41.207375 1 4733 1 +ATOM N N . THR C0 3 188 . 188 THR C0 N 0 22.584309 -40.670334 -39.688858 1 4734 1 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 0 23.47395 -39.556828 -39.37563 1 4735 1 +ATOM C C . THR C0 3 188 . 188 THR C0 C 0 22.873837 -38.567673 -38.374542 1 4736 1 +ATOM O O . THR C0 3 188 . 188 THR C0 O 0 23.59083 -37.68726 -37.88464 1 4737 1 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 0 23.863354 -38.79413 -40.656624 1 4738 1 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 0 22.669388 -38.345844 -41.301727 1 4739 1 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 0 24.64788 -39.693405 -41.60661 1 4740 1 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 0 21.593904 -38.718285 -38.07682 1 4741 1 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 0 20.9368 -37.78115 -37.160526 1 4742 1 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 0 21.483139 -37.940342 -35.7389 1 4743 1 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 0 21.541573 -39.05175 -35.20409 1 4744 1 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 0 19.419464 -38.00701 -37.169456 1 4745 1 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 0 18.64292 -36.990906 -36.351593 1 4746 1 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 0 17.147085 -37.163506 -36.58129 1 4747 1 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 0 16.374102 -36.055702 -35.87774 1 4748 1 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 0 14.934694 -36.13547 -36.17442 1 4749 1 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 0 21.88356 -36.834194 -35.15842 1 4750 1 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 0 22.416653 -36.82338 -33.7957 1 4751 1 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 0 21.306087 -36.67871 -32.77345 1 4752 1 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 0 20.382961 -35.883537 -32.963303 1 4753 1 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 0 23.437141 -35.697304 -33.60296 1 4754 1 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 0 24.787537 -35.944023 -34.26404 1 4755 1 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 0 24.720837 -35.672558 -35.76375 1 4756 1 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 0 26.098982 -35.84244 -36.40301 1 4757 1 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 0 26.006979 -35.640083 -37.872375 1 4758 1 +ATOM N N . THR C0 3 191 . 191 THR C0 N 0 21.389894 -37.44687 -31.717026 1 4759 1 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 0 20.50716 -37.307953 -30.569881 1 4760 1 +ATOM C C . THR C0 3 191 . 191 THR C0 C 0 21.382885 -37.190773 -29.326622 1 4761 1 +ATOM O O . THR C0 3 191 . 191 THR C0 O 0 22.57447 -37.492897 -29.36599 1 4762 1 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 0 19.54071 -38.500416 -30.428352 1 4763 1 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 0 20.297201 -39.69819 -30.275137 1 4764 1 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 0 18.644508 -38.623695 -31.65921 1 4765 1 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 0 20.80005 -36.718887 -28.237762 1 4766 1 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 0 21.6027 -36.54608 -27.03578 1 4767 1 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 0 20.748451 -36.676487 -25.785156 1 4768 1 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 0 19.548323 -36.414177 -25.809116 1 4769 1 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 0 22.303709 -35.194435 -27.045557 1 4770 1 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 0 21.389545 -37.104694 -24.710897 1 4771 1 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 0 20.7498 -37.236053 -23.41352 1 4772 1 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 0 21.53254 -36.409145 -22.398943 1 4773 1 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 0 22.7597 -36.50513 -22.323658 1 4774 1 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 0 20.687748 -38.69845 -22.980162 1 4775 1 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 0 20.79342 -35.60125 -21.627525 1 4776 1 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 0 21.423225 -34.747734 -20.625801 1 4777 1 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 0 21.300749 -35.371864 -19.24316 1 4778 1 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 0 20.20622 -35.797382 -18.847034 1 4779 1 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 0 20.792612 -33.357315 -20.627718 1 4780 1 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 0 21.241909 -32.46039 -19.528479 1 4781 1 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 0 20.49052 -32.03287 -18.468662 1 4782 1 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 0 22.518951 -31.852165 -19.365639 1 4783 1 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 0 21.227901 -31.192709 -17.672722 1 4784 1 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 0 22.472271 -31.069666 -18.19803 1 4785 1 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 0 23.71436 -31.907892 -20.110058 1 4786 1 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 0 23.573399 -30.33281 -17.74582 1 4787 1 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 0 24.81245 -31.17372 -19.67054 1 4788 1 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 0 24.727528 -30.40523 -18.503796 1 4789 1 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 0 22.392462 -35.441372 -18.536213 1 4790 1 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 0 22.4197 -35.937874 -17.162113 1 4791 1 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 0 22.798096 -34.777657 -16.248661 1 4792 1 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 0 23.959549 -34.370064 -16.205406 1 4793 1 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 0 23.417013 -37.09375 -17.028465 1 4794 1 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 0 23.353352 -37.763638 -15.670784 1 4795 1 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 0 23.189997 -37.099556 -14.650265 1 4796 1 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 0 23.492378 -39.087833 -15.647137 1 4797 1 +ATOM N N . SER C0 3 196 . 196 SER C0 N 0 21.798922 -34.240425 -15.539085 1 4798 1 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 0 22.036018 -33.077583 -14.695883 1 4799 1 +ATOM C C . SER C0 3 196 . 196 SER C0 C 0 22.936943 -33.389145 -13.509638 1 4800 1 +ATOM O O . SER C0 3 196 . 196 SER C0 O 0 23.626442 -32.502842 -13.000638 1 4801 1 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 0 20.704983 -32.505585 -14.211604 1 4802 1 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 0 19.996819 -33.456284 -13.442617 1 4803 1 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 0 22.937344 -34.64501 -13.055087 1 4804 1 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 0 23.770649 -35.02178 -11.929707 1 4805 1 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 0 25.251825 -34.950985 -12.224603 1 4806 1 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 0 26.055887 -34.629753 -11.347174 1 4807 1 +ATOM N N . THR C0 3 198 . 198 THR C0 N 0 25.62392 -35.261093 -13.465033 1 4808 1 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 0 27.018097 -35.233215 -13.878426 1 4809 1 +ATOM C C . THR C0 3 198 . 198 THR C0 C 0 27.326023 -34.090965 -14.842895 1 4810 1 +ATOM O O . THR C0 3 198 . 198 THR C0 O 0 28.46704 -33.944633 -15.27873 1 4811 1 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 0 27.422281 -36.56456 -14.535812 1 4812 1 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 0 26.578829 -36.80717 -15.670668 1 4813 1 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 0 27.284517 -37.73182 -13.562936 1 4814 1 +ATOM N N . SER C0 3 199 . 199 SER C0 N 0 26.318619 -33.302654 -15.170505 1 4815 1 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 0 26.466276 -32.204582 -16.126268 1 4816 1 +ATOM C C . SER C0 3 199 . 199 SER C0 C 0 27.05975 -32.701187 -17.438519 1 4817 1 +ATOM O O . SER C0 3 199 . 199 SER C0 O 0 27.970013 -32.09105 -18.000217 1 4818 1 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 0 27.322042 -31.085747 -15.533379 1 4819 1 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 0 26.741497 -30.568703 -14.3536215 1 4820 1 +ATOM N N . THR C0 3 200 . 200 THR C0 N 0 26.519577 -33.809265 -17.915253 1 4821 1 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 0 27.05663 -34.471367 -19.095556 1 4822 1 +ATOM C C . THR C0 3 200 . 200 THR C0 C 0 26.001797 -34.590286 -20.189 1 4823 1 +ATOM O O . THR C0 3 200 . 200 THR C0 O 0 24.879555 -35.02366 -19.92503 1 4824 1 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 0 27.58656 -35.868614 -18.7425 1 4825 1 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 0 28.59985 -35.75293 -17.748192 1 4826 1 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 0 28.161972 -36.56575 -19.972301 1 4827 1 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 0 26.398092 -34.24108 -21.410856 1 4828 1 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 0 25.567467 -34.444984 -22.590454 1 4829 1 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 0 26.171545 -35.588924 -23.388416 1 4830 1 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 0 27.29628 -35.4821 -23.87331 1 4831 1 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 0 25.50697 -33.184544 -23.454536 1 4832 1 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 0 24.522856 -33.233315 -24.62535 1 4833 1 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 0 24.885838 -32.22474 -25.705723 1 4834 1 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 0 23.10196 -33.011814 -24.118835 1 4835 1 +ATOM N N . THR C0 3 202 . 202 THR C0 N 0 25.428017 -36.675026 -23.508976 1 4836 1 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 0 25.90719 -37.83313 -24.25235 1 4837 1 +ATOM C C . THR C0 3 202 . 202 THR C0 C 0 25.287678 -37.8119 -25.644012 1 4838 1 +ATOM O O . THR C0 3 202 . 202 THR C0 O 0 24.062689 -37.9029 -25.781841 1 4839 1 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 0 25.550692 -39.14164 -23.528141 1 4840 1 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 0 26.150097 -39.13331 -22.232418 1 4841 1 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 0 26.05753 -40.347855 -24.314175 1 4842 1 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 0 26.140055 -37.716564 -26.658775 1 4843 1 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 0 25.676521 -37.64266 -28.040142 1 4844 1 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 0 25.661753 -39.0381 -28.650978 1 4845 1 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 0 26.620884 -39.7967 -28.507626 1 4846 1 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 0 26.561285 -36.69805 -28.875519 1 4847 1 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 0 26.529707 -35.29394 -28.268265 1 4848 1 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 0 26.102097 -36.670803 -30.34211 1 4849 1 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 0 27.43967 -34.296345 -28.974445 1 4850 1 +ATOM N N . THR C0 3 204 . 204 THR C0 N 0 24.575047 -39.34886 -29.35159 1 4851 1 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 0 24.39049 -40.651314 -29.97335 1 4852 1 +ATOM C C . THR C0 3 204 . 204 THR C0 C 0 24.104313 -40.480145 -31.461227 1 4853 1 +ATOM O O . THR C0 3 204 . 204 THR C0 O 0 23.328285 -39.601105 -31.845985 1 4854 1 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 0 23.240448 -41.42198 -29.309128 1 4855 1 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 0 23.555288 -41.644135 -27.93386 1 4856 1 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 0 23.007473 -42.766052 -29.998756 1 4857 1 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 0 24.737514 -41.317627 -32.28244 1 4858 1 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 0 24.505886 -41.33568 -33.721676 1 4859 1 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 0 24.318256 -42.786407 -34.15809 1 4860 1 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 0 25.135798 -43.646255 -33.84673 1 4861 1 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 0 25.676292 -40.707752 -34.501564 1 4862 1 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 0 25.388794 -40.755997 -36.006233 1 4863 1 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 0 25.92802 -39.28142 -34.05722 1 4864 1 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 0 23.253197 -43.048225 -34.86513 1 4865 1 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 0 22.951729 -44.386402 -35.359013 1 4866 1 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 0 22.990726 -45.418102 -34.225975 1 4867 1 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 0 23.600933 -46.484463 -34.343777 1 4868 1 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 0 23.92684 -44.771446 -36.474083 1 4869 1 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 0 23.420124 -45.944496 -37.29696 1 4870 1 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 0 22.218065 -46.20213 -37.356846 1 4871 1 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 0 24.329374 -46.657257 -37.95615 1 4872 1 +ATOM N N . SER C0 3 207 . 207 SER C0 N 0 22.376135 -45.085396 -33.128925 1 4873 1 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 0 22.24747 -45.930878 -31.942516 1 4874 1 +ATOM C C . SER C0 3 207 . 207 SER C0 C 0 23.572598 -46.222813 -31.249214 1 4875 1 +ATOM O O . SER C0 3 207 . 207 SER C0 O 0 23.653091 -47.141262 -30.430683 1 4876 1 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 0 21.544853 -47.248512 -32.28064 1 4877 1 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 0 20.245909 -46.999596 -32.78561 1 4878 1 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 0 24.598337 -45.466812 -31.562183 1 4879 1 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 0 25.889671 -45.63324 -30.906618 1 4880 1 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 0 26.311651 -44.326653 -30.245487 1 4881 1 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 0 26.29224 -43.27095 -30.887714 1 4882 1 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 0 26.96444 -46.064686 -31.91657 1 4883 1 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 0 26.744755 -47.445625 -32.51593 1 4884 1 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 0 27.887398 -47.80313 -33.473 1 4885 1 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 0 27.68708 -49.1905 -34.07051 1 4886 1 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 0 28.76953 -49.537884 -34.99521 1 4887 1 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 0 26.68987 -44.437508 -28.985224 1 4888 1 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 0 27.203785 -43.26554 -28.29043 1 4889 1 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 0 28.535168 -42.86586 -28.922745 1 4890 1 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 0 29.383436 -43.719254 -29.192402 1 4891 1 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 0 27.378582 -43.542297 -26.799446 1 4892 1 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 0 26.077961 -43.80445 -26.068687 1 4893 1 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 0 26.347599 -44.11053 -24.599516 1 4894 1 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 0 25.042107 -44.386246 -23.86994 1 4895 1 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 0 25.27267 -44.713516 -22.446 1 4896 1 +ATOM N N . THR C0 3 210 . 210 THR C0 N 0 28.704002 -41.570724 -29.16497 1 4897 1 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 0 29.924805 -41.10185 -29.812033 1 4898 1 +ATOM C C . THR C0 3 210 . 210 THR C0 C 0 30.780918 -40.21869 -28.909397 1 4899 1 +ATOM O O . THR C0 3 210 . 210 THR C0 O 0 32.006287 -40.328907 -28.944345 1 4900 1 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 0 29.613705 -40.332153 -31.108498 1 4901 1 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 0 28.78851 -39.20763 -30.799292 1 4902 1 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 0 28.896587 -41.2238 -32.107872 1 4903 1 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 0 30.153038 -39.34105 -28.14957 1 4904 1 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 0 30.91304 -38.415703 -27.312004 1 4905 1 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 0 30.158808 -38.053566 -26.041931 1 4906 1 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 0 28.918753 -38.092407 -26.011549 1 4907 1 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 0 31.221268 -37.111065 -28.070587 1 4908 1 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 0 32.080635 -37.282562 -29.302036 1 4909 1 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 0 32.250298 -35.950306 -30.02673 1 4910 1 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 0 33.065704 -36.111 -31.301151 1 4911 1 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 0 32.32055 -36.881313 -32.302948 1 4912 1 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 0 30.908138 -37.69281 -25.038101 1 4913 1 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 0 30.370375 -37.08717 -23.82778 1 4914 1 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 0 30.914925 -35.67222 -23.743145 1 4915 1 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 0 32.1308 -35.46566 -23.777561 1 4916 1 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 0 30.791725 -37.873592 -22.58265 1 4917 1 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 0 29.79186 -38.931145 -22.176052 1 4918 1 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 0 28.822084 -39.167137 -22.924728 1 4919 1 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 0 29.984879 -39.534683 -21.091545 1 4920 1 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 0 30.026253 -34.701508 -23.647537 1 4921 1 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 0 30.420357 -33.323654 -23.394823 1 4922 1 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 0 30.086157 -33.02263 -21.93835 1 4923 1 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 0 28.920025 -33.13495 -21.534077 1 4924 1 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 0 29.679764 -32.347626 -24.317026 1 4925 1 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 0 30.010283 -32.40349 -25.801395 1 4926 1 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 0 29.07761 -31.47467 -26.574165 1 4927 1 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 0 31.45855 -32.015118 -26.05246 1 4928 1 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 0 31.085554 -32.672768 -21.15324 1 4929 1 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 0 30.873613 -32.384567 -19.741112 1 4930 1 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 0 31.02275 -30.881329 -19.511005 1 4931 1 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 0 32.051445 -30.294556 -19.856407 1 4932 1 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 0 31.857079 -33.162376 -18.845692 1 4933 1 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 0 31.610096 -32.829834 -17.379982 1 4934 1 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 0 31.728968 -34.66271 -19.087948 1 4935 1 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 0 29.984919 -30.28762 -18.947683 1 4936 1 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 0 29.989748 -28.859318 -18.642984 1 4937 1 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 0 30.337193 -28.709576 -17.168652 1 4938 1 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 0 29.47704 -28.864098 -16.30084 1 4939 1 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 0 28.627014 -28.248919 -18.983246 1 4940 1 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 0 28.303516 -28.30693 -20.452053 1 4941 1 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 0 27.937141 -29.500103 -21.046906 1 4942 1 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 0 28.39464 -27.171597 -21.246803 1 4943 1 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 0 27.661076 -29.565956 -22.403954 1 4944 1 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 0 28.114552 -27.232311 -22.602169 1 4945 1 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 0 27.747416 -28.431675 -23.184204 1 4946 1 +ATOM N N . THR C0 3 216 . 216 THR C0 N 0 31.58584 -28.401314 -16.875177 1 4947 1 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 0 32.109802 -28.442764 -15.51395 1 4948 1 +ATOM C C . THR C0 3 216 . 216 THR C0 C 0 31.674156 -27.22936 -14.6828785 1 4949 1 +ATOM O O . THR C0 3 216 . 216 THR C0 O 0 31.199753 -26.223331 -15.209192 1 4950 1 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 0 33.645256 -28.521568 -15.516239 1 4951 1 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 0 34.177948 -27.248825 -15.8792515 1 4952 1 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 0 34.14003 -29.577805 -16.492603 1 4953 1 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 0 31.878283 -27.368069 -13.374386 1 4954 1 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 0 31.553503 -26.291084 -12.452169 1 4955 1 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 0 32.552383 -25.140804 -12.539632 1 4956 1 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 0 32.291855 -24.062931 -12.005643 1 4957 1 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 0 31.491285 -26.826292 -11.016475 1 4958 1 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 0 30.362757 -27.82002 -10.798298 1 4959 1 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 0 30.322266 -28.301353 -9.353928 1 4960 1 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 0 29.173899 -29.281826 -9.135626 1 4961 1 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 0 29.12143 -29.764778 -7.741702 1 4962 1 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 0 33.680534 -25.356852 -13.193354 1 4963 1 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 0 34.682407 -24.31741 -13.408894 1 4964 1 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 0 34.464687 -23.61561 -14.746117 1 4965 1 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 0 35.357487 -22.950161 -15.245539 1 4966 1 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 0 36.097706 -24.892372 -13.350534 1 4967 1 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 0 36.562935 -25.256416 -11.943361 1 4968 1 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 0 35.833714 -26.442907 -11.35313 1 4969 1 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 0 35.49207 -26.398817 -10.167726 1 4970 1 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 0 35.592823 -27.42973 -12.099585 1 4971 1 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 0 33.281975 -23.781542 -15.298474 1 4972 1 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 0 32.876022 -23.143597 -16.546394 1 4973 1 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 0 33.764282 -23.523832 -17.720654 1 4974 1 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 0 34.11659 -22.695724 -18.557217 1 4975 1 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 0 32.822426 -21.624573 -16.375454 1 4976 1 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 0 31.856117 -21.207605 -15.297542 1 4977 1 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 0 30.729666 -21.710106 -15.242989 1 4978 1 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 0 32.27813 -20.309296 -14.432907 1 4979 1 +ATOM N N . THR C0 3 220 . 220 THR C0 N 0 34.13263 -24.795326 -17.755474 1 4980 1 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 0 34.853233 -25.353336 -18.88873 1 4981 1 +ATOM C C . THR C0 3 220 . 220 THR C0 C 0 34.01707 -26.47268 -19.486359 1 4982 1 +ATOM O O . THR C0 3 220 . 220 THR C0 O 0 33.10285 -26.995522 -18.844475 1 4983 1 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 0 36.23242 -25.907356 -18.482224 1 4984 1 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 0 36.054024 -26.957834 -17.536592 1 4985 1 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 0 37.11834 -24.821804 -17.887741 1 4986 1 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 0 34.33233 -26.826618 -20.732065 1 4987 1 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 0 33.669483 -27.940012 -21.392525 1 4988 1 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 0 34.74567 -28.940235 -21.789642 1 4989 1 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 0 35.76017 -28.561678 -22.373081 1 4990 1 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 0 32.884773 -27.486874 -22.639229 1 4991 1 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 0 31.910898 -26.36512 -22.281883 1 4992 1 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 0 32.143394 -28.664738 -23.270185 1 4993 1 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 0 31.234526 -25.729755 -23.496761 1 4994 1 +ATOM N N . THR C0 3 222 . 222 THR C0 N 0 34.5128 -30.200438 -21.463593 1 4995 1 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 0 35.433228 -31.248575 -21.874401 1 4996 1 +ATOM C C . THR C0 3 222 . 222 THR C0 C 0 34.715027 -32.216534 -22.798456 1 4997 1 +ATOM O O . THR C0 3 222 . 222 THR C0 O 0 33.48783 -32.363907 -22.738293 1 4998 1 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 0 36.006676 -32.02147 -20.672863 1 4999 1 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 0 34.95508 -32.731316 -20.020191 1 5000 1 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 0 36.686226 -31.0867 -19.6894 1 5001 1 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 0 35.485786 -32.86992 -23.65332 1 5002 1 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 0 34.920044 -33.85012 -24.57089 1 5003 1 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 0 35.718033 -35.146286 -24.436573 1 5004 1 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 0 36.93905 -35.12612 -24.292244 1 5005 1 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 0 34.9311 -33.353756 -26.033798 1 5006 1 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 0 34.272964 -34.3881 -26.955925 1 5007 1 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 0 36.341515 -33.05088 -26.502922 1 5008 1 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 0 35.016518 -36.25672 -24.444397 1 5009 1 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 0 35.647835 -37.571945 -24.384407 1 5010 1 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 0 34.933273 -38.49147 -25.353943 1 5011 1 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 0 33.700058 -38.489197 -25.432108 1 5012 1 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 0 35.59991 -38.141766 -22.965097 1 5013 1 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 0 36.417786 -39.411964 -22.809162 1 5014 1 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 0 36.54879 -39.860577 -21.365393 1 5015 1 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 0 35.826565 -39.38759 -20.496204 1 5016 1 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 0 37.48269 -40.772438 -21.096598 1 5017 1 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 0 35.73368 -39.285896 -26.099651 1 5018 1 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 0 35.19066 -40.16108 -27.13562 1 5019 1 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 0 34.78512 -41.514755 -26.583323 1 5020 1 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 0 35.40229 -42.02125 -25.647083 1 5021 1 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 0 36.21737 -40.36944 -28.253693 1 5022 1 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 0 36.768753 -39.088615 -28.859875 1 5023 1 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 0 35.727562 -38.307487 -29.62417 1 5024 1 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 0 34.891838 -38.88556 -30.318657 1 5025 1 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 0 35.768936 -36.99333 -29.489674 1 5026 1 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 0 33.74463 -42.083042 -27.193165 1 5027 1 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 0 33.38787 -43.470024 -26.93721 1 5028 1 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 0 34.11046 -44.35415 -27.943153 1 5029 1 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 0 34.59804 -43.883663 -28.979275 1 5030 1 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 0 31.881826 -43.690678 -27.06934 1 5031 1 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 0 31.085463 -43.27655 -25.849174 1 5032 1 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 0 30.714756 -41.96499 -25.654152 1 5033 1 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 0 30.70729 -44.219025 -24.906483 1 5034 1 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 0 29.985754 -41.58809 -24.54052 1 5035 1 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 0 29.980888 -43.851463 -23.795143 1 5036 1 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 0 29.624714 -42.53939 -23.616625 1 5037 1 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 0 28.908352 -42.18167 -22.5163 1 5038 1 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 0 34.21871 -45.651283 -27.63411 1 5039 1 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 0 34.8412 -46.570274 -28.576302 1 5040 1 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 0 33.95073 -46.718517 -29.802326 1 5041 1 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 0 32.83617 -46.177776 -29.846888 1 5042 1 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 0 35.13526 -47.92472 -27.925987 1 5043 1 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 0 33.896416 -48.667046 -27.45848 1 5044 1 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 0 32.763054 -48.246845 -27.770054 1 5045 1 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 0 34.06053 -49.7022 -26.765238 1 5046 1 +ATOM N N . SER C0 3 228 . 228 SER C0 N 0 34.41664 -47.425697 -30.82563 1 5047 1 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 0 33.70809 -47.547417 -32.09603 1 5048 1 +ATOM C C . SER C0 3 228 . 228 SER C0 C 0 32.328156 -48.176003 -31.935383 1 5049 1 +ATOM O O . SER C0 3 228 . 228 SER C0 O 0 31.446333 -47.93729 -32.758957 1 5050 1 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 0 34.54409 -48.35972 -33.08983 1 5051 1 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 0 34.79201 -49.666916 -32.610012 1 5052 1 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 0 32.142017 -48.965378 -30.907728 1 5053 1 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 0 30.848896 -49.584797 -30.650892 1 5054 1 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 0 29.953213 -48.71713 -29.76603 1 5055 1 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 0 28.797806 -49.065544 -29.541302 1 5056 1 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 0 31.03349 -50.966553 -30.002785 1 5057 1 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 0 31.681248 -51.96842 -30.939707 1 5058 1 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 0 31.395136 -51.98678 -32.133545 1 5059 1 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 0 32.56128 -52.81498 -30.41547 1 5060 1 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 0 30.477615 -47.615524 -29.257492 1 5061 1 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 0 29.726727 -46.724564 -28.395817 1 5062 1 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 0 29.368477 -47.332695 -27.061508 1 5063 1 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 0 28.350323 -46.962822 -26.47607 1 5064 1 +ATOM N N . THR C0 3 231 . 231 THR C0 N 0 30.189856 -48.238316 -26.572548 1 5065 1 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 0 29.886734 -48.962326 -25.347454 1 5066 1 +ATOM C C . THR C0 3 231 . 231 THR C0 C 0 30.613777 -48.415363 -24.119503 1 5067 1 +ATOM O O . THR C0 3 231 . 231 THR C0 O 0 30.125309 -48.568615 -22.996916 1 5068 1 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 0 30.205883 -50.46262 -25.495588 1 5069 1 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 0 31.57299 -50.615448 -25.868214 1 5070 1 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 0 29.32449 -51.100563 -26.564451 1 5071 1 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 0 31.788486 -47.81475 -24.315994 1 5072 1 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 0 32.542038 -47.2797 -23.186253 1 5073 1 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 0 33.405823 -46.1034 -23.627102 1 5074 1 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 0 33.77951 -45.997677 -24.794235 1 5075 1 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 0 33.409447 -48.363113 -22.535145 1 5076 1 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 0 34.51806 -48.900627 -23.430218 1 5077 1 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 0 35.327103 -49.96837 -22.69829 1 5078 1 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 0 36.43776 -50.50749 -23.59095 1 5079 1 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 0 37.22302 -51.54857 -22.906694 1 5080 1 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 0 33.69053 -45.2555 -22.665796 1 5081 1 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 0 34.559246 -44.121696 -22.944462 1 5082 1 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 0 36.003815 -44.593937 -23.042778 1 5083 1 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 0 36.412964 -45.49642 -22.306175 1 5084 1 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 0 34.43515 -43.063206 -21.842176 1 5085 1 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 0 33.089905 -42.334824 -21.77009 1 5086 1 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 0 32.94277 -41.646893 -20.426336 1 5087 1 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 0 32.98632 -41.323795 -22.907425 1 5088 1 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 0 36.7629 -43.987373 -23.958168 1 5089 1 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 0 38.17403 -44.342865 -24.087814 1 5090 1 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 0 39.02684 -43.085365 -24.058844 1 5091 1 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 0 38.566635 -41.988438 -24.392157 1 5092 1 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 0 38.42334 -45.13728 -25.370895 1 5093 1 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 0 38.120453 -44.38716 -26.653322 1 5094 1 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 0 38.353912 -45.22934 -27.893223 1 5095 1 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 0 38.521526 -46.464226 -27.766293 1 5096 1 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 0 38.371777 -44.66565 -29.011951 1 5097 1 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 0 40.25879 -43.282593 -23.640453 1 5098 1 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 0 41.155075 -42.14975 -23.525974 1 5099 1 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 0 40.80056 -41.253296 -22.356113 1 5100 1 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 0 40.09327 -41.657494 -21.435131 1 5101 1 +ATOM N N . SER C0 3 236 . 236 SER C0 N 0 41.306816 -40.03179 -22.41504 1 5102 1 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 0 41.047874 -39.059147 -21.36644 1 5103 1 +ATOM C C . SER C0 3 236 . 236 SER C0 C 0 40.19279 -37.92002 -21.887989 1 5104 1 +ATOM O O . SER C0 3 236 . 236 SER C0 O 0 40.174652 -37.635925 -23.08422 1 5105 1 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 0 42.365616 -38.50586 -20.814835 1 5106 1 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 0 43.17025 -39.527267 -20.260101 1 5107 1 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 0 39.470795 -37.287117 -20.984253 1 5108 1 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 0 38.676903 -36.124725 -21.355906 1 5109 1 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 0 39.620583 -34.986954 -21.74181 1 5110 1 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 0 40.63938 -34.766342 -21.088352 1 5111 1 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 0 37.77571 -35.71482 -20.20644 1 5112 1 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 0 39.26565 -34.265987 -22.800537 1 5113 1 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 0 40.076508 -33.15902 -23.288742 1 5114 1 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 0 39.285915 -31.854 -23.151405 1 5115 1 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 0 38.119946 -31.780857 -23.559853 1 5116 1 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 0 40.488396 -33.374516 -24.76019 1 5117 1 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 0 41.3037 -32.20323 -25.26749 1 5118 1 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 0 41.274414 -34.677242 -24.914024 1 5119 1 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 0 39.91111 -30.853256 -22.568478 1 5120 1 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 0 39.25214 -29.571623 -22.388367 1 5121 1 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 0 39.133644 -28.835182 -23.715815 1 5122 1 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 0 40.10187 -28.728466 -24.46938 1 5123 1 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 0 40.023247 -28.720364 -21.375046 1 5124 1 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 0 39.359657 -27.370989 -21.114964 1 5125 1 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 0 40.080643 -26.545683 -20.069412 1 5126 1 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 0 40.610947 -27.141724 -19.104126 1 5127 1 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 0 40.122246 -25.312073 -20.194656 1 5128 1 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 0 37.948715 -28.339085 -23.98542 1 5129 1 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 0 37.705406 -27.564793 -25.19719 1 5130 1 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 0 38.223972 -26.143673 -24.982624 1 5131 1 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 0 37.9091 -25.506031 -23.974445 1 5132 1 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 0 36.203323 -27.562702 -25.547745 1 5133 1 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 0 35.80114 -28.956968 -26.044106 1 5134 1 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 0 35.87902 -26.487259 -26.586601 1 5135 1 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 0 34.318325 -29.11993 -26.320404 1 5136 1 +ATOM N N . THR C0 3 241 . 241 THR C0 N 0 39.006386 -25.645775 -25.919724 1 5137 1 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 0 39.58526 -24.319483 -25.803267 1 5138 1 +ATOM C C . THR C0 3 241 . 241 THR C0 C 0 39.18486 -23.394714 -26.94809 1 5139 1 +ATOM O O . THR C0 3 241 . 241 THR C0 O 0 39.550186 -22.217873 -26.935602 1 5140 1 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 0 41.126076 -24.382244 -25.735928 1 5141 1 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 0 41.620247 -25.012096 -26.914845 1 5142 1 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 0 41.578686 -25.184517 -24.512947 1 5143 1 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 0 38.48416 -23.931793 -27.944565 1 5144 1 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 0 38.02836 -23.145134 -29.085758 1 5145 1 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 0 36.591316 -23.516731 -29.42746 1 5146 1 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 0 36.18058 -24.671406 -29.261322 1 5147 1 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 0 38.92719 -23.372364 -30.309664 1 5148 1 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 0 40.3703 -22.92845 -30.127897 1 5149 1 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 0 41.18322 -23.214565 -31.392124 1 5150 1 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 0 42.632812 -22.787281 -31.21357 1 5151 1 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 0 43.422382 -23.08041 -32.420795 1 5152 1 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 0 35.849308 -22.542728 -29.94872 1 5153 1 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 0 34.464825 -22.79896 -30.340494 1 5154 1 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 0 34.39738 -23.858877 -31.435677 1 5155 1 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 0 33.457375 -24.660189 -31.47147 1 5156 1 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 0 33.803574 -21.502132 -30.820522 1 5157 1 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 0 32.327038 -21.60353 -31.22194 1 5158 1 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 0 31.840145 -20.261604 -31.763582 1 5159 1 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 0 31.48993 -22.053093 -30.039526 1 5160 1 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 0 35.37639 -23.856342 -32.336983 1 5161 1 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 0 35.40525 -24.839472 -33.418087 1 5162 1 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 0 35.459152 -26.265465 -32.888676 1 5163 1 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 0 34.984455 -27.184912 -33.55456 1 5164 1 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 0 36.601833 -24.584503 -34.342846 1 5165 1 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 0 36.387257 -23.414736 -35.281696 1 5166 1 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 0 35.234474 -22.960007 -35.43248 1 5167 1 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 0 37.384727 -22.946707 -35.876972 1 5168 1 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 0 36.03191 -26.457191 -31.707197 1 5169 1 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 0 36.10414 -27.7924 -31.119331 1 5170 1 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 0 34.723194 -28.270164 -30.663452 1 5171 1 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 0 34.439354 -29.465254 -30.703014 1 5172 1 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 0 37.087654 -27.80256 -29.947796 1 5173 1 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 0 38.51655 -27.51188 -30.38245 1 5174 1 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 0 39.477142 -27.406303 -29.224276 1 5175 1 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 0 40.679665 -27.15423 -29.458828 1 5176 1 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 0 39.045128 -27.55971 -28.063393 1 5177 1 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 0 33.874004 -27.335644 -30.214657 1 5178 1 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 0 32.505356 -27.70493 -29.8712 1 5179 1 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 0 31.749582 -28.072647 -31.141407 1 5180 1 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 0 31.044239 -29.081161 -31.184826 1 5181 1 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 0 31.776155 -26.566645 -29.133041 1 5182 1 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 0 32.549927 -26.159405 -27.87404 1 5183 1 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 0 30.349915 -26.992458 -28.78432 1 5184 1 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 0 31.899223 -25.001259 -27.119476 1 5185 1 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 0 31.91953 -27.242142 -32.176468 1 5186 1 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 0 31.263199 -27.521206 -33.450417 1 5187 1 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 0 31.700283 -28.8741 -33.99896 1 5188 1 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 0 30.87424 -29.630404 -34.53248 1 5189 1 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 0 31.573122 -26.415665 -34.464245 1 5190 1 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 0 30.939728 -25.073006 -34.12829 1 5191 1 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 0 31.242912 -24.055103 -35.22428 1 5192 1 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 0 30.558802 -22.731808 -34.939934 1 5193 1 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 0 30.822842 -21.728397 -35.99711 1 5194 1 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 0 32.984222 -29.190273 -33.85746 1 5195 1 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 0 33.50361 -30.472551 -34.329483 1 5196 1 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 0 32.859795 -31.636236 -33.588585 1 5197 1 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 0 32.60853 -32.690212 -34.16344 1 5198 1 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 0 35.024727 -30.51598 -34.169754 1 5199 1 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 0 35.645023 -31.70095 -34.89212 1 5200 1 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 0 35.37594 -31.925117 -36.07467 1 5201 1 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 0 36.48644 -32.452557 -34.207626 1 5202 1 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 0 32.569153 -31.452103 -32.313618 1 5203 1 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 0 31.943937 -32.497887 -31.522158 1 5204 1 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 0 30.494667 -32.723663 -31.931316 1 5205 1 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 0 29.93121 -33.777557 -31.621166 1 5206 1 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 0 32.019547 -32.14574 -30.045067 1 5207 1 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 0 29.903927 -31.760975 -32.615883 1 5208 1 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 0 28.510927 -31.860119 -33.02964 1 5209 1 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 0 28.356754 -32.446053 -34.432514 1 5210 1 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 0 27.234512 -32.72744 -34.85608 1 5211 1 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 0 27.842669 -30.483402 -32.986618 1 5212 1 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 0 27.849903 -29.777412 -31.628132 1 5213 1 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 0 27.192642 -28.413439 -31.764946 1 5214 1 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 0 27.164837 -30.614923 -30.565903 1 5215 1 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 0 29.449312 -32.630802 -35.151237 1 5216 1 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 0 29.406372 -33.16811 -36.510178 1 5217 1 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 0 28.973969 -34.63663 -36.522846 1 5218 1 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 0 29.241245 -35.380905 -35.58203 1 5219 1 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 0 30.772871 -33.04355 -37.200935 1 5220 1 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 0 31.142937 -31.606266 -37.517982 1 5221 1 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 0 32.50286 -31.568855 -38.230503 1 5222 1 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 0 32.877605 -30.13334 -38.548046 1 5223 1 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 0 34.18217 -30.048515 -39.179474 1 5224 1 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 0 28.311405 -35.04409 -37.469315 1 5225 1 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 0 -6.0068154 -3.68601 -7.377159 1 5226 1 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 0 -4.7469215 -3.6669273 -7.7839713 1 5227 1 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 0 -6.2228136 -4.7377124 -6.377497 1 5228 1 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 0 -7.4289293 -4.5979853 -5.7931266 1 5229 1 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 0 -8.32671 -1.8305304 18.985956 1 5230 1 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 0 -8.17065 -0.8007157 18.137482 1 5231 1 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 0 -7.038919 -2.4621973 19.329113 1 5232 1 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 0 -7.176006 -3.221178 20.444824 1 5233 1 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 0 27.45577 -22.079151 -15.27969 1 5234 1 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 0 26.714678 -20.966976 -15.036789 1 5235 1 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 0 28.180622 -21.980757 -16.56345 1 5236 1 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 0 28.858053 -23.119812 -16.806343 1 5237 1 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 0 -40.113007 -5.0320663 10.959186 1 5238 1 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 0 -39.670532 -3.8759265 10.386491 1 5239 1 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 0 -40.68151 -4.7484965 12.270198 1 5240 1 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 0 -41.794895 -4.0346546 12.093355 1 5241 1 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 0 -6.2917347 1.4493121 -25.106602 1 5242 1 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 0 -7.487754 1.9891543 -25.327602 1 5243 1 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 0 -5.203106 2.404153 -25.388979 1 5244 1 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 0 -4.008672 1.8839673 -25.033508 1 5245 1 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 0 -9.898086 16.344444 -17.449894 1 5246 1 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 0 -9.937534 15.695113 -18.61359 1 5247 1 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 0 -11.244427 16.533968 -16.880213 1 5248 1 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 0 -11.181196 16.994404 -15.610197 1 5249 1 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 0 -3.0767312 -2.9357681 -4.6625533 1 5250 1 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 0 12.265855 11.945139 15.434551 1 5251 1 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 0 -1.5043502 7.5049706 -24.260319 1 5252 1 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 0 -26.312202 8.676777 9.898748 1 5253 1 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 0 -12.81946 -0.28040123 -11.0408745 1 5254 1 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 0 -40.24392 10.846416 26.771175 1 5255 1 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 0 -39.5447 17.937822 12.241812 1 5256 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +4 non-polymer +5 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_2.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_2.cif new file mode 100644 index 0000000000000000000000000000000000000000..f39e55452af0d4667c862593d42309bc2208af5d --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_2.cif @@ -0,0 +1,6681 @@ +data_8tuz-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 85.16 -17.44076 -7.8179364 11.205427 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 89.45 -18.706955 -7.332387 10.677247 1 2 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 92.19 -18.528204 -6.5205665 9.409552 1 3 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 90.62 -19.37901 -6.590436 8.511028 1 4 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 83.98 -19.435513 -6.509776 11.744974 1 5 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 78.12 -18.593418 -5.406728 12.356348 1 6 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 73.83 -19.329124 -4.6646404 13.454622 1 7 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 69.14 -20.5599 -4.779273 13.532557 1 8 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 67.97 -18.687592 -3.9594116 14.255936 1 9 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 93.75 -17.428795 -5.7373405 9.313297 1 10 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 94.53 -17.153593 -5.032593 8.068394 1 11 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 94.92 -16.687454 -6.053173 7.029645 1 12 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 94.53 -15.781826 -6.8496714 7.298002 1 13 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 93.36 -16.077179 -3.944048 8.258112 1 14 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 91.41 -15.68614 -3.339816 6.916848 1 15 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 90.62 -16.566425 -2.8797297 9.221678 1 16 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 96.88 -17.300724 -6.028412 5.8578773 1 17 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 96.88 -16.93769 -6.9680405 4.802699 1 18 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 97.27 -16.92611 -6.2751384 3.4466324 1 19 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 96.48 -17.74924 -5.390461 3.184935 1 20 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 95.31 -17.910511 -8.154541 4.7579885 1 21 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 90.23 -17.834003 -9.053146 5.975787 1 22 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 87.89 -18.733448 -10.269113 5.8579717 1 23 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 83.2 -19.493866 -10.403687 4.9055977 1 24 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 81.25 -18.661625 -11.169944 6.8313236 1 25 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 97.66 -16.001932 -6.686471 2.5983548 1 26 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 98.05 -15.95019 -6.2828145 1.2023789 1 27 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 98.05 -15.930069 -7.5618815 0.37614536 1 28 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 97.66 -14.978314 -8.34321 0.46537626 1 29 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 97.66 -14.707003 -5.433106 0.9147892 1 30 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 96.48 -14.642222 -4.070917 1.6099328 1 31 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 95.7 -13.2538185 -3.4575734 1.4375021 1 32 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 95.7 -15.703129 -3.1368997 1.0603664 1 33 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 97.66 -16.986156 -7.7961755 -0.39787793 1 34 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 97.66 -17.127298 -9.028564 -1.1748691 1 35 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 97.66 -17.030006 -8.694703 -2.6614747 1 36 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 98.05 -17.82439 -7.90413 -3.1835382 1 37 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 97.27 -18.459618 -9.740772 -0.8713379 1 38 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 95.7 -18.587044 -11.002514 -1.7144136 1 39 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 95.7 -18.554123 -10.07292 0.619404 1 40 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 97.66 -16.049736 -9.305414 -3.329232 1 41 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 97.66 -15.801945 -9.019432 -4.7364984 1 42 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 97.27 -16.458443 -10.052889 -5.6490974 1 43 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 96.48 -16.81623 -11.149302 -5.2126136 1 44 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 97.66 -14.295495 -8.964145 -5.0057707 1 45 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 96.88 -13.596619 -7.8650246 -4.2245793 1 46 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 98.05 -12.115101 -7.7570953 -4.5042496 1 47 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 89.06 -11.3018265 -7.695895 -3.5884655 1 48 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 85.94 -11.744293 -7.7316155 -5.778572 1 49 +ATOM N N . SER A0 1 7 . 7 SER A0 N 96.48 -16.608711 -9.677509 -6.918729 1 50 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 96.09 -17.191515 -10.567883 -7.9202566 1 51 +ATOM C C . SER A0 1 7 . 7 SER A0 C 95.7 -16.215181 -11.691155 -8.256845 1 52 +ATOM O O . SER A0 1 7 . 7 SER A0 O 95.31 -15.042028 -11.662213 -7.8845615 1 53 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 96.48 -17.560902 -9.780337 -9.180242 1 54 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 95.31 -16.464334 -9.019544 -9.648163 1 55 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 93.36 -16.699791 -12.697769 -8.982076 1 56 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 92.97 -15.926958 -13.896753 -9.258357 1 57 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 94.14 -14.883076 -13.729841 -10.347394 1 58 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 93.36 -14.786127 -12.6840515 -11.003824 1 59 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 92.19 -14.102127 -14.798202 -10.535723 1 60 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 91.8 -13.033805 -14.833776 -11.52232 1 61 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 92.97 -13.55364 -14.52539 -12.925473 1 62 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 92.58 -14.650616 -14.950104 -13.295556 1 63 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 89.45 -12.355566 -16.206053 -11.49892 1 64 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 85.16 -11.238691 -16.363888 -12.513781 1 65 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 81.64 -10.589894 -17.749529 -12.462251 1 66 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 78.12 -9.629431 -17.991426 -13.2198305 1 67 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 76.56 -11.042533 -18.590374 -11.656121 1 68 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 93.36 -12.743036 -13.783084 -13.7081585 1 69 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 93.36 -13.10705 -13.410194 -15.061907 1 70 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 93.36 -12.040382 -13.887148 -16.040207 1 71 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 92.58 -10.840786 -13.726891 -15.781158 1 72 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 92.97 -13.268087 -11.886159 -15.194704 1 73 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 91.02 -14.340733 -11.283337 -14.295654 1 74 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 89.45 -15.740715 -11.39782 -14.859898 1 75 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 87.11 -16.684526 -10.9596405 -14.177647 1 76 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 87.11 -15.906128 -11.925844 -15.982216 1 77 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 92.97 -12.464859 -14.480167 -17.15419 1 78 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 92.58 -11.580111 -14.891483 -18.242115 1 79 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 93.36 -12.074048 -14.194872 -19.503403 1 80 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 92.58 -13.177969 -14.472776 -19.981918 1 81 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 91.41 -11.56374 -16.419846 -18.435057 1 82 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 89.45 -10.599843 -16.798483 -19.559391 1 83 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 89.06 -11.161917 -17.108826 -17.1279 1 84 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 95.31 -11.257737 -13.280006 -20.028263 1 85 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 95.31 -11.658039 -12.4473505 -21.160751 1 86 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 95.31 -10.589256 -12.443935 -22.247698 1 87 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 94.53 -9.432672 -12.835127 -22.01856 1 88 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 94.53 -11.92259 -11.004467 -20.711018 1 89 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 93.36 -13.083657 -10.846572 -19.74271 1 90 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 92.58 -14.410499 -11.002768 -20.479843 1 91 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 90.62 -15.586498 -10.735113 -19.541265 1 92 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 89.45 -16.855143 -10.797401 -20.257458 1 93 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 95.7 -10.967274 -11.993282 -23.44521 1 94 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 95.31 -10.050007 -11.855904 -24.562584 1 95 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 95.7 -9.618948 -10.399975 -24.696064 1 96 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 95.7 -10.355107 -9.48568 -24.302502 1 97 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 94.53 -10.716706 -12.316364 -25.86136 1 98 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 90.23 -11.065945 -13.791475 -25.879208 1 99 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 86.72 -11.638262 -14.215473 -27.214306 1 100 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 81.64 -12.01693 -15.688141 -27.211811 1 101 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 76.17 -10.851453 -16.574438 -27.004848 1 102 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 96.48 -8.408454 -10.158336 -25.250446 1 103 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 96.48 -7.97283 -8.77364 -25.454031 1 104 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 96.88 -8.975604 -7.994645 -26.301975 1 105 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 96.09 -9.569551 -8.540493 -27.236197 1 106 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 95.7 -6.6296024 -8.920599 -26.17649 1 107 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 94.53 -6.134982 -10.279135 -25.778797 1 108 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 96.09 -7.3753486 -11.121096 -25.660595 1 109 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 96.88 -9.162903 -6.7358932 -25.949509 1 110 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 96.88 -10.0999565 -5.8863764 -26.658731 1 111 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 97.27 -11.498524 -5.875181 -26.085642 1 112 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 96.48 -12.290344 -4.984866 -26.418102 1 113 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 96.88 -11.804116 -6.849822 -25.229263 1 114 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 96.88 -13.125544 -6.897538 -24.614391 1 115 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 96.88 -13.194422 -5.9468217 -23.427502 1 116 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 96.88 -12.165595 -5.560722 -22.859638 1 117 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 96.48 -13.463154 -8.322739 -24.16119 1 118 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 94.53 -13.6091385 -9.301308 -25.315552 1 119 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 94.14 -14.049313 -10.677635 -24.863605 1 120 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 91.8 -14.572728 -11.435793 -25.699543 1 121 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 91.41 -13.878752 -11.00642 -23.672138 1 122 +ATOM N N . SER A0 1 17 . 17 SER A0 N 97.66 -14.394072 -5.5688577 -23.064417 1 123 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 97.66 -14.606598 -4.725568 -21.897358 1 124 +ATOM C C . SER A0 1 17 . 17 SER A0 C 97.66 -14.922949 -5.5942173 -20.684837 1 125 +ATOM O O . SER A0 1 17 . 17 SER A0 O 96.88 -15.353848 -6.744998 -20.821959 1 126 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 96.48 -15.743443 -3.7276983 -22.140812 1 127 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 91.8 -16.976345 -4.4094763 -22.321259 1 128 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 97.66 -14.674221 -5.0403385 -19.501768 1 129 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 97.66 -14.915676 -5.781415 -18.268663 1 130 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 97.66 -15.183989 -4.814595 -17.131016 1 131 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 97.27 -14.542137 -3.757832 -17.04625 1 132 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 96.88 -13.71072 -6.6726747 -17.930206 1 133 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 95.7 -13.772731 -7.420169 -16.591095 1 134 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 94.92 -12.442579 -8.100534 -16.298662 1 135 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 94.53 -14.915262 -8.430607 -16.594604 1 136 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 98.05 -16.11065 -5.171191 -16.266373 1 137 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 97.66 -16.375439 -4.416542 -15.051452 1 138 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 98.05 -16.503365 -5.4000206 -13.893761 1 139 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 97.27 -17.376762 -6.2798004 -13.907321 1 140 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 97.27 -17.660751 -3.5849833 -15.1809025 1 141 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 95.31 -17.932615 -2.6891036 -13.971848 1 142 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 93.75 -19.03701 -1.6747992 -14.251359 1 143 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 89.45 -20.404682 -2.3104563 -14.340654 1 144 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 85.55 -21.462082 -1.2801828 -14.510153 1 145 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 98.44 -15.610314 -5.277442 -12.910893 1 146 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 98.05 -15.666377 -6.120059 -11.726679 1 147 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 98.05 -16.169468 -5.286492 -10.557305 1 148 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 98.05 -16.06393 -4.0557218 -10.556105 1 149 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 98.05 -14.299623 -6.7735147 -11.409775 1 150 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 94.53 -13.23972 -5.7175055 -11.134302 1 151 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 94.14 -13.864449 -7.6696286 -12.578721 1 152 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 94.92 -11.8858385 -6.2921534 -10.715366 1 153 +ATOM N N . SER A0 1 21 . 21 SER A0 N 98.05 -16.727295 -5.970292 -9.549406 1 154 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 98.05 -17.426228 -5.2720613 -8.474411 1 155 +ATOM C C . SER A0 1 21 . 21 SER A0 C 98.05 -16.8932 -5.621503 -7.0869217 1 156 +ATOM O O . SER A0 1 21 . 21 SER A0 O 98.05 -16.222902 -6.6351566 -6.8976955 1 157 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 97.66 -18.930119 -5.5627165 -8.534051 1 158 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 95.31 -19.194416 -6.926897 -8.267134 1 159 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 98.44 -17.219107 -4.7608337 -6.1460147 1 160 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 98.05 -16.84821 -4.8986197 -4.7395144 1 161 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 98.44 -17.996277 -4.329909 -3.9126372 1 162 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 98.05 -18.281252 -3.131857 -3.9876862 1 163 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 97.66 -15.548822 -4.1398277 -4.4670587 1 164 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 96.09 -15.091922 -3.9732451 -2.7427864 1 165 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 98.05 -18.6735 -5.1821675 -3.152264 1 166 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 97.66 -19.820984 -4.7644787 -2.3482075 1 167 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 98.05 -19.429886 -4.688865 -0.8747492 1 168 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 97.66 -18.909513 -5.6542273 -0.31261435 1 169 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 97.66 -20.999079 -5.722616 -2.5257654 1 170 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 94.14 -22.236012 -5.2787304 -1.7555933 1 171 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 91.41 -23.442102 -6.1510196 -2.0755193 1 172 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 87.11 -24.678158 -5.6587768 -1.3265183 1 173 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 82.81 -25.863907 -6.4582777 -1.6633074 1 174 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 97.27 -19.695642 -3.5261478 -0.25193727 1 175 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 97.27 -19.387194 -3.3385277 1.1563547 1 176 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 97.27 -20.601124 -3.533787 2.0379114 1 177 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 96.48 -21.731594 -3.2727342 1.6337919 1 178 +ATOM N N . SER A0 1 25 . 25 SER A0 N 96.48 -20.368393 -4.003123 3.2583423 1 179 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 96.09 -21.430153 -4.174355 4.239432 1 180 +ATOM C C . SER A0 1 25 . 25 SER A0 C 96.09 -20.85362 -4.0506215 5.6450505 1 181 +ATOM O O . SER A0 1 25 . 25 SER A0 O 95.7 -19.640152 -4.1791334 5.840507 1 182 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 95.7 -22.133955 -5.5269966 4.0633135 1 183 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 93.75 -21.236237 -6.600563 4.276431 1 184 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 94.53 -21.733465 -3.7851887 6.6347647 1 185 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 93.75 -21.322811 -3.7258804 8.019737 1 186 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 94.14 -20.824232 -2.365914 8.477609 1 187 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 93.36 -20.331247 -2.2539024 9.602196 1 188 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 93.36 -20.95689 -1.3325877 7.6407 1 189 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 93.75 -20.557404 0.03495889 7.982936 1 190 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 93.75 -21.273071 0.99328804 7.049288 1 191 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 92.58 -21.90754 0.56322396 6.0740447 1 192 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 94.14 -19.034416 0.19550925 7.8946743 1 193 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 94.14 -18.510864 0.14889446 6.4866714 1 194 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 93.75 -18.338736 -1.060977 5.824624 1 195 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 93.36 -18.185669 1.32422 5.8193684 1 196 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 92.97 -17.865622 -1.1052341 4.5256944 1 197 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 92.97 -17.70536 1.2912304 4.519791 1 198 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 93.36 -17.553455 0.075056344 3.8813214 1 199 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 93.36 -17.077265 0.04435893 2.588378 1 200 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 92.97 -21.193449 2.3034081 7.3181543 1 201 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 92.97 -21.81588 3.2937837 6.4528656 1 202 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 93.75 -20.973644 3.4585273 5.18909 1 203 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 93.75 -19.982712 4.193159 5.170738 1 204 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 91.02 -21.982391 4.6267304 7.1838083 1 205 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 86.33 -22.8111 5.635124 6.4009266 1 206 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 82.03 -23.046467 6.9085274 7.2050743 1 207 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 76.95 -23.86621 7.912182 6.4035015 1 208 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 71.88 -24.100693 9.146699 7.16804 1 209 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 94.53 -21.370625 2.763205 4.128252 1 210 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 94.92 -20.614033 2.63725 2.8885808 1 211 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 94.53 -20.224846 3.9896865 2.2803345 1 212 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 94.14 -19.11772 4.1530952 1.7632904 1 213 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 95.7 -21.433525 1.8196454 1.8911097 1 214 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 96.09 -20.763807 1.5959766 0.5628383 1 215 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 95.31 -21.158785 2.32334 -0.5509082 1 216 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 94.53 -19.765884 0.64650834 0.41408008 1 217 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 94.53 -20.564919 2.1079047 -1.7784147 1 218 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 94.92 -19.169947 0.4308796 -0.8116703 1 219 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 96.09 -19.572254 1.1591364 -1.9092443 1 220 +ATOM N N . SER A0 1 30 . 30 SER A0 N 94.14 -21.13869 4.9808154 2.3481402 1 221 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 94.14 -20.917288 6.2720904 1.7157319 1 222 +ATOM C C . SER A0 1 30 . 30 SER A0 C 94.14 -19.940508 7.1693816 2.4705074 1 223 +ATOM O O . SER A0 1 30 . 30 SER A0 O 93.36 -19.592274 8.246611 1.9684446 1 224 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 92.97 -22.252043 7.009581 1.5304718 1 225 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 91.41 -22.85532 7.275247 2.7800808 1 226 +ATOM N N . SER A0 1 31 . 31 SER A0 N 92.19 -19.476307 6.7439938 3.6484933 1 227 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 91.8 -18.640486 7.5761213 4.502451 1 228 +ATOM C C . SER A0 1 31 . 31 SER A0 C 92.97 -17.160831 7.220404 4.4639854 1 229 +ATOM O O . SER A0 1 31 . 31 SER A0 O 92.97 -16.369686 7.816678 5.204667 1 230 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 90.23 -19.136843 7.5070734 5.950098 1 231 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 87.89 -20.452198 8.020586 6.067519 1 232 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 94.53 -16.756878 6.2654705 3.6237602 1 233 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 94.53 -15.363819 5.848008 3.5519733 1 234 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 95.31 -14.915072 5.7094164 2.10124 1 235 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 94.92 -15.68826 5.2737346 1.2437515 1 236 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 94.14 -15.151335 4.507148 4.267357 1 237 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 92.97 -15.367271 4.5682526 5.759622 1 238 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 91.02 -16.636765 4.4056625 6.304614 1 239 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 90.62 -14.306 4.8048596 6.626361 1 240 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 89.06 -16.841717 4.4804525 7.668664 1 241 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 88.67 -14.508261 4.879842 7.995432 1 242 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 89.06 -15.772565 4.70819 8.507996 1 243 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 87.89 -15.971316 4.7775993 9.852266 1 244 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 96.48 -13.660134 6.0501842 1.8427818 1 245 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 96.48 -13.058327 5.794697 0.5426975 1 246 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 96.88 -12.905514 4.2871237 0.32774168 1 247 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 96.48 -12.682755 3.5257173 1.2738433 1 248 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 95.7 -11.667455 6.4237876 0.46185267 1 249 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 94.53 -11.60536 7.90707 0.50900394 1 250 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 92.97 -11.465478 8.683201 1.6190878 1 251 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 93.36 -11.633415 8.80132 -0.6097357 1 252 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 91.41 -11.406738 10.008534 1.259875 1 253 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 92.19 -11.518885 10.109072 -0.09589553 1 254 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 91.8 -11.766961 8.62223 -1.9880131 1 255 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 91.02 -11.499052 11.231152 -0.92988086 1 256 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 91.8 -11.751934 9.739936 -2.806147 1 257 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 91.41 -11.628172 11.021809 -2.2688558 1 258 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 97.66 -13.023348 3.8432713 -0.92922187 1 259 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 97.66 -12.708986 2.464448 -1.3134137 1 260 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 97.66 -11.640454 2.5210624 -2.4056916 1 261 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 97.27 -11.787972 3.2429338 -3.3946595 1 262 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 97.66 -13.945257 1.7152145 -1.8428354 1 263 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 94.92 -15.045572 1.6758239 -0.7717991 1 264 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 95.31 -13.55841 0.30033603 -2.2884727 1 265 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 93.75 -14.69914 0.8566444 0.46327773 1 266 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 98.05 -10.554599 1.7692809 -2.1918552 1 267 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 98.05 -9.464746 1.7464302 -3.1520295 1 268 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 98.44 -9.3683605 0.4245667 -3.8782792 1 269 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 98.05 -9.915755 -0.59047914 -3.436521 1 270 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 98.05 -8.656824 0.44881946 -5.016226 1 271 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 98.44 -8.366453 -0.74885845 -5.7891827 1 272 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 98.05 -6.8579245 -0.9406601 -5.868219 1 273 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 98.05 -6.105446 0.019974884 -6.088335 1 274 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 98.44 -8.952753 -0.6527635 -7.2075214 1 275 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 98.44 -10.435175 -0.80306995 -7.26409 1 276 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 98.05 -11.364464 0.1956248 -7.292534 1 277 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 98.44 -11.167441 -2.033259 -7.3077626 1 278 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 98.05 -12.628283 -0.33566466 -7.34365 1 279 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 98.05 -12.538614 -1.6942871 -7.3562956 1 280 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 98.05 -10.797099 -3.3749344 -7.316816 1 281 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 98.44 -13.541222 -2.6665344 -7.410116 1 282 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 98.05 -11.793704 -4.339671 -7.3719716 1 283 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 98.05 -13.143622 -3.975204 -7.4221764 1 284 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 98.05 -6.444437 -2.1837091 -5.692049 1 285 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 98.44 -5.0289946 -2.5456533 -5.6979628 1 286 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 98.44 -4.823502 -3.7098503 -6.6646166 1 287 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 98.05 -5.5603266 -4.708464 -6.6017866 1 288 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 98.05 -4.54591 -2.9340987 -4.285924 1 289 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 97.27 -3.097796 -3.411758 -4.3255234 1 290 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 96.48 -4.6985893 -1.7539332 -3.3295393 1 291 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 98.44 -3.8292809 -3.6000066 -7.552301 1 292 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 98.05 -3.4937034 -4.66195 -8.493782 1 293 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 98.05 -2.3085997 -5.467389 -7.9828005 1 294 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 98.05 -1.3727866 -4.913398 -7.4056015 1 295 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 97.66 -3.1491294 -4.0814652 -9.871029 1 296 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 95.7 -2.8155117 -5.1551533 -10.919166 1 297 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 94.14 -2.420728 -4.518575 -12.2435055 1 298 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 92.58 -1.0550753 -3.9714386 -12.202379 1 299 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 91.8 -0.4588269 -3.4088361 -13.259836 1 300 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 90.62 -1.0951972 -3.326145 -14.431779 1 301 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 91.41 0.77484727 -2.9339578 -13.1271105 1 302 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 97.66 -2.3529763 -6.783105 -8.204186 1 303 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 97.27 -1.214977 -7.6450114 -7.8959374 1 304 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 97.66 -1.0126448 -8.611601 -9.060677 1 305 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 96.88 -1.7614956 -9.571 -9.218817 1 306 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 97.27 -1.4277976 -8.409494 -6.5898027 1 307 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 96.88 -0.18936627 -9.190697 -6.164016 1 308 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 96.88 -0.30354917 -9.726305 -4.757921 1 309 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 94.14 -1.345982 -10.247209 -4.364743 1 310 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 93.75 0.77086544 -9.583338 -3.9752269 1 311 +ATOM N N . MET A0 1 40 . 40 MET A0 N 95.31 -0.0014408957 -8.330481 -9.866608 1 312 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 94.92 0.3054521 -9.205824 -11.0029335 1 313 +ATOM C C . MET A0 1 40 . 40 MET A0 C 94.92 0.9336876 -10.49665 -10.495655 1 314 +ATOM O O . MET A0 1 40 . 40 MET A0 O 94.53 1.4889247 -10.532127 -9.397478 1 315 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 94.14 1.2299907 -8.490881 -11.987893 1 316 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 92.58 0.5848259 -7.237714 -12.582285 1 317 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 90.62 1.6151658 -6.415739 -13.813954 1 318 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 86.33 1.4010764 -7.5308313 -15.212179 1 319 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 90.62 0.84415174 -11.5815325 -11.270851 1 320 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 89.45 1.3435783 -12.877754 -10.785938 1 321 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 89.45 2.7941575 -12.807768 -10.31739 1 322 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 87.5 3.6813731 -12.372591 -11.045151 1 323 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 87.5 1.1913197 -13.789412 -12.006079 1 324 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 86.33 0.037617087 -13.199306 -12.764214 1 325 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 87.89 0.1887191 -11.7030325 -12.5928545 1 326 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 89.06 3.0125499 -13.230293 -9.073931 1 327 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 87.89 4.3397083 -13.2555485 -8.486567 1 328 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 89.06 4.917557 -11.9031105 -8.132687 1 329 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 87.5 6.1023445 -11.816406 -7.791072 1 330 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 94.14 4.102252 -10.848895 -8.199291 1 331 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 94.14 4.580942 -9.49222 -7.938257 1 332 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 94.92 3.9403822 -8.905155 -6.683982 1 333 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 94.14 3.067851 -9.52162 -6.0577955 1 334 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 92.58 4.2926807 -8.58643 -9.140063 1 335 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 89.06 4.8648496 -9.093941 -10.457701 1 336 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 85.55 6.3979936 -9.122826 -10.427323 1 337 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 82.03 6.962146 -9.557194 -11.770305 1 338 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 77.73 8.4322605 -9.590615 -11.762833 1 339 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 95.31 4.3741283 -7.7024007 -6.319008 1 340 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 96.09 3.843041 -7.027237 -5.147968 1 341 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 96.48 2.5838575 -6.2325335 -5.4449234 1 342 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 96.48 1.9366753 -6.414387 -6.4849653 1 343 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 97.66 2.2361822 -5.3460293 -4.5209227 1 344 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 98.05 0.9970416 -4.596163 -4.5894666 1 345 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 97.27 1.188031 -3.2634163 -5.3012886 1 346 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 97.27 2.1847506 -2.572532 -5.0821238 1 347 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 98.05 0.45524874 -4.3479385 -3.1762495 1 348 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 97.27 0.22905353 -5.6029844 -2.322941 1 349 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 97.27 -0.04215668 -5.1973786 -0.876307 1 350 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 96.88 -0.9173418 -6.425805 -2.8828185 1 351 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 98.05 0.21109293 -2.8928773 -6.144066 1 352 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 97.66 0.22243889 -1.6259142 -6.8620806 1 353 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 98.05 -1.1142756 -0.92331505 -6.640698 1 354 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 98.05 -2.1605835 -1.4563421 -7.0248914 1 355 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 96.48 0.43282342 -1.8430281 -8.362657 1 356 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 92.58 1.7131741 -2.5673416 -8.740528 1 357 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 91.02 1.7567611 -2.8731875 -10.22471 1 358 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 89.45 1.2604343 -3.9491935 -10.625395 1 359 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 88.67 2.2782545 -2.0249653 -10.985895 1 360 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 98.05 -1.0738847 0.25037396 -6.0484033 1 361 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 97.66 -2.2850282 1.0340638 -5.8534145 1 362 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 98.05 -2.7500315 1.600288 -7.189418 1 363 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 97.66 -1.9753098 2.2044945 -7.923176 1 364 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 97.66 -2.026577 2.1672182 -4.8506055 1 365 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 97.66 -3.2110782 3.0493581 -4.64513 1 366 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 96.48 -4.3533487 2.733731 -3.96839 1 367 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 97.27 -3.3934488 4.382207 -5.108879 1 368 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 95.7 -5.205738 3.7989974 -3.9891028 1 369 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 96.88 -4.651398 4.8257713 -4.6912107 1 370 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 96.48 -2.5939465 5.260784 -5.862278 1 371 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 96.09 -5.1288366 6.099253 -4.9797497 1 372 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 95.7 -3.0750523 6.5263004 -6.1481385 1 373 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 95.31 -4.3329 6.9286556 -5.7091565 1 374 +ATOM N N . MET A0 1 48 . 48 MET A0 N 97.66 -4.0224752 1.3951225 -7.501666 1 375 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 97.66 -4.5916185 1.8306129 -8.774262 1 376 +ATOM C C . MET A0 1 48 . 48 MET A0 C 98.05 -5.3489785 3.1419291 -8.652135 1 377 +ATOM O O . MET A0 1 48 . 48 MET A0 O 97.66 -5.1610436 4.0466175 -9.472655 1 378 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 98.05 -5.5257764 0.7566383 -9.345062 1 379 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 97.66 -4.8510303 -0.5763774 -9.583923 1 380 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 97.66 -6.0111823 -1.8224888 -10.189747 1 381 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 94.14 -6.3277864 -1.1915078 -11.837046 1 382 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 97.66 -6.188008 3.246926 -7.6881695 1 383 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 97.66 -6.9989843 4.4378586 -7.5063677 1 384 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 97.66 -7.961964 4.2669387 -6.353922 1 385 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 97.27 -7.962827 3.241346 -5.6591377 1 386 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 97.27 -8.778889 5.27851 -6.1531315 1 387 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 97.27 -9.651955 5.3170285 -4.9914594 1 388 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 97.66 -10.906176 6.1215825 -5.323633 1 389 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 97.27 -10.873922 7.0064697 -6.1918397 1 390 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 96.48 -8.89267 5.9048905 -3.777803 1 391 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 93.36 -9.575342 5.547867 -2.4546366 1 392 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 92.97 -8.691841 7.4116745 -3.9448729 1 393 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 91.02 -8.667328 5.786213 -1.243171 1 394 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 96.48 -12.01014 5.8116474 -4.657527 1 395 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 97.27 -13.258367 6.5418553 -4.8696814 1 396 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 96.88 -13.948953 6.7498255 -3.5294933 1 397 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 96.48 -13.871177 5.9023533 -2.634656 1 398 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 97.66 -14.196147 5.797168 -5.855439 1 399 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 96.88 -15.407652 6.665236 -6.214926 1 400 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 96.88 -14.650282 4.447535 -5.274335 1 401 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 96.09 -16.2435 6.125705 -7.365556 1 402 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 96.09 -14.6024 7.9200497 -3.3766403 1 403 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 96.09 -15.442846 8.182897 -2.211969 1 404 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 96.48 -16.896059 7.9706717 -2.6331801 1 405 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 96.48 -17.441288 8.775436 -3.3979583 1 406 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 95.7 -15.236092 9.600344 -1.6927307 1 407 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 94.53 -15.813504 9.818512 -0.31546217 1 408 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 93.36 -17.01592 10.477222 -0.1475926 1 409 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 92.97 -15.145994 9.365402 0.80056906 1 410 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 91.41 -17.548773 10.671703 1.1188169 1 411 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 91.41 -15.66848 9.555972 2.069984 1 412 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 92.19 -16.873466 10.209262 2.2256982 1 413 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 97.27 -17.54575 6.874305 -2.1873837 1 414 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 96.48 -18.869541 6.542393 -2.7109547 1 415 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 95.7 -19.935184 7.60749 -2.4847398 1 416 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 94.92 -20.88487 7.6879897 -3.2690756 1 417 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 96.09 -19.216963 5.241371 -1.9726772 1 418 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 96.09 -17.899052 4.649253 -1.6080806 1 419 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 96.88 -17.031178 5.8397202 -1.2860297 1 420 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 95.7 -19.8116 8.430763 -1.4353119 1 421 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 95.31 -20.826664 9.419516 -1.1243215 1 422 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 95.31 -21.104134 10.396713 -2.2488382 1 423 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 94.14 -22.262043 10.727688 -2.5186281 1 424 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 94.92 -20.039135 10.886709 -2.9265864 1 425 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 94.53 -20.204231 11.81296 -4.034423 1 426 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 94.92 -19.433556 11.39573 -5.2842264 1 427 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 94.92 -19.324614 12.177133 -6.2280283 1 428 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 92.97 -19.803823 13.24086 -3.6142511 1 429 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 92.97 -18.337078 13.355463 -3.2301915 1 430 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 92.19 -17.602682 12.346039 -3.3121412 1 431 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 89.45 -17.910273 14.4675255 -2.8529782 1 432 +ATOM N N . SER A0 1 56 . 56 SER A0 N 96.09 -18.912136 10.179512 -5.2851505 1 433 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 95.7 -18.192623 9.600669 -6.419631 1 434 +ATOM C C . SER A0 1 56 . 56 SER A0 C 95.7 -16.93574 10.377387 -6.8122144 1 435 +ATOM O O . SER A0 1 56 . 56 SER A0 O 94.92 -16.504805 10.335766 -7.9669876 1 436 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 94.92 -19.11089 9.436026 -7.632375 1 437 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 91.8 -20.122862 8.482723 -7.361137 1 438 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 95.31 -16.330025 11.065594 -5.8587646 1 439 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 94.92 -15.030069 11.697296 -6.070811 1 440 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 96.09 -13.9910555 10.599422 -6.3096285 1 441 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 96.48 -13.997355 9.570442 -5.622698 1 442 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 94.14 -14.64997 12.535504 -4.845601 1 443 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 92.58 -13.455919 13.43952 -5.067984 1 444 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 91.02 -12.939586 13.506187 -6.2111864 1 445 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 89.06 -13.034322 14.103531 -4.1007414 1 446 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 95.7 -13.108964 10.806801 -7.3044205 1 447 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 95.7 -12.142353 9.78513 -7.708789 1 448 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 95.31 -10.7261505 10.327135 -7.7334604 1 449 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 94.53 -10.497763 11.494682 -8.038757 1 450 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 95.7 -12.472031 9.253462 -9.110207 1 451 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 95.31 -13.882647 8.757412 -9.310461 1 452 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 94.14 -14.128697 8.440609 -10.78096 1 453 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 92.19 -15.56181 8.007727 -11.031094 1 454 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 90.62 -16.510849 9.131896 -10.840408 1 455 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 96.48 -9.771456 9.4395075 -7.446442 1 456 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 96.09 -8.364059 9.739838 -7.6189995 1 457 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 96.88 -7.6693063 8.515898 -8.187984 1 458 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 96.88 -7.9477644 7.385728 -7.759197 1 459 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 94.92 -7.6940756 10.129041 -6.288327 1 460 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 92.19 -8.306904 11.338673 -5.599896 1 461 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 88.67 -8.0445385 12.631864 -6.3479867 1 462 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 86.72 -8.505162 13.797981 -5.6017804 1 463 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 85.16 -9.740963 14.27129 -5.660284 1 464 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 82.42 -10.654247 13.6904125 -6.446307 1 465 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 82.81 -10.079715 15.317272 -4.9508815 1 466 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 96.09 -6.7751904 8.691443 -9.150795 1 467 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 96.09 -6.0707045 7.586953 -9.780797 1 468 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 95.7 -4.561806 7.735402 -9.626436 1 469 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 94.92 -4.0397587 8.85317 -9.627776 1 470 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 96.88 -6.393267 7.51646 -11.281832 1 471 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 96.88 -7.832575 7.22437 -11.620939 1 472 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 96.48 -8.727467 8.261644 -11.870689 1 473 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 96.09 -8.292566 5.9212236 -11.714689 1 474 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 96.09 -10.050698 8.006222 -12.1883955 1 475 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 96.48 -9.613361 5.649868 -12.033806 1 476 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 96.88 -10.479778 6.695879 -12.270323 1 477 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 97.27 -11.787249 6.4409947 -12.590746 1 478 +ATOM N N . SER A0 1 61 . 61 SER A0 N 96.09 -3.8957973 6.598586 -9.511467 1 479 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 96.09 -2.4471235 6.596545 -9.643288 1 480 +ATOM C C . SER A0 1 61 . 61 SER A0 C 96.09 -2.0858352 7.0607405 -11.053078 1 481 +ATOM O O . SER A0 1 61 . 61 SER A0 O 95.7 -2.7762551 6.7045746 -12.009744 1 482 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 96.09 -1.8946058 5.194991 -9.397101 1 483 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 94.92 -0.5610003 5.079232 -9.869476 1 484 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 95.31 -1.0175182 7.8651867 -11.205863 1 485 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 94.92 -0.62167156 8.261547 -12.560924 1 486 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 94.92 -0.3830229 7.071063 -13.481252 1 487 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 94.53 -0.6069187 7.1725955 -14.695524 1 488 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 93.75 0.66865146 9.057125 -12.322302 1 489 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 92.58 0.52838075 9.578583 -10.932329 1 490 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 94.14 -0.19417453 8.507774 -10.172758 1 491 +ATOM N N . SER A0 1 63 . 63 SER A0 N 95.7 0.05346702 5.9315357 -12.936224 1 492 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 94.92 0.30767074 4.7380266 -13.741176 1 493 +ATOM C C . SER A0 1 63 . 63 SER A0 C 94.92 -0.9737284 4.09315 -14.265732 1 494 +ATOM O O . SER A0 1 63 . 63 SER A0 O 93.75 -0.90873075 3.2830024 -15.191443 1 495 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 93.75 1.0931928 3.7161567 -12.926004 1 496 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 89.06 2.3616245 4.226391 -12.5480585 1 497 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 95.7 -2.1154575 4.427103 -13.683155 1 498 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 96.09 -3.38273 3.8247232 -14.085377 1 499 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 95.31 -4.3857355 4.8373284 -14.628863 1 500 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 94.14 -5.4348516 4.4362144 -15.120293 1 501 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 96.09 -4.0039883 3.0491238 -12.914396 1 502 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 96.48 -3.2149076 1.8216741 -12.539783 1 503 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 95.31 -2.233744 1.8736832 -11.560137 1 504 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 94.92 -3.4425392 0.6128334 -13.179804 1 505 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 94.53 -1.4855591 0.74791354 -11.225948 1 506 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 94.53 -2.7037706 -0.51249146 -12.847013 1 507 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 95.31 -1.7279315 -0.44723046 -11.868252 1 508 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 95.31 -4.0546856 6.1343594 -14.567663 1 509 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 94.92 -4.933975 7.174286 -15.086168 1 510 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 95.31 -5.2009563 6.9332037 -16.573345 1 511 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 94.14 -4.2644386 6.7934833 -17.35876 1 512 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 93.75 -4.306444 8.549253 -14.882769 1 513 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 89.84 -5.1445446 9.697271 -15.416313 1 514 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 86.72 -6.370466 9.977432 -14.564921 1 515 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 83.2 -6.269259 10.122245 -13.352996 1 516 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 81.25 -7.5266695 10.041969 -15.211874 1 517 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 94.92 -6.468298 6.879365 -16.941471 1 518 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 94.53 -6.849927 6.648407 -18.322618 1 519 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 95.31 -6.8619604 5.1965666 -18.742966 1 520 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 94.14 -7.2801676 4.8938956 -19.866795 1 521 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 95.7 -6.3914366 4.296848 -17.873524 1 522 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 95.7 -6.3421006 2.8721886 -18.201788 1 523 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 96.09 -7.5648403 2.1374326 -17.686954 1 524 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 95.7 -7.9691277 1.1361017 -18.287903 1 525 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 94.14 -5.074789 2.2355156 -17.623734 1 526 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 91.41 -3.792438 2.975175 -17.983747 1 527 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 88.67 -3.600844 3.0898492 -19.481392 1 528 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 85.16 -3.76307 2.1235738 -20.219177 1 529 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 83.2 -3.269774 4.3075843 -19.94516 1 530 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 97.27 -8.116854 2.5928416 -16.582308 1 531 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 97.27 -9.298594 2.0055761 -15.970869 1 532 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 97.66 -10.217213 3.1259375 -15.506819 1 533 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 96.88 -9.804479 4.2824345 -15.403982 1 534 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 96.88 -8.947925 1.0912232 -14.773175 1 535 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 95.31 -8.17466 -0.14375004 -15.234442 1 536 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 94.53 -8.159385 1.8779129 -13.730678 1 537 +ATOM N N . THR A0 1 69 . 69 THR A0 N 98.05 -11.466803 2.771087 -15.211226 1 538 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 97.66 -12.417622 3.718501 -14.648651 1 539 +ATOM C C . THR A0 1 69 . 69 THR A0 C 98.05 -12.9790535 3.1320302 -13.359418 1 540 +ATOM O O . THR A0 1 69 . 69 THR A0 O 98.05 -13.406937 1.9780581 -13.334847 1 541 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 97.27 -13.565791 4.0122356 -15.630936 1 542 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 93.75 -13.033306 4.594968 -16.825731 1 543 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 92.58 -14.578878 4.973513 -15.008764 1 544 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 98.05 -12.933318 3.9233904 -12.282831 1 545 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 98.05 -13.516921 3.5245593 -11.010126 1 546 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 98.05 -14.846928 4.254079 -10.846586 1 547 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 97.66 -14.941735 5.450465 -11.129654 1 548 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 98.05 -12.568998 3.8556495 -9.834782 1 549 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 96.88 -11.234139 3.122822 -10.015297 1 550 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 96.88 -13.213992 3.488878 -8.502832 1 551 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 95.7 -10.156528 3.5462394 -9.020197 1 552 +ATOM N N . SER A0 1 71 . 71 SER A0 N 98.05 -15.866667 3.541469 -10.39848 1 553 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 98.05 -17.179628 4.1359463 -10.175301 1 554 +ATOM C C . SER A0 1 71 . 71 SER A0 C 98.05 -17.836384 3.496011 -8.964426 1 555 +ATOM O O . SER A0 1 71 . 71 SER A0 O 98.05 -17.355755 2.4890978 -8.443991 1 556 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 97.27 -18.07492 3.9833915 -11.413412 1 557 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 95.7 -18.283657 2.616185 -11.724297 1 558 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 97.66 -18.92527 4.102605 -8.504956 1 559 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 97.66 -19.624668 3.5880966 -7.3390627 1 560 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 97.66 -21.130936 3.7621589 -7.4823685 1 561 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 97.27 -21.601988 4.6826453 -8.145048 1 562 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 97.27 -19.14096 4.284713 -6.0645967 1 563 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 97.66 -21.867659 2.8575864 -6.8756423 1 564 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 97.27 -23.322594 2.9522321 -6.7671833 1 565 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 97.27 -23.64495 2.807145 -5.2823086 1 566 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 96.88 -23.705555 1.6964993 -4.759956 1 567 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 96.48 -24.017235 1.8603625 -7.587254 1 568 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 94.92 -25.533333 2.0065544 -7.604981 1 569 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 93.75 -26.074997 2.7431571 -6.756497 1 570 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 91.8 -26.179203 1.3840935 -8.472939 1 571 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 96.88 -23.824158 3.9659688 -4.618062 1 572 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 96.48 -24.026821 3.9184742 -3.1768637 1 573 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 96.88 -25.366287 3.297997 -2.785444 1 574 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 96.09 -25.525185 2.8547032 -1.6447843 1 575 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 94.53 -23.89471 5.3199396 -2.5646377 1 576 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 91.8 -24.890484 6.338422 -3.091149 1 577 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 91.02 -24.608742 7.714758 -2.4776978 1 578 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 87.11 -25.534828 8.7616825 -3.0557685 1 579 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 84.38 -25.230465 10.111081 -2.5080407 1 580 +ATOM N N . SER A0 1 75 . 75 SER A0 N 96.88 -26.337505 3.2329412 -3.7310376 1 581 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 96.48 -27.637316 2.6450803 -3.4151602 1 582 +ATOM C C . SER A0 1 75 . 75 SER A0 C 96.88 -27.541214 1.1400323 -3.1639018 1 583 +ATOM O O . SER A0 1 75 . 75 SER A0 O 96.09 -28.378948 0.57899904 -2.454245 1 584 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 95.7 -28.640507 2.9184833 -4.5416946 1 585 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 91.8 -28.331068 2.182181 -5.705749 1 586 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 97.27 -26.519142 0.48125473 -3.7550406 1 587 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 97.27 -26.309813 -0.9420024 -3.524557 1 588 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 97.27 -24.946632 -1.2149408 -2.903547 1 589 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 96.88 -24.46067 -2.3533 -2.9263859 1 590 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 96.88 -26.471148 -1.7672596 -4.8267865 1 591 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 95.7 -25.536415 -1.2694345 -5.9095483 1 592 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 94.53 -27.92284 -1.7258509 -5.2966685 1 593 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 92.58 -25.467682 -2.1648955 -7.139839 1 594 +ATOM N N . SER A0 1 77 . 77 SER A0 N 97.27 -24.327358 -0.17947535 -2.3359082 1 595 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 97.66 -23.066687 -0.30080226 -1.6136684 1 596 +ATOM C C . SER A0 1 77 . 77 SER A0 C 97.66 -22.005058 -1.0294424 -2.4298618 1 597 +ATOM O O . SER A0 1 77 . 77 SER A0 O 97.27 -21.289972 -1.8899852 -1.9120581 1 598 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 96.88 -23.28492 -1.0092763 -0.27357057 1 599 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 94.53 -24.210392 -0.315087 0.54089314 1 600 +ATOM N N . THR A0 1 78 . 78 THR A0 N 98.05 -21.879292 -0.650923 -3.7091353 1 601 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 98.05 -20.974327 -1.3492113 -4.6067533 1 602 +ATOM C C . THR A0 1 78 . 78 THR A0 C 97.66 -20.057901 -0.3724842 -5.3465414 1 603 +ATOM O O . THR A0 1 78 . 78 THR A0 O 97.66 -20.511415 0.6576619 -5.8535337 1 604 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 97.66 -21.755043 -2.1973453 -5.621313 1 605 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 95.7 -22.564804 -3.1473224 -4.9074793 1 606 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 96.09 -20.818932 -2.9560652 -6.554151 1 607 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 98.44 -18.774239 -0.7274476 -5.4043794 1 608 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 98.44 -17.77743 -0.00034528924 -6.1727395 1 609 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 98.44 -17.334366 -0.8814633 -7.3358965 1 610 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 98.44 -17.292273 -2.1087902 -7.2080774 1 611 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 97.27 -16.575872 0.39203686 -5.285512 1 612 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 93.75 -17.01099 1.4308672 -4.259882 1 613 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 92.58 -15.4349375 0.93819624 -6.1184883 1 614 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 98.05 -16.994957 -0.25159147 -8.488747 1 615 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 98.05 -16.626083 -0.9759003 -9.694944 1 616 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 98.05 -15.262028 -0.5477179 -10.219786 1 617 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 97.66 -14.843557 0.5997195 -10.0399885 1 618 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 97.66 -17.66388 -0.76161283 -10.80636 1 619 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 97.66 -19.07108 -1.143275 -10.420962 1 620 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 96.88 -19.973352 -0.17880577 -9.985191 1 621 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 96.48 -19.495129 -2.4586263 -10.505344 1 622 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 96.09 -21.265797 -0.52428246 -9.631702 1 623 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 96.09 -20.787453 -2.813468 -10.155177 1 624 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 96.88 -21.668385 -1.8438276 -9.721975 1 625 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 96.09 -22.941624 -2.181284 -9.370613 1 626 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 98.44 -14.600505 -1.4865617 -10.871305 1 627 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 98.05 -13.379921 -1.2339464 -11.624768 1 628 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 98.05 -13.64146 -1.699162 -13.05055 1 629 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 98.05 -14.032324 -2.8541107 -13.256617 1 630 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 98.05 -12.193629 -1.9923081 -11.025827 1 631 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 96.88 -10.835754 -1.7957735 -11.714759 1 632 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 96.48 -9.809742 -2.7630713 -11.120171 1 633 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 96.48 -10.358065 -0.35718364 -11.582016 1 634 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 98.05 -13.444458 -0.8032272 -14.035001 1 635 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 98.05 -13.861978 -1.0901682 -15.402882 1 636 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 98.44 -12.7456045 -0.83988905 -16.407343 1 637 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 97.66 -11.989578 0.13318413 -16.28055 1 638 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 97.27 -15.093183 -0.25253195 -15.772853 1 639 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 92.97 -15.623573 -0.51420176 -17.170567 1 640 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 91.02 -16.899178 0.24567142 -17.46642 1 641 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 86.72 -17.595032 0.68722236 -16.5492 1 642 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 84.77 -17.228779 0.40598756 -18.732807 1 643 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 98.05 -12.647617 -1.7137321 -17.403698 1 644 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 97.66 -11.787167 -1.5518069 -18.565014 1 645 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 97.66 -12.671877 -1.4511118 -19.808508 1 646 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 97.27 -13.63261 -2.226554 -19.955784 1 647 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 96.88 -10.856413 -2.756239 -18.746475 1 648 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 96.48 -9.834148 -2.9915414 -17.676962 1 649 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 93.36 -8.522947 -2.636313 -17.707256 1 650 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 96.09 -10.025438 -3.663279 -16.433287 1 651 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 92.97 -7.905025 -3.0556264 -16.557606 1 652 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 95.31 -8.803977 -3.6770597 -15.758657 1 653 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 94.14 -11.151587 -4.251745 -15.823172 1 654 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 94.92 -8.646593 -4.2683296 -14.506844 1 655 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 94.14 -10.9888 -4.8336706 -14.575502 1 656 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 94.14 -9.747263 -4.8259478 -13.935181 1 657 +ATOM N N . SER A0 1 84 . 84 SER A0 N 97.27 -12.33865 -0.5458598 -20.700405 1 658 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 96.88 -13.060717 -0.47475785 -21.972366 1 659 +ATOM C C . SER A0 1 84 . 84 SER A0 C 96.88 -12.456419 -1.4066024 -23.015888 1 660 +ATOM O O . SER A0 1 84 . 84 SER A0 O 95.7 -13.154962 -1.8421512 -23.933846 1 661 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 95.7 -13.050699 0.96033865 -22.507284 1 662 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 91.8 -11.731438 1.38667 -22.76412 1 663 +ATOM N N . SER A0 1 85 . 85 SER A0 N 96.88 -11.169439 -1.703915 -22.867678 1 664 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 96.48 -10.468441 -2.6010318 -23.798424 1 665 +ATOM C C . SER A0 1 85 . 85 SER A0 C 96.88 -9.337475 -3.2927234 -23.043365 1 666 +ATOM O O . SER A0 1 85 . 85 SER A0 O 96.48 -8.299707 -2.6842737 -22.783375 1 667 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 96.09 -9.931696 -1.8258584 -24.999325 1 668 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 92.58 -9.286726 -2.6973352 -25.921741 1 669 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 96.88 -9.535869 -4.561571 -22.720654 1 670 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 96.88 -8.566511 -5.31109 -21.935186 1 671 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 96.48 -7.320567 -5.651541 -22.751968 1 672 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 96.09 -7.393223 -5.8756466 -23.963825 1 673 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 96.88 -9.198181 -6.6039104 -21.41359 1 674 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 96.48 -10.202862 -6.4504414 -20.269138 1 675 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 95.7 -11.067753 -7.702701 -20.168694 1 676 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 94.92 -9.460846 -6.2049837 -18.955803 1 677 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 96.09 -6.182541 -5.6858244 -22.055285 1 678 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 95.7 -4.9088 -6.132241 -22.611488 1 679 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 96.48 -4.456352 -7.383758 -21.86713 1 680 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 95.7 -4.8499155 -7.6089582 -20.724588 1 681 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 95.31 -3.8428893 -5.042656 -22.47496 1 682 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 92.58 -4.20802 -3.7076828 -23.104345 1 683 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 88.67 -3.153616 -2.6585183 -22.777302 1 684 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 83.59 -3.4985948 -1.317127 -23.375383 1 685 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 77.34 -2.503017 -0.2842356 -23.00175 1 686 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 93.75 -3.609322 -8.179361 -22.532772 1 687 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 93.36 -3.0792365 -9.372683 -21.872118 1 688 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 94.53 -2.3327265 -9.007416 -20.592987 1 689 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 94.14 -2.3337498 -9.772507 -19.627075 1 690 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 92.19 -2.1646738 -10.13994 -22.828754 1 691 +ATOM N N . SER A0 1 89 . 89 SER A0 N 94.92 -1.7018561 -7.819826 -20.58577 1 692 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 94.14 -0.9545324 -7.37159 -19.419685 1 693 +ATOM C C . SER A0 1 89 . 89 SER A0 C 94.92 -1.8543375 -6.982687 -18.249538 1 694 +ATOM O O . SER A0 1 89 . 89 SER A0 O 94.14 -1.3397241 -6.66351 -17.169132 1 695 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 93.36 -0.04538964 -6.1912518 -19.794228 1 696 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 89.45 -0.7950239 -5.1062155 -20.296629 1 697 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 96.48 -3.1707654 -6.990513 -18.438934 1 698 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 96.48 -4.0988884 -6.737525 -17.34174 1 699 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 96.48 -4.35466 -7.9875727 -16.499924 1 700 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 96.09 -5.0914826 -7.9135027 -15.509989 1 701 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 96.88 -5.4404902 -6.2026305 -17.875902 1 702 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 96.88 -5.313256 -4.8034883 -18.446857 1 703 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 96.09 -5.9276123 -4.538593 -19.50859 1 704 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 95.7 -4.6129365 -3.9668262 -17.830877 1 705 +ATOM N N . THR A0 1 91 . 91 THR A0 N 94.53 -3.7772813 -9.122131 -16.87843 1 706 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 94.53 -3.9263039 -10.345367 -16.104017 1 707 +ATOM C C . THR A0 1 91 . 91 THR A0 C 95.31 -3.3243911 -10.138197 -14.718565 1 708 +ATOM O O . THR A0 1 91 . 91 THR A0 O 94.92 -2.1311655 -9.869059 -14.586904 1 709 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 93.75 -3.2459335 -11.526963 -16.81254 1 710 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 92.58 -3.8930995 -11.773057 -18.064892 1 711 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 92.19 -3.2958362 -12.784754 -15.952887 1 712 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 95.31 -4.1541824 -10.24795 -13.694742 1 713 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 95.7 -3.7078915 -9.99188 -12.330734 1 714 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 95.7 -4.8437567 -10.26034 -11.358069 1 715 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 95.31 -5.995226 -10.436138 -11.7588625 1 716 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 96.09 -3.2275841 -8.539261 -12.174211 1 717 +ATOM N N . MET A0 1 93 . 93 MET A0 N 96.88 -4.4944606 -10.282233 -10.066864 1 718 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 96.88 -5.4919424 -10.279061 -9.001846 1 719 +ATOM C C . MET A0 1 93 . 93 MET A0 C 97.27 -5.785152 -8.83393 -8.6457815 1 720 +ATOM O O . MET A0 1 93 . 93 MET A0 O 97.27 -4.8603406 -8.01074 -8.521854 1 721 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 96.48 -4.9693375 -11.0289955 -7.775273 1 722 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 94.14 -5.9828086 -11.13739 -6.638315 1 723 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 92.58 -7.304284 -12.2997875 -6.997985 1 724 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 89.06 -6.428286 -13.853189 -6.779442 1 725 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 98.05 -7.061058 -8.499323 -8.507326 1 726 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 98.05 -7.478532 -7.147951 -8.152511 1 727 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 98.05 -8.21349 -7.168764 -6.8161116 1 728 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 98.05 -9.153289 -7.948531 -6.627556 1 729 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 98.05 -8.364602 -6.545131 -9.252745 1 730 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 98.05 -7.6136 -6.341701 -10.545537 1 731 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 96.88 -7.516312 -7.3606453 -11.488113 1 732 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 96.09 -6.958696 -5.1447906 -10.804457 1 733 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 96.88 -6.7913327 -7.1891003 -12.658816 1 734 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 96.88 -6.232874 -4.959818 -11.974691 1 735 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 97.66 -6.1544876 -5.9876075 -12.894886 1 736 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 97.27 -5.431106 -5.816467 -14.04921 1 737 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 98.44 -7.759282 -6.3198376 -5.8907657 1 738 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 98.44 -8.360838 -6.217902 -4.571291 1 739 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 98.44 -9.020475 -4.8590946 -4.3772945 1 740 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 98.05 -8.479012 -3.8368652 -4.806361 1 741 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 98.44 -7.301413 -6.37866 -3.470318 1 742 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 97.66 -6.6425257 -7.7282248 -3.3980956 1 743 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 96.48 -5.3676744 -7.9311275 -3.9183738 1 744 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 96.09 -7.2743187 -8.800307 -2.778915 1 745 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 96.09 -4.751539 -9.166798 -3.8310728 1 746 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 96.09 -6.6622124 -10.037297 -2.690226 1 747 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 97.27 -5.4041443 -10.210603 -3.217339 1 748 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 96.48 -4.7933145 -11.42584 -3.1313765 1 749 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 98.44 -10.176236 -4.836815 -3.72937 1 750 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 98.44 -10.7326565 -3.5925999 -3.2080946 1 751 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 98.83 -10.469007 -3.5595574 -1.7113786 1 752 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 98.44 -10.301931 -4.606394 -1.0735583 1 753 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 96.48 -12.232847 -3.46785 -3.503645 1 754 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 96.09 -13.280371 -4.7162876 -2.747041 1 755 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 98.44 -10.379414 -2.3436325 -1.1530514 1 756 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 98.05 -10.085536 -2.2093835 0.26592308 1 757 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 98.05 -10.635433 -0.8864229 0.78910697 1 758 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 98.05 -10.627172 0.1206821 0.07865699 1 759 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 98.05 -8.579839 -2.2985902 0.5186153 1 760 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 97.27 -11.121643 -0.8921987 2.0487118 1 761 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 97.27 -11.652405 0.31224072 2.6707392 1 762 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 97.27 -10.515898 1.176429 3.1808162 1 763 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 96.88 -9.635912 0.6992762 3.9094214 1 764 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 96.88 -12.598643 -0.041783564 3.8267074 1 765 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 95.7 -13.335037 1.175072 4.383941 1 766 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 94.53 -14.253228 0.79911846 5.5291033 1 767 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 92.97 -13.513216 0.61398494 6.7714896 1 768 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 92.58 -14.077436 0.53644896 7.9702997 1 769 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 90.62 -15.395304 0.64826286 8.094072 1 770 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 91.02 -13.327002 0.35211086 9.039596 1 771 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 96.88 -10.537017 2.4518933 2.7862368 1 772 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 96.48 -9.479412 3.390758 3.1417313 1 773 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 96.48 -9.892483 4.251289 4.3332005 1 774 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 96.09 -10.912912 4.9474335 4.276247 1 775 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 95.7 -9.142531 4.2866726 1.9453299 1 776 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 95.31 -7.946414 5.1657324 2.1527114 1 777 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 92.19 -8.02486 6.5451174 2.103231 1 778 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 92.19 -6.654712 4.8722067 2.377368 1 779 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 91.41 -6.8170676 7.0568585 2.3009639 1 780 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 92.19 -5.9618573 6.0582256 2.4699266 1 781 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 95.31 -9.110244 4.1862345 5.397383 1 782 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 94.53 -9.312717 4.9982023 6.59114 1 783 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 94.14 -8.374308 6.204403 6.5254116 1 784 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 92.58 -7.1783314 6.0407615 6.2792745 1 785 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 94.14 -9.036668 4.2011247 7.8784013 1 786 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 93.36 -9.999022 3.0128236 7.993289 1 787 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 91.8 -9.124063 5.102099 9.106903 1 788 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 91.02 -11.443992 3.3965778 8.206335 1 789 +ATOM N N . THR A0 1 101 . 101 THR A0 N 92.58 -8.9307375 7.3997025 6.7340918 1 790 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 92.19 -8.113125 8.604012 6.8101816 1 791 +ATOM C C . THR A0 1 101 . 101 THR A0 C 92.19 -8.129191 9.11452 8.252051 1 792 +ATOM O O . THR A0 1 101 . 101 THR A0 O 91.02 -9.165442 9.565844 8.747944 1 793 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 91.02 -8.628876 9.707464 5.8679314 1 794 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 88.67 -10.025872 9.914763 6.088878 1 795 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 87.89 -8.404806 9.323211 4.4121504 1 796 +ATOM N N . THR A0 1 102 . 102 THR A0 N 91.8 -6.980895 9.036685 8.928207 1 797 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 91.02 -6.888792 9.54749 10.293232 1 798 +ATOM C C . THR A0 1 102 . 102 THR A0 C 91.02 -6.837181 11.0695305 10.304752 1 799 +ATOM O O . THR A0 1 102 . 102 THR A0 O 89.84 -7.294324 11.700335 11.260189 1 800 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 89.84 -5.6650305 8.973463 11.024313 1 801 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 87.5 -4.487982 9.216396 10.258957 1 802 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 86.33 -5.819332 7.472218 11.234801 1 803 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 89.45 -6.2770705 11.65522 9.256271 1 804 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 89.45 -6.3354406 13.081192 8.990393 1 805 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 89.45 -5.9195843 13.312778 7.5470223 1 806 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 88.28 -5.6753163 12.35 6.8126335 1 807 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 88.67 -5.4761767 13.892534 9.97867 1 808 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 87.89 -4.0125475 13.582223 9.954233 1 809 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 84.38 -3.1637177 14.140699 9.012993 1 810 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 83.98 -3.245798 12.805433 10.746056 1 811 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 83.59 -1.9265836 13.70387 9.232471 1 812 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 83.59 -1.9628395 12.885199 10.279869 1 813 +ATOM N N . THR A0 1 104 . 104 THR A0 N 88.67 -5.8225307 14.569779 7.1131783 1 814 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 88.67 -5.5989103 14.892046 5.7139664 1 815 +ATOM C C . THR A0 1 104 . 104 THR A0 C 88.67 -4.3632483 14.220323 5.128037 1 816 +ATOM O O . THR A0 1 104 . 104 THR A0 O 87.5 -4.3437543 13.8827305 3.939819 1 817 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 87.5 -5.4848 16.42292 5.542858 1 818 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 85.16 -6.6655216 17.037573 6.0811453 1 819 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 84.38 -5.3470936 16.81063 4.0680923 1 820 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 89.45 -3.3343933 14.009897 5.9264736 1 821 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 89.45 -2.0517116 13.525334 5.436459 1 822 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 90.62 -1.7235925 12.099506 5.8655033 1 823 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 89.45 -0.56183267 11.693045 5.805914 1 824 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 87.5 -0.93554795 14.463936 5.902098 1 825 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 85.55 -1.2099899 15.916534 5.5891466 1 826 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 82.81 -1.611799 16.804726 6.581367 1 827 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 81.64 -1.0814753 16.40332 4.2946696 1 828 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 79.3 -1.8757284 18.132088 6.2880774 1 829 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 78.52 -1.3404546 17.7297 3.9990609 1 830 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 78.52 -1.7344704 18.59475 4.994718 1 831 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 77.73 -1.9964175 19.904453 4.7058144 1 832 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 91.41 -2.7306814 11.316453 6.27149 1 833 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 91.8 -2.45813 9.99762 6.822244 1 834 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 92.19 -3.617321 9.057711 6.5041165 1 835 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 91.02 -4.7793293 9.420676 6.70716 1 836 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 90.23 -2.2590623 10.119467 8.33951 1 837 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 87.11 -1.6771072 8.9311075 9.024931 1 838 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 84.77 -1.4655142 9.256411 10.498367 1 839 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 82.03 -0.5811907 10.396952 10.68626 1 840 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 80.08 -0.40289667 11.002688 11.848771 1 841 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 76.56 0.41880658 12.050123 11.919929 1 842 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 76.56 -1.0274954 10.572336 12.922474 1 843 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 94.53 -3.3139756 7.8618093 6.0299635 1 844 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 94.53 -4.3612237 6.9054794 5.7162504 1 845 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 95.31 -3.8267207 5.5046597 5.50003 1 846 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 94.53 -2.6246057 5.301823 5.300267 1 847 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 96.48 -4.733156 4.51573 5.5279512 1 848 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 96.09 -4.3800106 3.1109085 5.3779798 1 849 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 96.88 -5.6285686 2.3226871 5.007807 1 850 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 96.09 -6.7435465 2.8402343 5.0808916 1 851 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 96.09 -3.755825 2.5582762 6.6700945 1 852 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 95.7 -4.6084533 2.800805 7.8960958 1 853 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 94.53 -4.4451103 3.953238 8.644051 1 854 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 94.14 -5.57573 1.8915821 8.276789 1 855 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 92.97 -5.2330923 4.197565 9.767813 1 856 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 93.36 -6.36305 2.1230114 9.390809 1 857 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 93.75 -6.18955 3.2769146 10.139226 1 858 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 97.27 -5.4499035 1.0435464 4.615815 1 859 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 97.27 -6.5602083 0.16267577 4.2752304 1 860 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 97.27 -6.7731647 -0.840634 5.405295 1 861 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 96.88 -5.8957796 -1.6615254 5.6760154 1 862 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 97.27 -6.268904 -0.5895381 2.974954 1 863 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 97.27 -6.1448746 0.29456675 1.7616308 1 864 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 96.48 -4.936437 0.41675937 1.0866706 1 865 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 96.48 -7.2460313 0.9904736 1.2852129 1 866 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 95.7 -4.8335485 1.2195189 -0.038967688 1 867 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 96.09 -7.1474533 1.799639 0.16109464 1 868 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 96.48 -5.9377537 1.9082868 -0.5022546 1 869 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 96.88 -7.9295244 -0.7813706 6.080611 1 870 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 96.48 -8.128775 -1.6744311 7.2206345 1 871 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 96.88 -8.872753 -2.9581208 6.8771896 1 872 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 96.88 -8.685438 -3.9680164 7.5647054 1 873 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 95.31 -8.8002405 -0.95343953 8.39867 1 874 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 93.75 -10.217913 -0.4509074 8.126406 1 875 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 91.8 -10.648694 -0.44317985 6.9595337 1 876 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 90.62 -10.896389 -0.06701953 9.110244 1 877 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 97.27 -9.708683 -2.972075 5.842403 1 878 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 97.27 -10.404249 -4.18344 5.425192 1 879 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 97.66 -10.267757 -4.3589125 3.9216127 1 880 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 97.66 -10.374118 -3.3902764 3.1654606 1 881 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 96.48 -11.8859825 -4.1419325 5.822751 1 882 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 94.53 -12.122421 -4.3412657 7.2928905 1 883 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 92.19 -12.230411 -3.2491627 8.145763 1 884 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 91.8 -12.216253 -5.615041 7.822056 1 885 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 89.84 -12.430797 -3.4293497 9.505201 1 886 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 89.45 -12.415979 -5.8012753 9.185926 1 887 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 89.84 -12.52627 -4.705378 10.025639 1 888 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 98.05 -10.026939 -5.5969296 3.496678 1 889 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 98.44 -9.802687 -5.9292774 2.0946412 1 890 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 98.05 -10.827631 -6.947588 1.611173 1 891 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 97.66 -11.263643 -7.817749 2.3701115 1 892 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 98.05 -8.400084 -6.519094 1.8992301 1 893 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 98.44 -7.271777 -5.5895014 2.1841028 1 894 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 97.66 -6.9327583 -5.0557365 3.4004421 1 895 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 98.44 -6.310254 -5.098844 1.2449775 1 896 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 97.66 -5.8167934 -4.25935 3.2656412 1 897 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 98.05 -5.4268427 -4.265673 1.9567658 1 898 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 98.05 -6.1220436 -5.27738 -0.13301247 1 899 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 98.05 -4.345004 -3.6209161 1.334657 1 900 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 97.66 -5.060754 -4.638811 -0.7440073 1 901 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 97.66 -4.193103 -3.816758 -0.015605124 1 902 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 98.05 -11.18202 -6.845936 0.32426327 1 903 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 98.05 -11.973141 -7.890168 -0.3132537 1 904 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 98.05 -11.122567 -9.119757 -0.5538413 1 905 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 97.66 -9.899052 -9.098282 -0.38931996 1 906 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 97.27 -11.756853 -10.213101 -0.9736482 1 907 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 97.27 -11.049568 -11.469612 -1.1651399 1 908 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 97.27 -10.24741 -11.506442 -2.4572291 1 909 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 96.48 -9.4370575 -12.415821 -2.6580415 1 910 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 96.48 -12.031245 -12.654211 -1.1244551 1 911 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 95.7 -12.783178 -12.933977 -2.4368052 1 912 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 95.7 -14.003084 -12.065218 -2.6525517 1 913 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 94.14 -14.188186 -11.023445 -1.9809304 1 914 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 92.97 -14.862242 -12.480791 -3.5964875 1 915 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 96.88 -10.461359 -10.539414 -3.3336067 1 916 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 96.88 -9.75133 -10.473492 -4.598279 1 917 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 96.88 -10.545569 -11.041618 -5.7613716 1 918 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 96.48 -11.374649 -11.935384 -5.587424 1 919 +ATOM N N . THR A0 1 116 . 116 THR A0 N 96.48 -10.296476 -10.495216 -6.9567585 1 920 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 96.88 -10.89338 -10.995607 -8.188245 1 921 +ATOM C C . THR A0 1 116 . 116 THR A0 C 96.88 -9.76644 -11.251319 -9.184708 1 922 +ATOM O O . THR A0 1 116 . 116 THR A0 O 96.48 -9.01462 -10.332296 -9.524359 1 923 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 96.88 -11.889648 -9.986071 -8.792177 1 924 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 96.09 -12.972313 -9.768004 -7.885339 1 925 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 95.7 -12.432709 -10.493513 -10.121334 1 926 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 94.92 -9.645026 -12.499985 -9.646271 1 927 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 94.14 -8.628501 -12.845989 -10.630877 1 928 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 94.92 -9.158259 -12.548604 -12.031198 1 929 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 94.53 -10.216031 -13.048081 -12.422164 1 930 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 92.97 -8.235092 -14.320946 -10.518246 1 931 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 89.45 -7.17235 -14.800232 -11.503055 1 932 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 87.11 -6.98605 -16.302952 -11.402863 1 933 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 86.72 -5.8510957 -14.061621 -11.294216 1 934 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 95.31 -8.421244 -11.72871 -12.770822 1 935 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 95.31 -8.7683525 -11.403981 -14.148651 1 936 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 94.92 -7.7040243 -12.004059 -15.057001 1 937 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 94.14 -6.5153484 -11.701654 -14.912258 1 938 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 96.09 -8.865637 -9.879713 -14.373491 1 939 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 95.31 -9.110628 -9.571152 -15.847899 1 940 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 95.31 -9.976528 -9.287567 -13.499121 1 941 +ATOM N N . THR A0 1 119 . 119 THR A0 N 94.14 -8.122893 -12.873163 -15.975351 1 942 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 93.75 -7.2258368 -13.488822 -16.944359 1 943 +ATOM C C . THR A0 1 119 . 119 THR A0 C 94.14 -7.596629 -12.980923 -18.33358 1 944 +ATOM O O . THR A0 1 119 . 119 THR A0 O 94.14 -8.750621 -13.106731 -18.753078 1 945 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 92.58 -7.315358 -15.019806 -16.896072 1 946 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 91.02 -6.9843235 -15.475807 -15.576572 1 947 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 90.62 -6.3704357 -15.65648 -17.905678 1 948 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 95.7 -6.628055 -12.398636 -19.02945 1 949 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 95.31 -6.861045 -11.866177 -20.367378 1 950 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 94.53 -5.948683 -12.605343 -21.338245 1 951 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 93.75 -4.7258782 -12.541056 -21.223284 1 952 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 95.7 -6.60097 -10.34626 -20.440262 1 953 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 94.92 -6.9907875 -9.811151 -21.811779 1 954 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 94.14 -7.365576 -9.616964 -19.334457 1 955 +ATOM N N . SER A0 1 121 . 121 SER A0 N 94.92 -6.544422 -13.298607 -22.283758 1 956 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 94.53 -5.7822747 -14.09009 -23.239517 1 957 +ATOM C C . SER A0 1 121 . 121 SER A0 C 94.53 -6.611657 -14.316778 -24.50084 1 958 +ATOM O O . SER A0 1 121 . 121 SER A0 O 94.14 -7.84111 -14.40291 -24.4314 1 959 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 94.14 -5.3795724 -15.436569 -22.632717 1 960 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 92.58 -4.7676597 -16.274506 -23.59398 1 961 +ATOM N N . SER A0 1 122 . 122 SER A0 N 94.92 -5.910648 -14.428549 -25.641983 1 962 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 93.75 -6.5864506 -14.752312 -26.900845 1 963 +ATOM C C . SER A0 1 122 . 122 SER A0 C 94.14 -6.8601255 -16.24527 -27.036518 1 964 +ATOM O O . SER A0 1 122 . 122 SER A0 O 92.58 -7.538453 -16.666271 -27.979097 1 965 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 92.58 -5.748694 -14.272672 -28.093836 1 966 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 89.45 -4.475812 -14.898913 -28.114214 1 967 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 94.14 -6.3208237 -17.047527 -26.09826 1 968 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 94.14 -6.5015087 -18.490477 -26.153467 1 969 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 94.14 -7.9591866 -18.87234 -25.914438 1 970 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 92.97 -8.678366 -18.1964 -25.192215 1 971 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 93.36 -5.607487 -19.181398 -25.130152 1 972 +ATOM N N . SER A0 1 124 . 124 SER A0 N 93.36 -8.353981 -19.973864 -26.553846 1 973 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 92.97 -9.688164 -20.52494 -26.349918 1 974 +ATOM C C . SER A0 1 124 . 124 SER A0 C 93.75 -9.622715 -21.642883 -25.320011 1 975 +ATOM O O . SER A0 1 124 . 124 SER A0 O 92.97 -8.5762825 -22.270514 -25.128906 1 976 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 91.8 -10.26066 -21.061926 -27.663044 1 977 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 87.5 -10.366328 -20.038294 -28.641716 1 978 +ATOM N N . THR A0 1 125 . 125 THR A0 N 93.75 -10.748278 -21.880161 -24.673756 1 979 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 94.14 -10.802097 -22.95512 -23.68683 1 980 +ATOM C C . THR A0 1 125 . 125 THR A0 C 94.14 -10.379629 -24.2706 -24.33287 1 981 +ATOM O O . THR A0 1 125 . 125 THR A0 O 93.75 -10.891138 -24.644764 -25.39075 1 982 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 92.97 -12.217884 -23.085232 -23.098576 1 983 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 91.02 -12.573733 -21.863535 -22.441788 1 984 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 90.23 -12.298149 -24.23609 -22.106468 1 985 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 96.09 -9.447946 -24.951405 -23.683699 1 986 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 96.09 -8.905715 -26.195038 -24.223873 1 987 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 96.48 -8.554016 -27.135529 -23.081207 1 988 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 96.09 -7.9061565 -26.728643 -22.109196 1 989 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 95.7 -7.6620073 -25.918337 -25.077288 1 990 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 94.53 -7.0313673 -27.176199 -25.674519 1 991 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 92.97 -5.780389 -26.838058 -26.472569 1 992 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 90.23 -5.152129 -28.070389 -27.116959 1 993 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 87.11 -4.7426014 -29.068127 -26.084034 1 994 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 96.88 -8.969605 -28.376585 -23.20285 1 995 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 96.48 -8.617323 -29.384909 -22.21449 1 996 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 96.88 -7.1887493 -29.860271 -22.38686 1 997 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 96.48 -6.624842 -29.77414 -23.48079 1 998 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 97.27 -6.5821414 -30.381584 -21.312439 1 999 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 97.27 -5.1749706 -30.774067 -21.386652 1 1000 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 97.27 -4.9654226 -32.13479 -22.02849 1 1001 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 96.88 -5.856776 -32.984787 -22.031433 1 1002 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 96.88 -4.74607 -30.825861 -19.914082 1 1003 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 96.09 -5.994138 -31.23922 -19.205545 1 1004 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 96.48 -7.122853 -30.531454 -19.93776 1 1005 +ATOM N N . SER A0 1 129 . 129 SER A0 N 97.66 -3.7591853 -32.31631 -22.575571 1 1006 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 97.27 -3.256673 -33.645126 -22.909996 1 1007 +ATOM C C . SER A0 1 129 . 129 SER A0 C 97.66 -2.447658 -34.108566 -21.708748 1 1008 +ATOM O O . SER A0 1 129 . 129 SER A0 O 97.27 -1.7026772 -33.310112 -21.118423 1 1009 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 96.88 -2.3807006 -33.60206 -24.161879 1 1010 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 92.58 -3.0990956 -33.114742 -25.285128 1 1011 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 97.27 -2.591895 -35.35681 -21.333628 1 1012 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 97.27 -1.9068978 -35.884968 -20.160532 1 1013 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 97.66 -0.9277873 -36.968307 -20.604778 1 1014 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 96.88 -1.3305085 -37.977654 -21.199055 1 1015 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 97.66 -2.9009533 -36.439632 -19.123167 1 1016 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 95.7 -2.1625016 -36.925137 -17.88058 1 1017 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 94.92 -3.9280815 -35.368774 -18.746603 1 1018 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 97.27 0.3522119 -36.753075 -20.323204 1 1019 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 97.66 1.4073278 -37.672935 -20.724594 1 1020 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 97.27 2.1131015 -38.23819 -19.497267 1 1021 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 97.66 2.2742803 -37.525627 -18.492422 1 1022 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 97.27 2.4312901 -36.974823 -21.622402 1 1023 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 97.27 1.8352857 -36.35298 -22.852789 1 1024 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 93.75 1.8767018 -34.983887 -23.038906 1 1025 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 93.36 1.2546861 -37.14988 -23.818047 1 1026 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 92.97 1.3299983 -34.41159 -24.17557 1 1027 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 93.75 0.70355165 -36.58908 -24.95449 1 1028 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 95.7 0.7418034 -35.217587 -25.130299 1 1029 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 97.27 2.5490537 -39.491226 -19.564568 1 1030 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 97.27 3.226563 -40.07853 -18.405058 1 1031 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 97.27 4.6777773 -39.630775 -18.302662 1 1032 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 96.88 5.355713 -39.434906 -19.317696 1 1033 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 96.88 3.1368532 -41.58771 -18.672054 1 1034 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 95.31 3.1534302 -41.683792 -20.16006 1 1035 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 96.48 2.373609 -40.48169 -20.647703 1 1036 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 96.88 5.125534 -39.439323 -17.087715 1 1037 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 96.88 6.537496 -39.297466 -16.756628 1 1038 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 96.09 6.936638 -40.633312 -16.156048 1 1039 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 95.31 6.7935643 -40.867207 -14.959401 1 1040 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 97.27 6.7604146 -38.142365 -15.774664 1 1041 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 97.27 6.3468313 -36.76228 -16.28778 1 1042 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 94.14 6.3488393 -35.74402 -15.158167 1 1043 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 92.97 7.257228 -36.30951 -17.416363 1 1044 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 94.92 7.395625 -41.542164 -17.02937 1 1045 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 94.14 7.5813856 -42.94126 -16.656574 1 1046 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 94.14 8.819237 -43.144382 -15.781709 1 1047 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 92.97 9.878975 -42.5785 -16.05375 1 1048 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 93.36 7.6782312 -43.811398 -17.905909 1 1049 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 92.19 8.684179 -43.97487 -14.748267 1 1050 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 91.41 9.848648 -44.285854 -13.915653 1 1051 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 89.84 10.826905 -45.18206 -14.666898 1 1052 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 87.11 10.432552 -46.01728 -15.476828 1 1053 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 91.02 9.231228 -45.012085 -12.712076 1 1054 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 89.45 7.997696 -45.637085 -13.26532 1 1055 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 89.84 7.479317 -44.675476 -14.297842 1 1056 +ATOM N N . SER A0 1 136 . 136 SER A0 N 83.98 12.107028 -44.99385 -14.397718 1 1057 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 83.59 13.155639 -45.7919 -15.024305 1 1058 +ATOM C C . SER A0 1 136 . 136 SER A0 C 84.38 14.401768 -45.713165 -14.159442 1 1059 +ATOM O O . SER A0 1 136 . 136 SER A0 O 81.64 14.382603 -45.121185 -13.0726185 1 1060 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 80.47 13.4556675 -45.283882 -16.432457 1 1061 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 76.56 14.113916 -44.02426 -16.376059 1 1062 +ATOM N N . SER A0 1 137 . 137 SER A0 N 80.47 15.47197 -46.26603 -14.656246 1 1063 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 79.3 16.73167 -46.187195 -13.928588 1 1064 +ATOM C C . SER A0 1 137 . 137 SER A0 C 80.08 17.225094 -44.749012 -13.833361 1 1065 +ATOM O O . SER A0 1 137 . 137 SER A0 O 76.56 18.049372 -44.439198 -12.966505 1 1066 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 75.78 17.790562 -47.06019 -14.607799 1 1067 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 71.09 18.082668 -46.610657 -15.917765 1 1068 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 78.52 16.721199 -43.879284 -14.720516 1 1069 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 76.95 17.099293 -42.46579 -14.708786 1 1070 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 76.95 16.272718 -41.653404 -13.715588 1 1071 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 73.05 16.576124 -40.47869 -13.490521 1 1072 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 74.22 16.94073 -41.872 -16.114174 1 1073 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 70.31 17.73964 -42.606613 -17.19106 1 1074 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 67.19 19.243515 -42.520298 -16.928738 1 1075 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 63.67 20.047503 -43.202377 -18.031677 1 1076 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 60.55 21.49939 -43.14046 -17.77515 1 1077 +ATOM N N . SER A0 1 139 . 139 SER A0 N 79.3 15.20591 -42.236008 -13.146627 1 1078 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 78.52 14.382933 -41.569878 -12.146543 1 1079 +ATOM C C . SER A0 1 139 . 139 SER A0 C 79.3 14.308577 -42.396828 -10.879563 1 1080 +ATOM O O . SER A0 1 139 . 139 SER A0 O 76.17 13.293055 -42.42269 -10.203754 1 1081 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 76.17 12.979572 -41.307594 -12.696636 1 1082 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 73.05 12.31269 -42.523636 -12.988066 1 1083 +ATOM N N . THR A0 1 140 . 140 THR A0 N 79.69 15.4104595 -43.09011 -10.573321 1 1084 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 79.3 15.498713 -43.93315 -9.386848 1 1085 +ATOM C C . THR A0 1 140 . 140 THR A0 C 80.86 16.761818 -43.56962 -8.614317 1 1086 +ATOM O O . THR A0 1 140 . 140 THR A0 O 77.34 17.822098 -43.390602 -9.204597 1 1087 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 76.56 15.529835 -45.418983 -9.760561 1 1088 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 71.88 14.346092 -45.75329 -10.479373 1 1089 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 69.92 15.635477 -46.291203 -8.519918 1 1090 +ATOM N N . SER A0 1 141 . 141 SER A0 N 78.52 16.618704 -43.44615 -7.310002 1 1091 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 78.12 17.747103 -43.157936 -6.423914 1 1092 +ATOM C C . SER A0 1 141 . 141 SER A0 C 78.91 17.62333 -44.05278 -5.2017746 1 1093 +ATOM O O . SER A0 1 141 . 141 SER A0 O 75.78 16.690887 -43.91133 -4.4125466 1 1094 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 75.0 17.76011 -41.697136 -6.0181694 1 1095 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 70.7 18.827492 -41.430336 -5.113151 1 1096 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 79.3 18.570683 -44.970566 -5.0611553 1 1097 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 78.91 18.48621 -45.926888 -3.9659157 1 1098 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 80.08 17.245619 -46.783752 -4.107174 1 1099 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 76.56 17.018312 -47.39738 -5.1402893 1 1100 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 85.16 16.41767 -46.806046 -3.0721955 1 1101 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 85.94 15.189913 -47.58869 -3.1181524 1 1102 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 87.89 13.9606285 -46.7678 -3.4454496 1 1103 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 85.94 12.837326 -47.225174 -3.2376533 1 1104 +ATOM N N . THR A0 1 144 . 144 THR A0 N 89.84 14.1585455 -45.543144 -3.9893277 1 1105 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 90.23 13.050474 -44.64924 -4.30844 1 1106 +ATOM C C . THR A0 1 144 . 144 THR A0 C 91.02 13.01841 -44.35723 -5.801879 1 1107 +ATOM O O . THR A0 1 144 . 144 THR A0 O 89.45 14.05121 -44.095436 -6.4168034 1 1108 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 88.28 13.167951 -43.334724 -3.521549 1 1109 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 83.98 13.109901 -43.60838 -2.1243677 1 1110 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 82.42 12.035333 -42.376003 -3.8870277 1 1111 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 93.36 11.825802 -44.38649 -6.369886 1 1112 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 93.36 11.630686 -44.04863 -7.7748146 1 1113 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 94.14 10.6837845 -42.859245 -7.874777 1 1114 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 94.14 9.76313 -42.717915 -7.070494 1 1115 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 92.19 11.0587 -45.23822 -8.547337 1 1116 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 95.31 10.923958 -41.99267 -8.861986 1 1117 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 95.7 10.038599 -40.870934 -9.125834 1 1118 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 95.7 9.269591 -41.124424 -10.41757 1 1119 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 94.92 9.816031 -41.642387 -11.385706 1 1120 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 95.31 10.827686 -39.5711 -9.221346 1 1121 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 96.48 8.008792 -40.760017 -10.424949 1 1122 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 96.48 7.1767125 -40.85502 -11.608433 1 1123 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 96.88 6.1660247 -39.710632 -11.570753 1 1124 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 96.48 6.003605 -39.046165 -10.544289 1 1125 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 96.09 6.449832 -42.211403 -11.678121 1 1126 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 94.53 5.5401735 -42.58741 -10.50798 1 1127 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 92.58 4.089708 -42.256927 -10.823858 1 1128 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 92.19 5.69029 -44.055626 -10.145969 1 1129 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 97.66 5.487976 -39.47307 -12.685221 1 1130 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 97.27 4.532763 -38.381683 -12.685234 1 1131 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 97.27 3.6988597 -38.309433 -13.945983 1 1132 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 96.88 3.6736588 -39.23802 -14.761848 1 1133 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 98.05 2.9897954 -37.20221 -14.061022 1 1134 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 97.66 2.1648839 -36.913956 -15.224216 1 1135 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 98.05 2.4224584 -35.485817 -15.68108 1 1136 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 97.27 2.505273 -34.57017 -14.852435 1 1137 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 96.88 0.6741899 -37.088898 -14.902201 1 1138 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 91.02 0.13721219 -38.7798 -14.793826 1 1139 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 98.05 2.554765 -35.304058 -16.99083 1 1140 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 98.05 2.6934738 -33.98922 -17.60067 1 1141 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 97.66 1.3252159 -33.577606 -18.134596 1 1142 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 98.05 0.76796806 -34.257637 -19.003002 1 1143 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 97.66 3.7272897 -34.02901 -18.729553 1 1144 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 96.88 3.9003663 -32.756096 -19.557976 1 1145 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 94.14 4.8644896 -33.024994 -20.717552 1 1146 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 94.14 4.398224 -31.606037 -18.694729 1 1147 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 97.66 0.78063667 -32.49279 -17.592861 1 1148 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 98.05 -0.5404172 -31.99928 -17.960447 1 1149 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 98.05 -0.32585526 -30.76798 -18.834259 1 1150 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 97.66 -0.036814563 -29.672527 -18.334352 1 1151 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 98.05 -1.3716276 -31.665722 -16.70631 1 1152 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 95.7 -2.787674 -31.265892 -17.095661 1 1153 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 94.92 -1.396941 -32.865223 -15.752344 1 1154 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 98.05 -0.42527604 -30.955412 -20.150496 1 1155 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 97.66 0.0628959 -29.961815 -21.090061 1 1156 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 97.66 -1.0314369 -29.3469 -21.964378 1 1157 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 97.27 -2.0019372 -30.016975 -22.332733 1 1158 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 97.27 1.1415567 -30.580254 -21.983738 1 1159 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 96.09 1.979287 -29.55922 -22.736322 1 1160 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 94.53 3.1302989 -30.229908 -23.464504 1 1161 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 93.36 4.080843 -29.213766 -24.088333 1 1162 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 89.84 3.4306228 -28.326143 -25.05469 1 1163 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 97.27 -0.8459492 -28.081646 -22.264374 1 1164 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 96.88 -1.605125 -27.333225 -23.265287 1 1165 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 97.27 -3.0890708 -27.217087 -22.919926 1 1166 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 96.88 -3.9617114 -27.686293 -23.652073 1 1167 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 96.48 -1.4223535 -27.950403 -24.654278 1 1168 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 96.48 -0.0023432814 -27.840197 -25.158504 1 1169 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 94.92 0.7389052 -26.947575 -24.693123 1 1170 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 94.14 0.37969807 -28.63116 -26.041567 1 1171 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 96.48 -3.3770208 -26.543495 -21.806456 1 1172 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 96.48 -4.760031 -26.285671 -21.425499 1 1173 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 96.48 -4.974614 -24.80297 -21.160532 1 1174 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 96.09 -4.019515 -24.03503 -20.975313 1 1175 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 96.88 -5.1637716 -27.117188 -20.198418 1 1176 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 96.88 -4.418056 -26.755594 -18.929646 1 1177 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 96.09 -3.2278395 -27.39553 -18.591648 1 1178 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 95.7 -4.9166994 -25.800259 -18.056122 1 1179 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 95.31 -2.5534673 -27.083973 -17.421715 1 1180 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 95.31 -4.2512608 -25.48259 -16.888088 1 1181 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 96.48 -3.0709758 -26.132278 -16.573574 1 1182 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 96.48 -2.4096112 -25.819366 -15.422203 1 1183 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 96.09 -6.2363405 -24.411789 -21.177814 1 1184 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 95.7 -6.622142 -23.029636 -20.892986 1 1185 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 95.7 -8.10141 -22.993017 -20.535309 1 1186 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 94.92 -8.8966465 -23.682474 -21.170803 1 1187 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 95.31 -6.3482666 -22.110756 -22.088024 1 1188 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 94.53 -6.670899 -20.668259 -21.798334 1 1189 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 93.75 -7.9257054 -20.154064 -22.08643 1 1190 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 92.97 -5.7198753 -19.842693 -21.216324 1 1191 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 91.8 -8.2310295 -18.83643 -21.797747 1 1192 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 91.8 -6.023176 -18.527645 -20.928709 1 1193 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 92.19 -7.27535 -18.018646 -21.219765 1 1194 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 94.14 -8.482399 -22.17898 -19.550398 1 1195 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 94.14 -7.6311226 -21.424978 -18.614729 1 1196 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 94.14 -7.2972093 -22.25752 -17.384283 1 1197 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 93.75 -7.6086392 -23.462597 -17.340351 1 1198 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 93.36 -8.554437 -20.257889 -18.231808 1 1199 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 91.8 -9.907105 -20.893166 -18.190256 1 1200 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 91.8 -9.917437 -21.924305 -19.290855 1 1201 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 92.58 -6.647869 -21.646961 -16.431358 1 1202 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 92.19 -6.4922814 -22.266739 -15.114397 1 1203 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 91.8 -7.862256 -22.408173 -14.478544 1 1204 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 90.23 -8.787631 -21.6583 -14.799315 1 1205 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 90.62 -5.5852547 -21.388744 -14.23976 1 1206 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 88.67 -4.1130657 -21.436659 -14.6086 1 1207 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 88.28 -3.377496 -22.502287 -13.821313 1 1208 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 85.94 -3.6924925 -23.700638 -13.984936 1 1209 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 85.55 -2.4858167 -22.134327 -13.026934 1 1210 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 92.19 -8.049419 -23.348799 -13.565035 1 1211 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 92.19 -7.0647154 -24.292692 -13.020206 1 1212 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 92.97 -7.299105 -25.721003 -13.482893 1 1213 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 92.19 -8.311471 -26.022526 -14.114476 1 1214 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 90.23 -7.336993 -24.216148 -11.50583 1 1215 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 87.89 -8.835819 -24.096912 -11.444033 1 1216 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 87.5 -9.251503 -23.296593 -12.668938 1 1217 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 96.09 -6.3265586 -26.577616 -13.191007 1 1218 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 96.09 -6.513726 -28.02017 -13.24441 1 1219 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 95.7 -6.245224 -28.571758 -11.857236 1 1220 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 94.92 -5.501592 -27.977108 -11.068878 1 1221 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 95.7 -5.5807505 -28.71907 -14.257971 1 1222 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 93.36 -5.8913984 -28.291378 -15.677249 1 1223 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 92.58 -4.127292 -28.483929 -13.905529 1 1224 +ATOM N N . THR A0 1 160 . 160 THR A0 N 96.88 -6.867471 -29.700583 -11.550472 1 1225 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 96.48 -6.5782943 -30.402884 -10.311849 1 1226 +ATOM C C . THR A0 1 160 . 160 THR A0 C 96.88 -6.026247 -31.780214 -10.655116 1 1227 +ATOM O O . THR A0 1 160 . 160 THR A0 O 96.09 -6.439207 -32.39414 -11.646944 1 1228 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 95.7 -7.8257093 -30.557472 -9.425339 1 1229 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 91.41 -8.83349 -31.28472 -10.12863 1 1230 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 89.45 -8.3717785 -29.192707 -9.029978 1 1231 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 97.66 -5.0666084 -32.242786 -9.859468 1 1232 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 97.66 -4.4578686 -33.549683 -10.066437 1 1233 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 97.66 -4.4604874 -34.31064 -8.75107 1 1234 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 97.27 -4.0499635 -33.775864 -7.717037 1 1235 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 97.66 -3.008832 -33.441177 -10.591504 1 1236 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 94.53 -2.4371843 -34.828995 -10.85972 1 1237 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 93.36 -2.9506955 -32.58918 -11.859983 1 1238 +ATOM N N . SER A0 1 162 . 162 SER A0 N 97.27 -4.9243345 -35.54148 -8.793216 1 1239 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 97.27 -4.8112993 -36.451576 -7.66351 1 1240 +ATOM C C . SER A0 1 162 . 162 SER A0 C 97.27 -4.151818 -37.73051 -8.145475 1 1241 +ATOM O O . SER A0 1 162 . 162 SER A0 O 97.27 -4.017544 -37.955406 -9.352886 1 1242 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 96.88 -6.1832094 -36.74669 -7.0416527 1 1243 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 95.31 -7.0192614 -37.42695 -7.957769 1 1244 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 97.66 -3.7509804 -38.564888 -7.2007117 1 1245 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 97.66 -3.1311157 -39.836834 -7.5301027 1 1246 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 97.66 -3.9146514 -40.977386 -6.890665 1 1247 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 96.88 -4.2503147 -40.924614 -5.704438 1 1248 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 97.66 -1.6574457 -39.85627 -7.0907946 1 1249 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 97.66 -0.7799963 -39.05285 -7.995588 1 1250 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 96.88 -0.49859816 -37.72826 -7.8911295 1 1251 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 97.27 -0.10432291 -39.512707 -9.157595 1 1252 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 96.48 0.32131118 -37.33149 -8.923849 1 1253 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 97.27 0.5736946 -38.410652 -9.7104435 1 1254 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 97.27 -0.007228722 -40.760605 -9.80058 1 1255 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 97.27 1.3463022 -38.51896 -10.866219 1 1256 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 97.27 0.76209784 -40.867226 -10.942314 1 1257 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 97.27 1.4264464 -39.759262 -11.473925 1 1258 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 97.27 -4.181696 -41.987694 -7.699958 1 1259 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 97.27 -4.9558287 -43.146435 -7.2543573 1 1260 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 96.88 -6.24116 -42.71528 -6.546803 1 1261 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 96.09 -6.5701103 -43.19751 -5.4646473 1 1262 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 96.88 -4.108289 -44.052544 -6.3569465 1 1263 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 96.48 -2.9783096 -44.719612 -7.1302214 1 1264 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 93.75 -2.8965235 -44.598927 -8.354583 1 1265 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 93.36 -2.0883136 -45.40722 -6.430244 1 1266 +ATOM N N . SER A0 1 165 . 165 SER A0 N 96.88 -6.944518 -41.757996 -7.1994953 1 1267 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 96.48 -8.225525 -41.24557 -6.7121205 1 1268 +ATOM C C . SER A0 1 165 . 165 SER A0 C 96.88 -8.128735 -40.70079 -5.295215 1 1269 +ATOM O O . SER A0 1 165 . 165 SER A0 O 96.09 -9.084558 -40.788895 -4.519561 1 1270 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 96.48 -9.308245 -42.31637 -6.807353 1 1271 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 92.97 -9.462732 -42.769196 -8.14747 1 1272 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 96.88 -6.9721823 -40.124004 -4.961952 1 1273 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 96.48 -6.7794166 -39.51078 -3.6643176 1 1274 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 96.48 -6.16395 -40.41297 -2.6217556 1 1275 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 96.09 -5.8426504 -39.948586 -1.5299311 1 1276 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 96.88 -5.9811215 -41.66834 -2.9385767 1 1277 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 96.48 -5.411314 -42.61063 -1.9723917 1 1278 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 96.88 -3.9140096 -42.39675 -1.7785511 1 1279 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 96.09 -3.3641515 -42.788815 -0.74850833 1 1280 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 96.48 -5.6813498 -44.045723 -2.4154315 1 1281 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 96.88 -3.2586088 -41.796364 -2.7810843 1 1282 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 96.88 -1.8259711 -41.54704 -2.7049778 1 1283 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 96.88 -1.5806136 -40.047813 -2.5797963 1 1284 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 96.48 -1.8712473 -39.289825 -3.5109444 1 1285 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 96.48 -1.1199604 -42.094833 -3.9545922 1 1286 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 95.7 0.3853687 -41.86422 -4.0617113 1 1287 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 92.97 0.918527 -42.47944 -5.352508 1 1288 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 92.97 1.123562 -42.39624 -2.8499308 1 1289 +ATOM N N . THR A0 1 169 . 169 THR A0 N 96.48 -1.090038 -39.614147 -1.4327747 1 1290 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 95.7 -0.8115521 -38.21077 -1.1883864 1 1291 +ATOM C C . THR A0 1 169 . 169 THR A0 C 95.7 0.6177556 -37.977345 -0.71947145 1 1292 +ATOM O O . THR A0 1 169 . 169 THR A0 O 94.92 1.1774497 -36.913406 -0.9942907 1 1293 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 95.31 -1.7867364 -37.62168 -0.1542511 1 1294 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 92.19 -1.6976022 -38.359398 1.0660625 1 1295 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 90.62 -3.2230198 -37.672745 -0.670673 1 1296 +ATOM N N . SER A0 1 170 . 170 SER A0 N 95.31 1.1978161 -38.925327 -0.021811448 1 1297 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 94.92 2.5525894 -38.76995 0.48916227 1 1298 +ATOM C C . SER A0 1 170 . 170 SER A0 C 95.7 3.5535986 -38.754017 -0.66133165 1 1299 +ATOM O O . SER A0 1 170 . 170 SER A0 O 95.31 3.492055 -39.592537 -1.5628808 1 1300 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 93.36 2.895207 -39.895805 1.4541959 1 1301 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 86.72 2.0878446 -39.84336 2.6081834 1 1302 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 95.7 4.455224 -37.775375 -0.63632864 1 1303 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 95.7 5.480724 -37.670082 -1.652077 1 1304 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 96.09 5.030949 -37.025642 -2.942668 1 1305 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 95.7 5.808096 -36.97107 -3.8964882 1 1306 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 96.88 3.7900681 -36.531235 -2.9907928 1 1307 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 96.88 3.265518 -35.90905 -4.1985373 1 1308 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 96.88 3.6534905 -34.433243 -4.252837 1 1309 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 96.09 3.5480077 -33.71531 -3.2490587 1 1310 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 97.27 1.7306027 -36.045208 -4.2720194 1 1311 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 95.31 1.1695707 -35.23255 -5.436821 1 1312 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 94.53 1.3359743 -37.50907 -4.4038773 1 1313 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 97.66 4.095004 -33.978424 -5.414358 1 1314 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 97.66 4.3151493 -32.564445 -5.6846266 1 1315 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 98.05 3.6206484 -32.201977 -6.987517 1 1316 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 97.66 4.016912 -32.69193 -8.054692 1 1317 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 97.27 5.811678 -32.23114 -5.7946234 1 1318 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 96.09 6.5722055 -32.402485 -4.5209227 1 1319 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 90.23 6.2631264 -31.700294 -3.3732557 1 1320 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 89.06 7.634735 -33.173702 -4.222584 1 1321 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 90.23 7.1007004 -32.049656 -2.420263 1 1322 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 91.41 7.9466043 -32.94353 -2.901998 1 1323 +ATOM N N . THR A0 1 174 . 174 THR A0 N 96.88 2.5966828 -31.374004 -6.896922 1 1324 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 97.27 1.948549 -30.845936 -8.090147 1 1325 +ATOM C C . THR A0 1 174 . 174 THR A0 C 96.88 2.4020486 -29.39656 -8.252761 1 1326 +ATOM O O . THR A0 1 174 . 174 THR A0 O 96.88 2.1158676 -28.549223 -7.4098554 1 1327 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 97.27 0.416931 -30.946644 -7.9849024 1 1328 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 96.09 0.04868388 -32.333298 -7.8899755 1 1329 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 95.7 -0.25031388 -30.341724 -9.214439 1 1330 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 97.27 3.1259754 -29.135836 -9.322037 1 1331 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 97.27 3.7698822 -27.841793 -9.508644 1 1332 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 96.88 2.792367 -26.775597 -9.999247 1 1333 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 96.88 1.8076094 -27.08905 -10.671282 1 1334 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 97.66 4.925748 -27.961792 -10.499113 1 1335 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 97.66 6.079458 -28.750362 -9.963706 1 1336 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 96.48 6.164836 -30.12023 -10.173609 1 1337 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 96.09 7.0756483 -28.115908 -9.241469 1 1338 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 96.48 7.2219996 -30.847012 -9.657682 1 1339 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 96.48 8.137045 -28.83667 -8.723697 1 1340 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 97.66 8.208181 -30.21052 -8.932792 1 1341 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 95.31 3.0692058 -25.506044 -9.642908 1 1342 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 94.92 2.2756853 -24.419415 -10.221323 1 1343 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 95.7 2.3839412 -24.441647 -11.744806 1 1344 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 95.7 3.4427292 -24.760426 -12.301405 1 1345 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 94.14 2.9180486 -23.156666 -9.634766 1 1346 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 92.19 3.5950394 -23.624302 -8.377085 1 1347 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 93.75 4.0672717 -25.011452 -8.690315 1 1348 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 94.92 1.2867624 -24.119179 -12.403297 1 1349 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 94.53 1.2837058 -24.10883 -13.85906 1 1350 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 94.53 2.1763473 -22.990637 -14.390575 1 1351 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 93.75 2.364025 -21.9622 -13.739298 1 1352 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 94.92 -0.14062874 -23.931032 -14.383169 1 1353 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 96.09 2.7351832 -23.201162 -15.564913 1 1354 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 95.7 3.48878 -22.171652 -16.266262 1 1355 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 95.7 2.7380571 -21.805729 -17.542091 1 1356 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 95.31 2.099906 -22.658094 -18.169493 1 1357 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 94.92 4.9305406 -22.61649 -16.604715 1 1358 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 92.97 5.704485 -22.91124 -15.320322 1 1359 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 92.19 4.9317684 -23.81443 -17.535557 1 1360 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 94.14 2.7938716 -20.522377 -17.899004 1 1361 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 93.36 2.1621256 -20.056267 -19.124348 1 1362 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 93.75 3.1760235 -20.142666 -20.262772 1 1363 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 93.36 4.2123833 -19.469757 -20.232746 1 1364 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 92.58 1.6638459 -18.616991 -18.966091 1 1365 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 90.62 0.9298905 -18.025606 -20.171574 1 1366 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 88.67 0.5971397 -16.562439 -19.913452 1 1367 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 88.28 -0.33515143 -18.823202 -20.473148 1 1368 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 95.31 2.8847637 -20.959597 -21.244774 1 1369 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 94.92 3.7779074 -21.156197 -22.382347 1 1370 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 94.14 3.595109 -20.030685 -23.398813 1 1371 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 92.97 2.607262 -19.287905 -23.370722 1 1372 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 95.31 3.5014844 -22.509579 -23.034634 1 1373 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 94.92 3.6795628 -23.683208 -22.084293 1 1374 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 94.92 3.135286 -24.97671 -22.639849 1 1375 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 91.02 3.8931909 -25.839663 -23.077972 1 1376 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 89.84 1.8117722 -25.103416 -22.653044 1 1377 +ATOM N N . SER A0 1 181 . 181 SER A0 N 93.75 4.5757217 -19.894962 -24.300877 1 1378 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 92.58 4.5158815 -18.845322 -25.314987 1 1379 +ATOM C C . SER A0 1 181 . 181 SER A0 C 93.36 3.2929091 -18.99197 -26.216064 1 1380 +ATOM O O . SER A0 1 181 . 181 SER A0 O 91.8 2.8673344 -18.01773 -26.840202 1 1381 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 91.02 5.7967043 -18.852028 -26.15641 1 1382 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 87.5 5.9547296 -20.080051 -26.821857 1 1383 +ATOM N N . SER A0 1 182 . 182 SER A0 N 94.14 2.7331817 -20.187624 -26.275307 1 1384 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 93.36 1.5281619 -20.442007 -27.054632 1 1385 +ATOM C C . SER A0 1 182 . 182 SER A0 C 93.36 0.28318593 -19.826298 -26.42919 1 1386 +ATOM O O . SER A0 1 182 . 182 SER A0 O 92.19 -0.7521017 -19.729954 -27.090528 1 1387 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 93.36 1.3192916 -21.950634 -27.211105 1 1388 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 92.19 1.095551 -22.545952 -25.950516 1 1389 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 93.75 0.3854335 -19.416016 -25.168108 1 1390 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 93.75 -0.7648959 -18.915113 -24.444965 1 1391 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 94.53 -1.510483 -19.988186 -23.679218 1 1392 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 93.75 -2.5167155 -19.694233 -23.031342 1 1393 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 95.7 -1.0117826 -21.223263 -23.760113 1 1394 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 95.7 -1.6044071 -22.338629 -23.039108 1 1395 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 95.7 -0.76286674 -22.678265 -21.816383 1 1396 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 95.31 0.43865585 -22.40527 -21.7873 1 1397 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 95.7 -1.7262698 -23.565643 -23.947285 1 1398 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 95.31 -2.5156436 -23.37307 -25.245651 1 1399 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 94.14 -2.4012446 -24.611393 -26.12654 1 1400 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 93.75 -3.9670267 -23.047722 -24.943811 1 1401 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 96.48 -1.387049 -23.267258 -20.810266 1 1402 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 96.09 -0.7026028 -23.622639 -19.578238 1 1403 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 96.88 -0.19792603 -25.056938 -19.61475 1 1404 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 96.48 -0.688831 -25.887306 -20.377872 1 1405 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 95.7 -1.6314747 -23.452477 -18.371868 1 1406 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 94.92 -2.0038233 -22.01854 -18.08094 1 1407 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 93.36 -3.1906905 -21.477512 -18.54988 1 1408 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 93.36 -1.1736628 -21.211777 -17.3208 1 1409 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 92.19 -3.5395005 -20.167189 -18.278273 1 1410 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 91.8 -1.514486 -19.897984 -17.041416 1 1411 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 91.8 -2.7017183 -19.38565 -17.525743 1 1412 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 90.62 -3.0408752 -18.089893 -17.246723 1 1413 +ATOM N N . SER A0 1 186 . 186 SER A0 N 97.27 0.7716291 -25.333115 -18.769957 1 1414 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 97.66 1.3179338 -26.676466 -18.612436 1 1415 +ATOM C C . SER A0 1 186 . 186 SER A0 C 97.27 1.7856176 -26.846336 -17.173788 1 1416 +ATOM O O . SER A0 1 186 . 186 SER A0 O 96.88 2.3271637 -25.907303 -16.580002 1 1417 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 96.88 2.4791307 -26.913126 -19.579655 1 1418 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 94.92 3.0352266 -28.215155 -19.428734 1 1419 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 98.05 1.60232 -28.031479 -16.622953 1 1420 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 98.05 2.1565177 -28.348288 -15.317564 1 1421 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 98.05 2.494954 -29.826221 -15.2372875 1 1422 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 97.66 2.0403287 -30.621216 -16.061935 1 1423 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 97.27 1.2176702 -27.950817 -14.178971 1 1424 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 96.48 -0.10451916 -28.673122 -13.929556 1 1425 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 94.92 -0.9667765 -27.8264 -12.986782 1 1426 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 94.53 0.06300227 -30.075562 -13.326666 1 1427 +ATOM N N . SER A0 1 188 . 188 SER A0 N 98.44 3.302031 -30.17451 -14.256161 1 1428 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 98.44 3.6119194 -31.5713 -13.973471 1 1429 +ATOM C C . SER A0 1 188 . 188 SER A0 C 98.44 3.2460675 -31.894228 -12.537173 1 1430 +ATOM O O . SER A0 1 188 . 188 SER A0 O 98.05 3.2952476 -31.03028 -11.657543 1 1431 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 97.27 5.095148 -31.876888 -14.2034025 1 1432 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 89.06 5.396758 -31.9697 -15.575531 1 1433 +ATOM N N . SER A0 1 189 . 189 SER A0 N 98.05 2.8475642 -33.12796 -12.325025 1 1434 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 98.05 2.6199918 -33.65255 -10.982447 1 1435 +ATOM C C . SER A0 1 189 . 189 SER A0 C 98.05 3.4978108 -34.88516 -10.838542 1 1436 +ATOM O O . SER A0 1 189 . 189 SER A0 O 97.66 3.4593189 -35.776608 -11.694814 1 1437 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 98.05 1.1474177 -34.003365 -10.767906 1 1438 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 96.09 0.9173403 -34.512283 -9.455585 1 1439 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 97.66 4.290685 -34.9093 -9.771384 1 1440 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 97.66 5.202486 -36.03303 -9.567469 1 1441 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 97.66 4.9672103 -36.6499 -8.195346 1 1442 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 97.27 4.3729916 -36.03494 -7.307158 1 1443 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 97.27 6.6849456 -35.612534 -9.700304 1 1444 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 93.75 6.9597106 -35.05076 -11.087743 1 1445 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 92.58 7.0552816 -34.61021 -8.616964 1 1446 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 96.88 5.4344873 -37.89393 -8.05899 1 1447 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 96.88 5.347923 -38.58249 -6.775612 1 1448 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 96.48 6.5367026 -39.530647 -6.669696 1 1449 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 96.09 6.964764 -40.113014 -7.671957 1 1450 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 96.88 4.0034027 -39.34513 -6.6226053 1 1451 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 93.75 3.8907726 -39.974922 -5.2362957 1 1452 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 92.58 3.8285062 -40.388588 -7.7154074 1 1453 +ATOM N N . THR A0 1 192 . 192 THR A0 N 95.7 7.0828238 -39.645798 -5.4590592 1 1454 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 95.31 8.139581 -40.61582 -5.2101183 1 1455 +ATOM C C . THR A0 1 192 . 192 THR A0 C 95.7 7.543066 -41.824837 -4.4995003 1 1456 +ATOM O O . THR A0 1 192 . 192 THR A0 O 94.92 6.728236 -41.682137 -3.5751204 1 1457 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 94.92 9.288637 -40.01565 -4.3713303 1 1458 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 91.02 8.752089 -39.39508 -3.209395 1 1459 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 89.84 10.075222 -39.002117 -5.187011 1 1460 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 94.92 7.935817 -43.020782 -4.951562 1 1461 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 94.53 7.39329 -44.28105 -4.440292 1 1462 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 93.75 8.537788 -45.278244 -4.2574024 1 1463 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 93.36 9.629837 -45.08649 -4.792656 1 1464 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 94.53 6.328137 -44.874615 -5.395721 1 1465 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 92.97 5.1646204 -43.895203 -5.587628 1 1466 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 92.58 6.9634705 -45.219986 -6.7363176 1 1467 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 93.75 8.294813 -46.35365 -3.4930892 1 1468 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 93.36 9.337724 -47.37947 -3.3799534 1 1469 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 93.36 9.617117 -48.02632 -4.7393737 1 1470 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 92.58 8.68429 -48.365887 -5.4702435 1 1471 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 92.58 8.741247 -48.387413 -2.3866384 1 1472 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 91.41 7.7061768 -47.619064 -1.6223242 1 1473 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 92.19 7.1488714 -46.6426 -2.6113653 1 1474 +ATOM N N . SER A0 1 195 . 195 SER A0 N 91.41 10.901899 -48.181805 -5.0542707 1 1475 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 91.02 11.2612 -48.829994 -6.3212957 1 1476 +ATOM C C . SER A0 1 195 . 195 SER A0 C 91.02 10.699862 -50.242355 -6.3994446 1 1477 +ATOM O O . SER A0 1 195 . 195 SER A0 O 89.84 10.356809 -50.71946 -7.4826765 1 1478 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 89.84 12.782024 -48.86937 -6.4816265 1 1479 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 85.16 13.329571 -47.569687 -6.5296364 1 1480 +ATOM N N . SER A0 1 196 . 196 SER A0 N 91.41 10.586388 -50.904633 -5.2619476 1 1481 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 90.62 10.083683 -52.27719 -5.2252774 1 1482 +ATOM C C . SER A0 1 196 . 196 SER A0 C 90.23 8.614127 -52.370163 -5.6075068 1 1483 +ATOM O O . SER A0 1 196 . 196 SER A0 O 89.06 8.139134 -53.466454 -5.9287925 1 1484 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 90.23 10.297743 -52.874924 -3.8322155 1 1485 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 87.11 9.606542 -52.12276 -2.8494482 1 1486 +ATOM N N . SER A0 1 197 . 197 SER A0 N 92.58 7.892062 -51.24016 -5.5747976 1 1487 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 92.19 6.4733086 -51.25899 -5.917329 1 1488 +ATOM C C . SER A0 1 197 . 197 SER A0 C 92.58 6.240402 -51.189556 -7.417611 1 1489 +ATOM O O . SER A0 1 197 . 197 SER A0 O 91.41 5.125614 -51.468155 -7.8662205 1 1490 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 91.8 5.7494917 -50.110077 -5.223557 1 1491 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 89.84 6.1005225 -48.862175 -5.804928 1 1492 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 91.02 7.2664695 -50.81705 -8.182569 1 1493 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 90.62 7.11224 -50.723564 -9.626584 1 1494 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 90.23 6.8474855 -52.117203 -10.210619 1 1495 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 88.67 7.5885115 -53.064636 -9.950075 1 1496 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 90.23 8.365601 -50.11821 -10.267692 1 1497 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 89.45 8.713714 -48.687885 -9.835717 1 1498 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 87.5 9.998158 -48.245487 -10.512218 1 1499 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 86.72 7.58707 -47.729412 -10.111521 1 1500 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 90.62 5.811159 -52.25322 -10.974142 1 1501 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 89.45 5.4267197 -53.525803 -11.556931 1 1502 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 89.84 4.4093933 -54.28677 -10.74333 1 1503 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 87.5 3.7668629 -55.20423 -11.273752 1 1504 +ATOM N N . THR A0 1 200 . 200 THR A0 N 91.8 4.233636 -53.907097 -9.474163 1 1505 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 91.8 3.245215 -54.56746 -8.630209 1 1506 +ATOM C C . THR A0 1 200 . 200 THR A0 C 92.58 2.1170812 -53.627087 -8.214405 1 1507 +ATOM O O . THR A0 1 200 . 200 THR A0 O 91.41 0.9955311 -54.07847 -7.992128 1 1508 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 90.23 3.8974707 -55.165237 -7.3691854 1 1509 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 86.72 4.5475187 -54.1292 -6.641823 1 1510 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 84.38 4.9250298 -56.223717 -7.749235 1 1511 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 93.75 2.412432 -52.347187 -8.100886 1 1512 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 94.14 1.4194589 -51.344536 -7.725493 1 1513 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 94.53 1.0656004 -50.497734 -8.939672 1 1514 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 93.36 1.9547092 -50.06391 -9.680217 1 1515 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 93.36 1.9543555 -50.459385 -6.593011 1 1516 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 90.23 1.0263675 -49.313766 -6.2072396 1 1517 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 89.06 -0.27297634 -49.78959 -5.590928 1 1518 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 84.77 -0.25932458 -50.609 -4.6825867 1 1519 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 83.59 -1.4001223 -49.305412 -6.1009765 1 1520 +ATOM N N . THR A0 1 202 . 202 THR A0 N 95.31 -0.21764536 -50.23932 -9.124153 1 1521 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 95.7 -0.67319024 -49.398167 -10.221374 1 1522 +ATOM C C . THR A0 1 202 . 202 THR A0 C 96.09 -0.71246666 -47.9438 -9.776305 1 1523 +ATOM O O . THR A0 1 202 . 202 THR A0 O 95.7 -1.2362134 -47.62527 -8.704058 1 1524 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 94.14 -2.0662334 -49.8305 -10.701254 1 1525 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 89.84 -1.9923377 -51.16947 -11.202175 1 1526 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 87.5 -2.5871563 -48.905624 -11.793892 1 1527 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 96.88 -0.15328611 -47.040134 -10.598648 1 1528 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 96.88 -0.1596853 -45.61431 -10.322424 1 1529 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 96.88 -0.92462254 -44.88778 -11.417985 1 1530 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 96.48 -0.56419635 -44.98154 -12.595078 1 1531 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 96.48 1.2690308 -45.072273 -10.196821 1 1532 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 96.09 2.0018492 -45.66378 -9.010963 1 1533 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 93.75 2.9886785 -46.625175 -9.177208 1 1534 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 93.36 1.6951904 -45.245792 -7.7244396 1 1535 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 92.97 3.645371 -47.166824 -8.088295 1 1536 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 93.36 2.3490462 -45.784042 -6.6295967 1 1537 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 94.92 3.3251934 -46.747204 -6.815936 1 1538 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 94.14 3.9703293 -47.27986 -5.742845 1 1539 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 97.66 -1.9832423 -44.172028 -11.024969 1 1540 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 97.66 -2.8421125 -43.457783 -11.95829 1 1541 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 97.66 -2.9839547 -42.00879 -11.50036 1 1542 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 97.66 -3.3300169 -41.753815 -10.342089 1 1543 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 97.27 -4.2366695 -44.107773 -12.049281 1 1544 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 92.97 -4.126813 -45.546204 -12.577235 1 1545 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 92.58 -5.1621256 -43.278862 -12.947344 1 1546 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 89.84 -5.4306297 -46.32888 -12.531968 1 1547 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 97.66 -2.6845975 -41.04106 -12.415937 1 1548 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 97.66 -2.9532223 -39.64482 -12.103053 1 1549 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 97.66 -4.3349867 -39.289635 -12.627832 1 1550 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 97.27 -4.698889 -39.649567 -13.749326 1 1551 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 96.88 -1.8830385 -38.711052 -12.668919 1 1552 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 95.31 -1.8353815 -38.57573 -14.447804 1 1553 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 97.66 -5.1212826 -38.60573 -11.7738285 1 1554 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 97.66 -6.4808817 -38.206997 -12.112644 1 1555 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 97.27 -6.490965 -36.700882 -12.335119 1 1556 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 97.27 -6.274749 -35.92958 -11.390795 1 1557 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 97.27 -7.459823 -38.584007 -10.986479 1 1558 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 96.88 -7.134588 -39.91716 -10.364271 1 1559 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 92.97 -6.610468 -39.97151 -9.232942 1 1560 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 92.97 -7.415988 -40.99934 -11.061113 1 1561 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 97.66 -6.722366 -36.298378 -13.581646 1 1562 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 97.66 -6.6553783 -34.893303 -13.962648 1 1563 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 97.27 -8.059352 -34.375107 -14.259583 1 1564 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 96.88 -8.8102665 -35.002792 -15.014673 1 1565 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 97.27 -5.744505 -34.68898 -15.190904 1 1566 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 94.53 -5.709858 -33.229004 -15.602201 1 1567 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 94.53 -4.337226 -35.203735 -14.898045 1 1568 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 96.88 -8.399013 -33.218693 -13.667902 1 1569 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 96.88 -9.702446 -32.604317 -13.883029 1 1570 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 97.27 -9.515072 -31.152706 -14.307409 1 1571 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 96.48 -8.875928 -30.370094 -13.592424 1 1572 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 96.09 -10.54938 -32.683243 -12.609047 1 1573 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 92.58 -11.977635 -32.227608 -12.82759 1 1574 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 88.67 -12.427398 -32.08264 -13.964042 1 1575 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 87.11 -12.711519 -32.025143 -11.754576 1 1576 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 96.09 -10.054529 -30.806164 -15.465862 1 1577 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 96.09 -10.047459 -29.434391 -15.972802 1 1578 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 95.7 -11.496539 -29.002472 -16.166286 1 1579 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 95.31 -12.10221 -29.265442 -17.215889 1 1580 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 96.09 -9.261272 -29.324795 -17.280476 1 1581 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 96.09 -9.149277 -27.924084 -17.795822 1 1582 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 93.36 -9.593519 -27.554646 -19.05194 1 1583 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 92.97 -8.621462 -26.814255 -17.24074 1 1584 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 93.36 -9.351825 -26.269562 -19.22931 1 1585 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 93.75 -8.758564 -25.791445 -18.148264 1 1586 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 93.75 -12.038172 -28.38132 -15.147022 1 1587 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 92.58 -13.45877 -28.038853 -15.135435 1 1588 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 92.97 -13.8597355 -27.074846 -16.246304 1 1589 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 92.19 -14.949956 -27.228102 -16.809492 1 1590 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 91.41 -13.852787 -27.473572 -13.763283 1 1591 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 87.11 -13.819763 -28.506577 -12.653845 1 1592 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 83.2 -14.279417 -27.908987 -11.327444 1 1593 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 78.52 -14.239567 -28.960443 -10.22312 1 1594 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 73.44 -14.671921 -28.397278 -8.921131 1 1595 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 92.97 -13.029134 -26.047596 -16.598032 1 1596 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 92.19 -13.45683 -25.121479 -17.659588 1 1597 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 92.58 -13.773521 -25.801146 -18.989994 1 1598 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 91.8 -14.6068735 -25.297377 -19.745714 1 1599 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 91.41 -12.267574 -24.163061 -17.792007 1 1600 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 90.23 -11.650275 -24.15868 -16.424706 1 1601 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 91.02 -11.778217 -25.586004 -15.953728 1 1602 +ATOM N N . SER A0 1 212 . 212 SER A0 N 94.92 -13.119379 -26.932726 -19.29596 1 1603 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 94.92 -13.388416 -27.660658 -20.530668 1 1604 +ATOM C C . SER A0 1 212 . 212 SER A0 C 94.14 -14.172468 -28.939621 -20.286911 1 1605 +ATOM O O . SER A0 1 212 . 212 SER A0 O 93.75 -14.397881 -29.706709 -21.22257 1 1606 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 94.53 -12.074808 -27.999506 -21.249779 1 1607 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 93.75 -11.310598 -28.939098 -20.510086 1 1608 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 95.7 -14.571511 -29.156586 -19.049652 1 1609 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 95.31 -15.28489 -30.378777 -18.667263 1 1610 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 95.7 -14.499753 -31.61632 -19.083963 1 1611 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 94.92 -15.054561 -32.56448 -19.65534 1 1612 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 94.53 -16.692003 -30.393055 -19.271793 1 1613 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 91.02 -17.580061 -31.44734 -18.645714 1 1614 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 86.72 -17.403774 -31.79815 -17.481972 1 1615 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 85.55 -18.54914 -31.942245 -19.410328 1 1616 +ATOM N N . THR A0 1 214 . 214 THR A0 N 96.09 -13.193494 -31.608976 -18.826763 1 1617 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 96.09 -12.300946 -32.70347 -19.200012 1 1618 +ATOM C C . THR A0 1 214 . 214 THR A0 C 96.88 -11.798611 -33.427807 -17.958275 1 1619 +ATOM O O . THR A0 1 214 . 214 THR A0 O 96.09 -11.273733 -32.799927 -17.03804 1 1620 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 95.31 -11.095104 -32.186714 -20.001348 1 1621 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 93.36 -11.558708 -31.52082 -21.178547 1 1622 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 92.19 -10.171534 -33.328285 -20.398684 1 1623 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 96.88 -11.969059 -34.730537 -17.95589 1 1624 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 96.48 -11.4179535 -35.59491 -16.919434 1 1625 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 96.88 -10.593418 -36.680725 -17.596004 1 1626 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 95.7 -11.071287 -37.332912 -18.530426 1 1627 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 95.7 -12.514927 -36.231544 -16.06439 1 1628 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 89.84 -13.195742 -35.26995 -15.11124 1 1629 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 86.72 -14.135452 -36.02841 -14.177338 1 1630 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 80.47 -14.785554 -35.08921 -13.175091 1 1631 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 75.39 -15.662469 -35.830162 -12.232697 1 1632 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 97.27 -9.361475 -36.86575 -17.125118 1 1633 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 96.88 -8.463914 -37.866158 -17.701698 1 1634 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 97.27 -7.821679 -38.66877 -16.581802 1 1635 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 96.88 -7.3402224 -38.08902 -15.596598 1 1636 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 96.48 -7.3627915 -37.218525 -18.567638 1 1637 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 94.14 -6.393635 -38.285774 -19.096928 1 1638 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 94.14 -7.9728665 -36.430676 -19.717484 1 1639 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 97.27 -7.817252 -39.96689 -16.723204 1 1640 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 97.27 -7.08366 -40.85717 -15.835341 1 1641 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 97.27 -5.951244 -41.479263 -16.638386 1 1642 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 96.48 -6.2078543 -42.162334 -17.638737 1 1643 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 96.88 -7.987212 -41.95957 -15.271955 1 1644 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 95.7 -9.084743 -41.401604 -14.384174 1 1645 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 92.97 -10.211462 -41.930573 -14.434135 1 1646 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 92.97 -8.815424 -40.445152 -13.625225 1 1647 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 97.27 -4.719382 -41.231697 -16.234026 1 1648 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 97.27 -3.5659194 -41.71898 -16.97054 1 1649 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 97.66 -2.764399 -42.685463 -16.123817 1 1650 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 96.88 -2.260407 -42.315434 -15.05322 1 1651 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 96.88 -2.6770718 -40.55701 -17.411545 1 1652 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 94.14 -1.412761 -40.967796 -18.160873 1 1653 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 92.58 -1.7071934 -41.685493 -19.477928 1 1654 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 89.45 -2.4317293 -40.801716 -20.476227 1 1655 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 86.33 -2.5858533 -41.48452 -21.769814 1 1656 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 97.27 -2.631115 -43.906372 -16.610565 1 1657 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 96.88 -1.829119 -44.911903 -15.931925 1 1658 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 96.88 -0.36125344 -44.67832 -16.257385 1 1659 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 96.09 -0.005848012 -44.482384 -17.425774 1 1660 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 96.09 -2.25032 -46.31846 -16.363121 1 1661 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 89.45 -1.5455873 -47.4419 -15.6163435 1 1662 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 85.55 -2.1096501 -48.77849 -16.040462 1 1663 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 80.08 -1.4654405 -49.8955 -15.348728 1 1664 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 75.78 -1.7484608 -51.161446 -15.5521145 1 1665 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 71.88 -2.6641202 -51.50138 -16.445484 1 1666 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 72.27 -1.1163235 -52.111 -14.884679 1 1667 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 96.09 0.48836714 -44.664112 -15.240623 1 1668 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 95.7 1.9141278 -44.4414 -15.428461 1 1669 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 94.92 2.6702952 -45.72536 -15.120811 1 1670 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 93.75 2.6354747 -46.21822 -13.997126 1 1671 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 96.09 2.4176164 -43.284622 -14.534822 1 1672 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 94.92 1.602767 -41.994343 -14.782357 1 1673 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 94.14 3.8705027 -42.949993 -14.866853 1 1674 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 92.58 3.3347027 -46.27646 -16.149353 1 1675 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 92.19 4.0275393 -47.557816 -16.032417 1 1676 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 91.8 5.510581 -47.395237 -16.366146 1 1677 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 89.84 5.887452 -46.495342 -17.120817 1 1678 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 90.23 3.4121542 -48.590504 -16.983318 1 1679 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 84.77 1.9519657 -48.878124 -16.711796 1 1680 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 82.81 1.3814652 -49.881676 -17.678814 1 1681 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 78.52 0.62573946 -50.76619 -17.242786 1 1682 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 78.12 1.6896517 -49.789463 -18.882763 1 1683 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 89.06 6.3581963 -48.280563 -15.809172 1 1684 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 87.89 7.780991 -48.231277 -16.15723 1 1685 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 87.11 7.9996743 -48.475132 -17.646988 1 1686 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 83.59 7.2572713 -49.23443 -18.2756 1 1687 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 85.94 8.394129 -49.361 -15.307867 1 1688 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 83.59 7.417431 -49.55899 -14.18613 1 1689 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 84.77 6.073635 -49.279305 -14.779289 1 1690 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 81.25 9.012379 -47.830666 -18.185219 1 1691 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 79.69 9.329223 -48.002132 -19.604206 1 1692 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 78.52 10.831902 -48.03176 -19.787642 1 1693 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 73.44 11.559631 -47.32065 -19.118448 1 1694 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 75.39 8.724471 -46.859047 -20.438404 1 1695 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 70.31 9.018269 -46.949554 -21.936035 1 1696 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 66.02 8.3444195 -45.821465 -22.68623 1 1697 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 62.89 8.688845 -45.860565 -24.165169 1 1698 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 60.55 8.248507 -47.089493 -24.837341 1 1699 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 61.33 11.34076 -48.749874 -20.654703 1 1700 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 85.55 8.478722 7.563903 -2.9825213 1 1701 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 91.41 8.487913 6.104588 -3.118287 1 1702 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 94.53 9.065465 5.437828 -1.8729433 1 1703 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 93.36 9.681738 6.086543 -1.027746 1 1704 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 85.55 9.286707 5.674951 -4.350684 1 1705 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 78.91 10.731871 6.137255 -4.331248 1 1706 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 75.0 10.986053 7.360779 -5.2020063 1 1707 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 69.14 12.098564 7.557567 -5.680879 1 1708 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 66.8 9.977248 8.198484 -5.4145694 1 1709 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 95.7 8.858091 4.1165657 -1.7374816 1 1710 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 96.09 9.307711 3.359933 -0.58190644 1 1711 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 96.09 10.289276 2.2748876 -1.0054433 1 1712 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 95.31 10.061682 1.5780828 -1.9923265 1 1713 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 95.7 8.123768 2.7128546 0.1333733 1 1714 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 94.92 7.056196 3.6427865 0.7129923 1 1715 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 93.36 5.9048405 2.8217854 1.2745707 1 1716 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 93.36 7.6379566 4.546025 1.778158 1 1717 +ATOM N N . THR B0 2 3 . 3 THR B0 N 96.88 11.365587 2.1252573 -0.2355093 1 1718 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 96.88 12.342175 1.0666828 -0.45195153 1 1719 +ATOM C C . THR B0 2 3 . 3 THR B0 C 97.27 12.2993355 0.13392724 0.7523818 1 1720 +ATOM O O . THR B0 2 3 . 3 THR B0 O 96.88 12.618122 0.5451586 1.8690423 1 1721 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 96.09 13.759262 1.6405964 -0.6295021 1 1722 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 91.8 13.778624 2.5231073 -1.7566448 1 1723 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 91.41 14.773607 0.5225983 -0.8484191 1 1724 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 97.27 11.902237 -1.1108862 0.5160851 1 1725 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 97.27 11.736873 -2.09203 1.5776689 1 1726 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 96.48 12.868368 -3.106556 1.5296286 1 1727 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 95.31 13.263781 -3.5556908 0.44950444 1 1728 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 96.48 10.372814 -2.7760115 1.4285533 1 1729 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 95.7 9.959166 -3.6018598 2.6280913 1 1730 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 96.88 8.511328 -4.040434 2.538911 1 1731 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 93.75 7.700898 -3.4068878 1.8643498 1 1732 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 93.75 8.165128 -5.128127 3.2254703 1 1733 +ATOM N N . SER B0 2 5 . 5 SER B0 N 96.48 13.410167 -3.4573174 2.6946478 1 1734 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 96.09 14.520243 -4.4013634 2.7483897 1 1735 +ATOM C C . SER B0 2 5 . 5 SER B0 C 96.09 14.434584 -5.2646885 3.9971228 1 1736 +ATOM O O . SER B0 2 5 . 5 SER B0 O 95.31 13.926325 -4.810944 5.03109 1 1737 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 94.92 15.865212 -3.6481233 2.7066429 1 1738 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 90.23 16.003956 -2.8180356 3.825916 1 1739 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 94.92 14.9268265 -6.5028524 3.939157 1 1740 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 94.53 15.388111 -7.1622458 2.7057297 1 1741 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 94.92 14.210581 -7.623991 1.8626571 1 1742 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 94.14 13.073967 -7.6023407 2.3234005 1 1743 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 94.14 16.187294 -8.350653 3.2439146 1 1744 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 92.19 15.467612 -8.72646 4.497832 1 1745 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 92.19 15.018322 -7.417207 5.101099 1 1746 +ATOM N N . SER B0 2 7 . 7 SER B0 N 93.75 14.492279 -8.005649 0.62171817 1 1747 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 92.97 13.422947 -8.519581 -0.22658886 1 1748 +ATOM C C . SER B0 2 7 . 7 SER B0 C 93.75 12.939895 -9.881581 0.259692 1 1749 +ATOM O O . SER B0 2 7 . 7 SER B0 O 92.97 11.777043 -10.238937 0.05228702 1 1750 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 92.19 13.880074 -8.600286 -1.6803071 1 1751 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 89.06 14.966879 -9.479067 -1.8293517 1 1752 +ATOM N N . SER B0 2 8 . 8 SER B0 N 92.97 13.818623 -10.632404 0.9025247 1 1753 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 92.19 13.453896 -11.904449 1.5047395 1 1754 +ATOM C C . SER B0 2 8 . 8 SER B0 C 93.36 14.425175 -12.227985 2.6239157 1 1755 +ATOM O O . SER B0 2 8 . 8 SER B0 O 92.19 15.541512 -11.7197075 2.6587055 1 1756 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 90.23 13.441498 -13.0406475 0.47071815 1 1757 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 87.11 14.736444 -13.321541 -0.005237398 1 1758 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 94.53 13.976915 -13.054942 3.552135 1 1759 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 94.14 14.831312 -13.512357 4.6330957 1 1760 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 94.14 14.332631 -14.860313 5.125602 1 1761 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 92.97 13.16852 -15.200498 4.9607205 1 1762 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 92.58 14.868126 -12.49416 5.7819386 1 1763 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 90.23 13.574054 -12.20854 6.5356693 1 1764 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 87.89 13.566461 -10.768221 7.059379 1 1765 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 86.72 13.393925 -13.186877 7.71117 1 1766 +ATOM N N . SER B0 2 10 . 10 SER B0 N 93.75 15.236955 -15.641513 5.7156944 1 1767 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 93.75 14.8952265 -16.920002 6.3281956 1 1768 +ATOM C C . SER B0 2 10 . 10 SER B0 C 94.14 15.074836 -16.811377 7.832548 1 1769 +ATOM O O . SER B0 2 10 . 10 SER B0 O 93.36 16.071133 -16.261822 8.308815 1 1770 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 92.58 15.76808 -18.040165 5.7712493 1 1771 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 89.45 15.553839 -18.228092 4.3891516 1 1772 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 95.31 14.110088 -17.315208 8.566324 1 1773 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 94.53 14.16671 -17.25602 10.021149 1 1774 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 94.53 13.496208 -18.48246 10.608875 1 1775 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 93.36 12.750014 -19.182997 9.930075 1 1776 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 94.14 13.496737 -15.980663 10.534373 1 1777 +ATOM N N . SER B0 2 12 . 12 SER B0 N 93.36 13.76494 -18.727129 11.890262 1 1778 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 93.36 13.194088 -19.866089 12.599215 1 1779 +ATOM C C . SER B0 2 12 . 12 SER B0 C 93.75 12.142036 -19.394833 13.598907 1 1780 +ATOM O O . SER B0 2 12 . 12 SER B0 O 93.36 12.147859 -18.237904 14.028083 1 1781 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 92.19 14.286057 -20.648426 13.3263855 1 1782 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 89.45 15.285698 -21.10738 12.43321 1 1783 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 92.58 11.247983 -20.305794 13.953928 1 1784 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 92.58 10.249937 -20.005032 14.975948 1 1785 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 93.36 10.974348 -19.57913 16.254585 1 1786 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 93.36 11.941055 -20.2077 16.673615 1 1787 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 91.8 9.348087 -21.223522 15.243498 1 1788 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 89.84 8.4616585 -20.989616 16.460758 1 1789 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 89.84 8.518205 -21.54728 14.009909 1 1790 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 94.92 10.513569 -18.476189 16.850805 1 1791 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 94.92 11.131063 -17.926853 18.043339 1 1792 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 95.31 12.123644 -16.81834 17.775623 1 1793 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 94.53 12.506891 -16.098774 18.703873 1 1794 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 95.7 12.557255 -16.645523 16.513172 1 1795 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 96.09 13.516205 -15.60305 16.161087 1 1796 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 96.09 12.874274 -14.222395 16.219244 1 1797 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 96.09 11.653704 -14.072989 16.079544 1 1798 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 95.31 14.071236 -15.828514 14.752013 1 1799 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 94.53 15.101805 -16.93185 14.674538 1 1800 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 92.97 15.453349 -17.499903 15.727203 1 1801 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 91.8 15.555178 -17.225842 13.54844 1 1802 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 97.27 13.709394 -13.213132 16.385118 1 1803 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 96.88 13.302827 -11.817401 16.277046 1 1804 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 97.27 13.581151 -11.374466 14.851033 1 1805 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 96.48 14.709964 -11.5121355 14.362953 1 1806 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 96.48 14.075209 -10.956792 17.273756 1 1807 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 92.58 13.616152 -9.51181 17.337132 1 1808 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 91.02 14.426203 -8.729663 18.35397 1 1809 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 87.5 13.752834 -7.5069118 18.795372 1 1810 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 85.94 12.940068 -7.4525557 19.839293 1 1811 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 82.81 12.686414 -8.542478 20.564884 1 1812 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 83.2 12.362524 -6.313269 20.14968 1 1813 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 96.88 12.551321 -10.847771 14.188988 1 1814 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 97.27 12.656319 -10.441302 12.791669 1 1815 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 97.27 12.410792 -8.940138 12.675711 1 1816 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 97.27 11.458714 -8.414558 13.261108 1 1817 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 96.09 11.652967 -11.210613 11.912831 1 1818 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 92.97 11.600559 -10.64001 10.505824 1 1819 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 91.8 12.023814 -12.686726 11.875065 1 1820 +ATOM N N . THR B0 2 18 . 18 THR B0 N 97.27 13.268689 -8.246696 11.911302 1 1821 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 97.27 13.125763 -6.820883 11.679033 1 1822 +ATOM C C . THR B0 2 18 . 18 THR B0 C 97.66 13.122507 -6.5441723 10.178326 1 1823 +ATOM O O . THR B0 2 18 . 18 THR B0 O 96.88 14.014841 -6.992078 9.457851 1 1824 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 96.48 14.249483 -6.0231504 12.358706 1 1825 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 92.58 14.213223 -6.2506595 13.767878 1 1826 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 91.41 14.106583 -4.5329976 12.089118 1 1827 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 97.66 12.105158 -5.814658 9.722322 1 1828 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 97.66 11.966349 -5.4173937 8.324678 1 1829 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 97.66 12.014028 -3.8953717 8.257817 1 1830 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 97.66 11.40083 -3.2220993 9.086746 1 1831 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 97.66 10.642513 -5.9442177 7.7340455 1 1832 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 96.09 10.614403 -7.473006 7.773123 1 1833 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 96.88 10.442417 -5.4310794 6.310125 1 1834 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 93.36 9.240736 -8.070763 7.5164404 1 1835 +ATOM N N . THR B0 2 20 . 20 THR B0 N 97.66 12.7457485 -3.3569312 7.2803802 1 1836 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 97.66 12.948026 -1.9179158 7.1683245 1 1837 +ATOM C C . THR B0 2 20 . 20 THR B0 C 97.66 12.224983 -1.3563485 5.947803 1 1838 +ATOM O O . THR B0 2 20 . 20 THR B0 O 97.27 12.172095 -2.0013347 4.895925 1 1839 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 96.88 14.447685 -1.5791302 7.0851717 1 1840 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 91.8 15.107548 -2.0657387 8.257528 1 1841 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 90.23 14.682024 -0.08046061 6.9587836 1 1842 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 97.66 11.667238 -0.15699977 6.0967817 1 1843 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 97.27 11.011829 0.5624424 5.0115876 1 1844 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 97.27 11.529577 1.9926679 5.012145 1 1845 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 97.27 11.391463 2.705104 6.006754 1 1846 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 96.88 9.502148 0.5392167 5.2092896 1 1847 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 95.31 8.548807 1.3734372 3.9469118 1 1848 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 97.27 12.15897 2.4248013 3.9029408 1 1849 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 96.88 12.730056 3.7655115 3.8066397 1 1850 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 97.27 11.965994 4.5757594 2.7698696 1 1851 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 96.48 11.747852 4.1100836 1.6427326 1 1852 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 96.48 14.20928 3.6975665 3.44065 1 1853 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 91.41 15.051605 3.020306 4.4977856 1 1854 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 88.28 16.531721 3.095414 4.148084 1 1855 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 82.81 17.349688 2.3732 5.133306 1 1856 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 79.3 17.809717 2.9118252 6.250593 1 1857 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 75.78 17.544857 4.18554 6.5348535 1 1858 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 75.78 18.528471 2.1857162 7.086567 1 1859 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 96.09 11.568522 5.7734656 3.1516232 1 1860 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 95.7 10.8397255 6.6729813 2.263882 1 1861 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 95.7 11.80012 7.6662655 1.6105576 1 1862 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 94.92 12.775462 8.088623 2.225675 1 1863 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 95.31 9.758018 7.4176893 3.0359979 1 1864 +ATOM N N . SER B0 2 24 . 24 SER B0 N 94.53 11.528043 8.031309 0.36269516 1 1865 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 93.75 12.379667 8.970591 -0.36389175 1 1866 +ATOM C C . SER B0 2 24 . 24 SER B0 C 93.36 12.184029 10.406412 0.09578622 1 1867 +ATOM O O . SER B0 2 24 . 24 SER B0 O 91.8 12.980484 11.278509 -0.27444237 1 1868 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 93.36 12.105028 8.873613 -1.8655852 1 1869 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 91.8 10.761446 9.204767 -2.1673775 1 1870 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 92.19 11.157516 10.66094 0.8825135 1 1871 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 91.8 10.90135 11.977671 1.4480941 1 1872 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 93.36 10.28163 11.805032 2.8287315 1 1873 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 92.58 9.8386135 10.711876 3.1861348 1 1874 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 89.84 9.965186 12.798667 0.5539583 1 1875 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 85.16 8.578658 12.181416 0.39351296 1 1876 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 81.64 7.692584 12.984008 -0.5332904 1 1877 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 77.34 8.184595 13.694509 -1.4115615 1 1878 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 74.61 6.3835564 12.879757 -0.35290885 1 1879 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 92.19 10.259327 12.875856 3.6069646 1 1880 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 91.41 9.697754 12.832277 4.9518948 1 1881 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 91.41 8.191276 12.601284 4.871252 1 1882 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 90.23 7.4640675 13.43436 4.338648 1 1883 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 90.62 10.003319 14.139759 5.690165 1 1884 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 89.06 9.626089 14.101024 7.1624537 1 1885 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 87.5 8.917736 13.169008 7.590596 1 1886 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 86.33 10.049841 15.015955 7.90359 1 1887 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 93.36 7.726888 11.453453 5.392381 1 1888 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 92.97 6.2999015 11.143805 5.4057407 1 1889 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 92.19 5.7381444 11.163055 6.822176 1 1890 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 90.62 4.6155252 10.68737 7.049802 1 1891 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 92.97 6.0041375 9.788237 4.735285 1 1892 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 91.8 6.6941123 8.645557 5.4794893 1 1893 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 91.02 6.4475727 9.8202305 3.269217 1 1894 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 89.84 6.285965 7.255582 4.992074 1 1895 +ATOM N N . SER B0 2 28 . 28 SER B0 N 90.62 6.4941187 11.711271 7.7720933 1 1896 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 89.84 6.063612 11.846293 9.162891 1 1897 +ATOM C C . SER B0 2 28 . 28 SER B0 C 91.02 5.606546 10.493704 9.71699 1 1898 +ATOM O O . SER B0 2 28 . 28 SER B0 O 89.84 6.3994446 9.558903 9.776487 1 1899 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 87.89 4.964799 12.89703 9.280216 1 1900 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 83.59 4.6828356 13.194356 10.626724 1 1901 +ATOM N N . SER B0 2 29 . 29 SER B0 N 91.02 4.3497534 10.357729 10.07789 1 1902 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 90.62 3.8128812 9.114506 10.631304 1 1903 +ATOM C C . SER B0 2 29 . 29 SER B0 C 91.8 2.8660102 8.398174 9.670984 1 1904 +ATOM O O . SER B0 2 29 . 29 SER B0 O 90.62 2.1338935 7.4925566 10.082916 1 1905 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 88.67 3.0847766 9.404018 11.948744 1 1906 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 85.16 3.956501 9.98241 12.904089 1 1907 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 93.75 2.8817232 8.765709 8.38294 1 1908 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 94.14 1.9290574 8.225455 7.4141626 1 1909 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 95.31 2.4150438 6.8975844 6.8342295 1 1910 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 94.92 2.6946592 6.7843714 5.6377926 1 1911 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 92.58 1.6839488 9.237438 6.2982707 1 1912 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 96.48 2.5084038 5.8612227 7.6824484 1 1913 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 96.88 3.0004575 4.563134 7.2420154 1 1914 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 96.48 2.1975045 3.4438236 7.8945103 1 1915 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 96.09 1.8921355 3.499165 9.082607 1 1916 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 96.88 4.4812884 4.3899584 7.577675 1 1917 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 96.88 5.1186333 3.1705413 6.8890805 1 1918 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 95.7 5.7907414 2.254108 7.8739057 1 1919 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 95.7 6.0047493 3.560032 5.7487087 1 1920 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 97.66 1.8810897 2.4210227 7.0960846 1 1921 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 97.66 1.1741493 1.2374325 7.569779 1 1922 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 97.66 1.9282627 -0.014971132 7.132681 1 1923 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 98.05 2.7192645 0.018534131 6.1863365 1 1924 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 97.66 -0.25653282 1.202969 7.028389 1 1925 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 98.05 1.6730182 -1.1257474 7.83077 1 1926 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 98.44 2.264658 -2.41953 7.517227 1 1927 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 98.05 1.1747522 -3.4596171 7.3090763 1 1928 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 98.05 0.19225717 -3.5067708 8.058334 1 1929 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 98.44 3.188983 -2.8887165 8.654332 1 1930 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 98.05 4.460292 -2.117824 8.801726 1 1931 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 98.05 4.6951804 -1.0938387 9.668533 1 1932 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 98.44 5.680107 -2.3168516 8.081116 1 1933 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 97.66 5.993923 -0.647526 9.54014 1 1934 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 98.05 6.611617 -1.3740776 8.566809 1 1935 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 98.05 6.069478 -3.1953387 7.0717373 1 1936 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 98.05 7.9207506 -1.2970194 8.077284 1 1937 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 98.05 7.3626013 -3.1178493 6.589186 1 1938 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 97.66 8.271055 -2.1737905 7.088153 1 1939 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 98.44 1.3910983 -4.3420734 6.2912264 1 1940 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 98.44 0.44289356 -5.3955274 5.9541316 1 1941 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 98.44 1.138567 -6.745653 5.8716145 1 1942 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 98.05 2.328318 -6.828413 5.5586953 1 1943 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 98.44 -0.2298459 -5.118967 4.6002254 1 1944 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 98.44 -0.9576082 -3.8013713 4.5350823 1 1945 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 97.27 -0.28336185 -2.6389394 4.1738 1 1946 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 96.88 -2.3021622 -3.7104607 4.8407145 1 1947 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 96.88 -0.93495524 -1.4212948 4.125032 1 1948 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 96.88 -2.9655771 -2.4963236 4.793806 1 1949 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 98.05 -2.2768438 -1.3564827 4.4335084 1 1950 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 97.66 -2.9212952 -0.15254682 4.3944793 1 1951 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 98.05 0.36469007 -7.7884626 6.1222043 1 1952 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 98.44 0.82503474 -9.164642 5.9728355 1 1953 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 98.44 -0.0018284225 -9.837899 4.886284 1 1954 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 98.05 -1.2239417 -9.678478 4.8500195 1 1955 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 97.66 0.6580535 -9.924116 7.295208 1 1956 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 96.88 1.0495322 -11.398643 7.235967 1 1957 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 97.66 0.5470668 -12.175243 8.441818 1 1958 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 91.02 -0.65624833 -12.38957 8.594576 1 1959 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 89.84 1.4631214 -12.567636 9.323627 1 1960 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 97.27 0.66964847 -10.580473 3.9885516 1 1961 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 97.27 -0.05936892 -11.316109 2.9571857 1 1962 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 96.88 0.46517405 -12.741855 2.8456628 1 1963 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 96.88 1.6727961 -12.955505 2.7204409 1 1964 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 97.27 0.04179258 -10.621652 1.5988003 1 1965 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 97.27 -0.82715607 -11.301121 0.54749286 1 1966 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 97.27 -0.710081 -10.6769905 -0.81883526 1 1967 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 92.58 0.3751461 -10.279362 -1.2431324 1 1968 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 92.19 -1.8368852 -10.577956 -1.5254803 1 1969 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 95.31 -0.43478703 -13.687059 2.8925753 1 1970 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 94.53 -0.1085792 -15.096697 2.6984901 1 1971 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 94.53 -0.546236 -15.534038 1.3061514 1 1972 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 94.14 -1.4377875 -14.919187 0.7146094 1 1973 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 94.14 -0.77425325 -15.950048 3.783407 1 1974 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 92.58 -0.25171524 -15.63228 5.1719117 1 1975 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 91.02 -0.8428426 -16.555145 6.223374 1 1976 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 89.06 -0.23949063 -16.241116 7.5809574 1 1977 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 86.33 -0.7776946 -17.125744 8.636564 1 1978 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 91.41 0.09476301 -16.58934 0.7460253 1 1979 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 90.23 -0.22280395 -16.995037 -0.62498474 1 1980 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 90.62 -1.716073 -17.245491 -0.82470226 1 1981 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 89.45 -2.3626962 -17.929218 -0.030358681 1 1982 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 88.67 0.5852214 -18.278637 -0.80908185 1 1983 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 87.11 1.7557163 -18.112709 0.11123255 1 1984 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 88.67 1.193637 -17.391893 1.3141654 1 1985 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 91.41 -2.2550955 -16.653936 -1.8863481 1 1986 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 90.62 -3.6551938 -16.83539 -2.2287614 1 1987 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 91.8 -4.6314445 -16.069489 -1.3645728 1 1988 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 90.62 -5.845254 -16.253584 -1.5021291 1 1989 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 96.48 -4.119218 -15.203707 -0.47262686 1 1990 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 96.09 -4.9786386 -14.450531 0.4399535 1 1991 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 96.48 -4.8103824 -12.953188 0.23210672 1 1992 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 96.09 -3.7858505 -12.488486 -0.303096 1 1993 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 95.31 -4.657573 -14.804127 1.8929676 1 1994 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 91.41 -4.778815 -16.287357 2.220885 1 1995 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 86.72 -6.2191343 -16.774822 2.0942557 1 1996 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 82.03 -6.3325753 -18.237783 2.4912968 1 1997 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 75.78 -7.714283 -18.737827 2.3489914 1 1998 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 97.27 -5.808863 -12.196465 0.65480924 1 1999 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 97.66 -5.723201 -10.741623 0.6120397 1 2000 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 97.66 -4.781367 -10.244492 1.7050498 1 2001 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 97.27 -4.5891995 -10.914484 2.7217054 1 2002 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 97.27 -7.104136 -10.126155 0.7951212 1 2003 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 98.44 -4.189149 -9.063609 1.5153942 1 2004 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 98.44 -3.3725924 -8.492296 2.5887375 1 2005 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 98.44 -4.20054 -8.233126 3.8437936 1 2006 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 98.05 -5.4169455 -8.0435705 3.781597 1 2007 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 98.05 -2.8577433 -7.1810946 1.9806893 1 2008 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 96.88 -2.9179256 -7.405308 0.5049243 1 2009 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 98.05 -4.1377172 -8.258242 0.28795117 1 2010 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 98.44 -3.5183613 -8.24254 4.9909697 1 2011 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 98.44 -4.1471105 -7.9990273 6.282591 1 2012 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 98.44 -3.3864121 -6.8921185 6.9913073 1 2013 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 98.44 -2.1612287 -6.947917 7.11008 1 2014 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 98.05 -4.132721 -9.279657 7.1228333 1 2015 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 93.75 -4.5950313 -9.10563 8.554594 1 2016 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 91.41 -4.363827 -10.38637 9.345803 1 2017 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 85.16 -4.7084465 -10.19972 10.811817 1 2018 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 80.47 -4.4100676 -11.420448 11.605289 1 2019 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 98.05 -4.119593 -5.8699684 7.470267 1 2020 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 98.05 -3.4867828 -4.760817 8.178181 1 2021 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 98.05 -2.90664 -5.2205567 9.515299 1 2022 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 98.05 -3.5816069 -5.8972797 10.293406 1 2023 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 97.66 -4.5004864 -3.6352596 8.41988 1 2024 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 97.27 -3.9941418 -2.4221387 9.1953535 1 2025 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 96.09 -5.166811 -1.5297174 9.589958 1 2026 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 95.7 -2.9659853 -1.6469562 8.392976 1 2027 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 98.44 -1.6529713 -4.8535476 9.777567 1 2028 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 98.44 -1.0049977 -5.152254 11.042271 1 2029 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 98.05 -0.83435005 -3.8876703 11.882806 1 2030 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 97.66 -1.1959639 -3.8637936 13.060956 1 2031 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 98.05 0.3779644 -5.7693605 10.818682 1 2032 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 98.05 0.47140604 -7.0837183 10.05077 1 2033 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 97.27 1.9461476 -7.428056 9.824808 1 2034 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 96.48 -0.22836515 -8.194229 10.804265 1 2035 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 97.27 -0.2366429 -2.8674145 11.286497 1 2036 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 97.27 0.15943047 -1.6334183 11.966454 1 2037 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 97.66 -0.28121507 -0.44201666 11.119852 1 2038 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 97.66 -0.1552434 -0.4714623 9.892479 1 2039 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 97.66 1.6938611 -1.56699 12.169158 1 2040 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 96.88 2.2020874 -2.760449 12.9908085 1 2041 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 97.66 2.1154404 -0.24349137 12.779264 1 2042 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 94.14 1.8897111 -2.6958258 14.463403 1 2043 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 96.09 -0.80639076 0.6105752 11.766796 1 2044 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 96.09 -1.0856581 1.8603201 11.076659 1 2045 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 96.09 -0.5114033 3.0206509 11.860507 1 2046 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 96.09 -0.20689642 2.895924 13.054602 1 2047 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 95.31 -2.597367 2.0444202 10.839937 1 2048 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 94.53 -3.4350228 2.0909195 12.108782 1 2049 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 93.75 -3.957469 0.9255826 12.665716 1 2050 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 93.36 -3.7213645 3.2987757 12.72464 1 2051 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 92.19 -4.7336693 0.9652811 13.812757 1 2052 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 92.19 -4.502306 3.3495963 13.869344 1 2053 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 92.58 -5.0016713 2.1808028 14.403095 1 2054 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 91.8 -5.7728457 2.2244077 15.541564 1 2055 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 94.53 -0.33260846 4.1717057 11.19687 1 2056 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 94.53 0.2641195 5.354724 11.808049 1 2057 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 94.92 1.5628481 4.999156 12.531409 1 2058 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 94.14 1.8118608 5.4263744 13.654751 1 2059 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 92.97 -0.72471327 6.032837 12.760918 1 2060 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 91.41 -1.8783753 6.7079687 12.034891 1 2061 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 89.06 -1.8885739 6.713456 10.784637 1 2062 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 87.5 -2.7735932 7.240331 12.720978 1 2063 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 95.7 2.4087374 4.1897516 11.864125 1 2064 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 95.7 3.738546 3.7750685 12.288894 1 2065 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 96.09 3.7275867 2.7006888 13.37116 1 2066 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 95.31 4.35347 1.6549432 13.201272 1 2067 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 94.92 4.623769 4.962839 12.736863 1 2068 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 92.97 6.0100985 4.4821243 13.145397 1 2069 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 92.58 4.735714 6.001596 11.612661 1 2070 +ATOM N N . SER B0 2 50 . 50 SER B0 N 94.92 3.0055172 2.9482908 14.482071 1 2071 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 94.53 3.1393514 2.0771086 15.640153 1 2072 +ATOM C C . SER B0 2 50 . 50 SER B0 C 94.53 1.8229854 1.5979345 16.24289 1 2073 +ATOM O O . SER B0 2 50 . 50 SER B0 O 94.14 1.8545101 0.8746982 17.24116 1 2074 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 92.97 3.9648623 2.772863 16.73172 1 2075 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 91.41 3.318999 3.9539018 17.176197 1 2076 +ATOM N N . SER B0 2 51 . 51 SER B0 N 94.14 0.67506486 1.9814934 15.664007 1 2077 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 94.14 -0.60860986 1.5798866 16.22639 1 2078 +ATOM C C . SER B0 2 51 . 51 SER B0 C 95.31 -0.95971465 0.16089699 15.775543 1 2079 +ATOM O O . SER B0 2 51 . 51 SER B0 O 95.31 -1.0469499 -0.11832998 14.580403 1 2080 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 92.58 -1.7071264 2.5543342 15.810922 1 2081 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 89.45 -1.4677136 3.8527431 16.324955 1 2082 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 96.09 -1.1649151 -0.74010915 16.741661 1 2083 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 96.09 -1.4618526 -2.1397192 16.456837 1 2084 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 95.7 -2.9440675 -2.297328 16.1329 1 2085 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 94.92 -3.8068898 -1.8814466 16.904964 1 2086 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 96.48 -1.0871588 -3.0087128 17.655272 1 2087 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 95.31 -1.0243294 -4.5200243 17.452442 1 2088 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 94.14 -0.8785159 -5.230143 18.785822 1 2089 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 93.36 0.11193857 -4.8845205 16.506926 1 2090 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 96.09 -3.235034 -2.898792 14.966914 1 2091 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 96.09 -4.624855 -3.1271977 14.584614 1 2092 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 96.09 -5.2779 -4.1102777 15.552088 1 2093 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 96.09 -4.635993 -5.0356593 16.054367 1 2094 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 95.31 -4.691942 -3.66861 13.150103 1 2095 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 94.14 -6.0724173 -4.151565 12.699205 1 2096 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 93.36 -7.0944705 -3.0637217 12.488144 1 2097 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 91.41 -7.014208 -1.993228 13.137999 1 2098 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 90.62 -8.014885 -3.2665284 11.676271 1 2099 +ATOM N N . SER B0 2 54 . 54 SER B0 N 94.53 -6.567263 -3.9200919 15.812548 1 2100 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 93.75 -7.313187 -4.793454 16.710846 1 2101 +ATOM C C . SER B0 2 54 . 54 SER B0 C 94.53 -7.208877 -6.247254 16.249557 1 2102 +ATOM O O . SER B0 2 54 . 54 SER B0 O 93.75 -7.387413 -6.5564575 15.071081 1 2103 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 92.19 -8.780905 -4.356922 16.75634 1 2104 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 86.72 -9.550493 -5.2123346 17.578083 1 2105 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 96.09 -6.9231973 -7.1366386 17.185852 1 2106 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 95.7 -6.8145213 -8.5545435 16.896988 1 2107 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 96.48 -5.4368095 -9.018734 16.474453 1 2108 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 95.7 -5.2102337 -10.23117 16.376526 1 2109 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 96.88 -4.5190372 -8.087189 16.20887 1 2110 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 97.27 -3.16399 -8.454409 15.8040085 1 2111 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 96.88 -2.3339877 -8.748164 17.050137 1 2112 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 96.48 -2.3729453 -7.977824 18.017874 1 2113 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 97.66 -2.515223 -7.338846 14.968067 1 2114 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 96.88 -1.0725846 -7.673181 14.647423 1 2115 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 96.09 -3.3231492 -7.105771 13.688245 1 2116 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 97.27 -1.5860946 -9.869238 17.070526 1 2117 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 97.27 -0.79576206 -10.223492 18.255898 1 2118 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 97.27 0.2242248 -9.149321 18.626568 1 2119 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 96.88 0.78801465 -8.478777 17.760048 1 2120 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 96.88 -0.099339634 -11.528613 17.844873 1 2121 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 95.7 -0.9674262 -12.097323 16.772541 1 2122 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 96.48 -1.5063459 -10.907937 16.025826 1 2123 +ATOM N N . SER B0 2 58 . 58 SER B0 N 96.88 0.475873 -9.003195 19.933762 1 2124 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 96.48 1.3698175 -7.979779 20.445461 1 2125 +ATOM C C . SER B0 2 58 . 58 SER B0 C 97.27 2.8319001 -8.216696 20.086586 1 2126 +ATOM O O . SER B0 2 58 . 58 SER B0 O 96.88 3.667689 -7.330641 20.315823 1 2127 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 95.31 1.2232349 -7.858863 21.963863 1 2128 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 91.02 1.5426165 -9.077797 22.60466 1 2129 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 97.27 3.1749434 -9.389695 19.530617 1 2130 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 97.66 4.547426 -9.609445 19.103245 1 2131 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 97.66 4.9189577 -8.76162 17.89302 1 2132 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 96.88 6.106058 -8.607882 17.591675 1 2133 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 96.48 4.805786 -11.090502 18.814613 1 2134 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 95.31 4.020479 -11.654538 17.650677 1 2135 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 94.92 4.3096514 -13.146792 17.495945 1 2136 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 94.14 3.4870625 -13.772669 16.45316 1 2137 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 94.92 2.264176 -14.248761 16.67757 1 2138 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 92.97 1.7068431 -14.164793 17.889431 1 2139 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 93.36 1.6000634 -14.785947 15.6866665 1 2140 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 98.05 3.9086452 -8.174833 17.19928 1 2141 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 98.05 4.156004 -7.2433534 16.105497 1 2142 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 97.66 4.2540617 -5.818048 16.646374 1 2143 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 97.27 3.4246988 -5.4045496 17.461998 1 2144 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 98.05 3.0273662 -7.3064623 15.075088 1 2145 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 98.05 2.9681082 -8.591949 14.304138 1 2146 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 96.48 2.1584685 -9.63116 14.730186 1 2147 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 96.09 3.7148042 -8.756843 13.152374 1 2148 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 96.48 2.0970452 -10.820141 14.019604 1 2149 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 96.48 3.654487 -9.941655 12.433632 1 2150 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 97.27 2.841803 -10.970982 12.864998 1 2151 +ATOM N N . SER B0 2 61 . 61 SER B0 N 98.05 5.2503285 -5.0821366 16.189358 1 2152 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 97.66 5.377737 -3.682108 16.57654 1 2153 +ATOM C C . SER B0 2 61 . 61 SER B0 C 98.05 6.02184 -2.8942368 15.442772 1 2154 +ATOM O O . SER B0 2 61 . 61 SER B0 O 97.66 6.7826242 -3.4373512 14.645365 1 2155 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 97.27 6.1948233 -3.5232546 17.86179 1 2156 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 94.14 7.5331545 -3.9230013 17.670246 1 2157 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 97.27 5.6763954 -1.6171997 15.357107 1 2158 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 96.88 6.250039 -0.72224617 14.366062 1 2159 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 96.88 6.889817 0.47703528 15.033194 1 2160 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 96.48 6.473097 0.90386194 16.108751 1 2161 +ATOM N N . SER B0 2 63 . 63 SER B0 N 97.27 7.9100866 1.0246696 14.395742 1 2162 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 96.88 8.597613 2.192739 14.927518 1 2163 +ATOM C C . SER B0 2 63 . 63 SER B0 C 97.27 9.174639 3.008791 13.778391 1 2164 +ATOM O O . SER B0 2 63 . 63 SER B0 O 96.48 9.216282 2.5534425 12.633236 1 2165 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 96.48 9.701816 1.7953858 15.90872 1 2166 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 92.58 10.721966 1.0803468 15.2561655 1 2167 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 95.7 9.616131 4.228828 14.109596 1 2168 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 95.31 10.239662 5.0918083 13.123024 1 2169 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 95.31 9.503771 6.404019 12.966706 1 2170 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 94.14 8.404301 6.5909605 13.471897 1 2171 +ATOM N N . SER B0 2 65 . 65 SER B0 N 94.14 10.129074 7.3043222 12.236326 1 2172 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 93.75 9.550865 8.608959 11.947144 1 2173 +ATOM C C . SER B0 2 65 . 65 SER B0 C 94.14 10.30913 9.235094 10.787221 1 2174 +ATOM O O . SER B0 2 65 . 65 SER B0 O 92.97 11.502105 8.995695 10.620422 1 2175 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 92.19 9.605975 9.518634 13.169687 1 2176 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 88.28 9.032527 10.78396 12.910049 1 2177 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 93.75 9.59525 10.03488 9.990814 1 2178 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 93.75 10.246365 10.756647 8.917685 1 2179 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 94.14 10.458439 9.92267 7.669238 1 2180 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 93.75 9.562115 9.8034725 6.8306494 1 2181 +ATOM N N . THR B0 2 67 . 67 THR B0 N 95.7 11.6466055 9.316309 7.549826 1 2182 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 96.09 11.990135 8.558047 6.3576417 1 2183 +ATOM C C . THR B0 2 67 . 67 THR B0 C 96.48 12.401797 7.115867 6.640046 1 2184 +ATOM O O . THR B0 2 67 . 67 THR B0 O 96.48 12.61079 6.3495417 5.690019 1 2185 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 94.92 13.136265 9.236283 5.5798497 1 2186 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 93.36 14.294957 9.32832 6.415331 1 2187 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 92.58 12.741627 10.64139 5.1113605 1 2188 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 96.48 12.528332 6.718581 7.914485 1 2189 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 96.48 13.064859 5.4081354 8.259098 1 2190 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 96.88 12.115065 4.69013 9.216587 1 2191 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 96.48 11.87191 5.1829967 10.325265 1 2192 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 95.7 14.451838 5.5694733 8.900404 1 2193 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 91.8 15.226311 4.2665443 8.9704 1 2194 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 88.67 16.335432 4.28739 9.5443 1 2195 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 87.89 14.729332 3.2260711 8.462432 1 2196 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 97.27 11.598693 3.537721 8.799656 1 2197 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 97.27 10.596532 2.8221354 9.582779 1 2198 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 97.66 10.952747 1.3382944 9.673645 1 2199 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 97.27 11.592548 0.7906492 8.775871 1 2200 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 97.27 9.20854 2.9881668 8.951052 1 2201 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 96.88 8.806343 4.4219007 8.776825 1 2202 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 95.31 9.126764 5.110056 7.6114125 1 2203 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 95.31 8.1304655 5.088469 9.781863 1 2204 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 94.14 8.7793045 6.4398046 7.459651 1 2205 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 94.53 7.776057 6.4198313 9.630776 1 2206 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 94.92 8.099512 7.096406 8.464127 1 2207 +ATOM N N . THR B0 2 70 . 70 THR B0 N 97.66 10.513302 0.69556 10.760771 1 2208 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 97.66 10.767254 -0.72503746 10.933598 1 2209 +ATOM C C . THR B0 2 70 . 70 THR B0 C 98.05 9.523441 -1.4453933 11.448849 1 2210 +ATOM O O . THR B0 2 70 . 70 THR B0 O 97.66 8.733217 -0.88590235 12.208738 1 2211 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 97.27 11.92938 -0.9926193 11.908279 1 2212 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 92.19 11.60543 -0.4685462 13.192463 1 2213 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 91.41 13.227585 -0.3808007 11.407926 1 2214 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 98.05 9.376168 -2.6921449 10.999714 1 2215 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 98.05 8.406043 -3.6335478 11.549982 1 2216 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 98.05 9.19137 -4.7183805 12.269184 1 2217 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 97.66 10.144572 -5.2691736 11.706684 1 2218 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 98.05 7.5512056 -4.253747 10.440688 1 2219 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 97.66 6.5917115 -5.375171 10.883389 1 2220 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 96.88 6.074685 -6.1435885 9.66983 1 2221 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 96.88 5.4431057 -4.814359 11.705152 1 2222 +ATOM N N . THR B0 2 72 . 72 THR B0 N 97.66 8.818003 -5.005397 13.514633 1 2223 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 98.05 9.5100155 -6.021894 14.288958 1 2224 +ATOM C C . THR B0 2 72 . 72 THR B0 C 98.05 8.526507 -7.1073003 14.725666 1 2225 +ATOM O O . THR B0 2 72 . 72 THR B0 O 97.66 7.427273 -6.8014765 15.185937 1 2226 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 97.66 10.188211 -5.4087787 15.529171 1 2227 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 94.53 11.164843 -4.449521 15.112548 1 2228 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 94.14 10.875847 -6.4822483 16.368732 1 2229 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 97.66 8.919166 -8.366013 14.542421 1 2230 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 97.66 8.203962 -9.501448 15.1101465 1 2231 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 97.66 9.120548 -10.05714 16.194061 1 2232 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 97.27 10.180282 -10.604177 15.894437 1 2233 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 97.66 7.891417 -10.581366 14.051619 1 2234 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 96.48 7.2945647 -9.946737 12.793384 1 2235 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 95.7 6.9415445 -11.622494 14.640376 1 2236 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 95.31 7.0954213 -10.922105 11.638334 1 2237 +ATOM N N . SER B0 2 74 . 74 SER B0 N 97.66 8.725817 -9.889975 17.451826 1 2238 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 96.88 9.61128 -10.191501 18.57578 1 2239 +ATOM C C . SER B0 2 74 . 74 SER B0 C 96.88 9.905528 -11.678953 18.729042 1 2240 +ATOM O O . SER B0 2 74 . 74 SER B0 O 96.09 11.004432 -12.044655 19.15659 1 2241 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 96.48 9.011782 -9.653036 19.872902 1 2242 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 94.53 7.7807236 -10.291554 20.152546 1 2243 +ATOM N N . SER B0 2 75 . 75 SER B0 N 96.48 8.956903 -12.537949 18.397999 1 2244 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 96.48 9.126633 -13.989834 18.513718 1 2245 +ATOM C C . SER B0 2 75 . 75 SER B0 C 96.48 8.316431 -14.653662 17.40465 1 2246 +ATOM O O . SER B0 2 75 . 75 SER B0 O 95.7 7.1060123 -14.840237 17.538671 1 2247 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 95.7 8.684824 -14.484999 19.892124 1 2248 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 91.41 8.914303 -15.886726 20.02829 1 2249 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 95.7 8.993933 -14.986753 16.31528 1 2250 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 95.31 8.3323 -15.490578 15.110161 1 2251 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 95.7 7.54749 -16.766542 15.392847 1 2252 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 94.92 8.057538 -17.687206 16.043356 1 2253 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 95.31 9.378338 -15.734522 14.021622 1 2254 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 94.14 8.908169 -15.781433 12.571625 1 2255 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 92.58 10.076227 -16.205925 11.695416 1 2256 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 92.19 8.364601 -14.431671 12.135907 1 2257 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 94.14 6.311431 -16.802883 14.909429 1 2258 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 94.14 5.4500723 -17.966171 15.053616 1 2259 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 93.36 5.21801 -18.599503 13.687548 1 2260 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 92.58 5.427114 -17.956253 12.654961 1 2261 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 94.14 4.1138163 -17.573105 15.696829 1 2262 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 93.36 4.2608995 -16.963753 17.084002 1 2263 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 91.8 4.948413 -17.910275 18.051266 1 2264 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 89.06 4.515936 -19.03734 18.238901 1 2265 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 88.28 6.038172 -17.457455 18.64892 1 2266 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 91.02 4.7868214 -19.889994 13.647522 1 2267 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 89.84 4.605915 -20.552711 12.354036 1 2268 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 91.02 3.6763215 -19.797838 11.408751 1 2269 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 90.23 3.9179897 -19.771975 10.198412 1 2270 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 88.67 4.020128 -21.912931 12.748308 1 2271 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 87.11 4.569845 -22.174515 14.106525 1 2272 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 88.28 4.590473 -20.824017 14.772667 1 2273 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 92.97 2.632073 -19.151949 11.941795 1 2274 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 92.58 1.6847725 -18.443819 11.098125 1 2275 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 92.97 2.2119505 -17.097176 10.603627 1 2276 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 91.8 1.5364866 -16.420107 9.820347 1 2277 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 91.41 0.355889 -18.235218 11.844886 1 2278 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 87.5 0.46473682 -17.357662 13.095395 1 2279 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 84.77 0.67197955 -18.167356 14.357877 1 2280 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 82.03 1.2868189 -19.259312 14.297611 1 2281 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 81.25 0.23174715 -17.707077 15.432844 1 2282 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 94.92 3.4087124 -16.690163 11.040736 1 2283 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 94.92 3.9867935 -15.413241 10.638453 1 2284 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 94.53 4.8033752 -15.497856 9.357109 1 2285 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 93.75 5.242662 -14.4559555 8.854523 1 2286 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 95.31 4.8759537 -14.846497 11.758678 1 2287 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 95.7 4.1192207 -14.616842 13.046341 1 2288 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 94.53 2.8720865 -14.489036 12.999695 1 2289 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 94.14 4.76635 -14.567596 14.114124 1 2290 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 94.14 5.0278807 -16.692053 8.8298645 1 2291 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 93.36 5.753879 -16.822483 7.576312 1 2292 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 93.75 4.833109 -16.38797 6.436075 1 2293 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 92.58 3.832016 -17.033241 6.1648936 1 2294 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 91.8 6.2745004 -18.244625 7.4078045 1 2295 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 87.89 7.3414197 -18.582796 8.405891 1 2296 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 86.33 7.0352483 -19.311386 9.55006 1 2297 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 85.16 8.641347 -18.14673 8.215062 1 2298 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 83.2 8.013922 -19.599323 10.484723 1 2299 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 82.81 9.623676 -18.436995 9.152478 1 2300 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 82.03 9.310534 -19.167313 10.291058 1 2301 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 95.31 5.193521 -15.268116 5.823143 1 2302 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 95.31 4.3273306 -14.571669 4.8716874 1 2303 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 95.31 5.137844 -13.462164 4.2219057 1 2304 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 95.31 6.3258767 -13.308096 4.498008 1 2305 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 94.92 3.1054976 -13.992109 5.59065 1 2306 +ATOM N N . THR B0 2 83 . 83 THR B0 N 96.88 4.478584 -12.690188 3.3558424 1 2307 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 96.88 5.0994015 -11.510923 2.7682996 1 2308 +ATOM C C . THR B0 2 83 . 83 THR B0 C 97.66 4.5481167 -10.264377 3.4586663 1 2309 +ATOM O O . THR B0 2 83 . 83 THR B0 O 97.27 3.3437347 -10.168229 3.7137594 1 2310 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 96.48 4.836075 -11.439471 1.2518167 1 2311 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 94.92 5.376806 -12.623214 0.631785 1 2312 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 94.92 5.4911838 -10.212004 0.62797916 1 2313 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 98.05 5.429891 -9.324019 3.776741 1 2314 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 98.05 5.0654306 -8.104671 4.489397 1 2315 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 98.05 5.3130627 -6.8844395 3.6133795 1 2316 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 97.66 6.344948 -6.7911572 2.9390907 1 2317 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 98.05 5.8468385 -7.9973583 5.807042 1 2318 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 98.44 5.4918823 -9.102893 6.7722626 1 2319 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 96.88 6.0985007 -10.350996 6.690679 1 2320 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 96.48 4.5127325 -8.910476 7.7363043 1 2321 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 97.27 5.7418127 -11.382826 7.547903 1 2322 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 97.27 4.150568 -9.932314 8.603056 1 2323 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 97.66 4.7690907 -11.166007 8.502305 1 2324 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 97.66 4.4094095 -12.178932 9.345539 1 2325 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 98.05 4.3410597 -5.957831 3.6160755 1 2326 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 98.05 4.4205217 -4.7393866 2.8200896 1 2327 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 98.44 4.24508 -3.502509 3.6919518 1 2328 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 98.05 3.3981848 -3.4890034 4.5947113 1 2329 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 98.44 3.316612 -4.707749 1.7542324 1 2330 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 98.05 3.4229658 -5.76472 0.685588 1 2331 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 97.27 2.737772 -6.9704704 0.79979366 1 2332 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 96.88 4.191061 -5.5538588 -0.45241523 1 2333 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 96.48 2.8279147 -7.9391365 -0.18583962 1 2334 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 96.88 4.2817926 -6.5190535 -1.444415 1 2335 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 97.27 3.5962071 -7.705947 -1.3065414 1 2336 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 96.09 3.6821632 -8.657459 -2.2729473 1 2337 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 98.05 5.039221 -2.466909 3.4358706 1 2338 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 98.05 4.7739506 -1.1544031 4.0038724 1 2339 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 98.05 4.0028114 -0.32364985 2.9897888 1 2340 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 98.05 4.001335 -0.6235725 1.792917 1 2341 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 97.66 6.065886 -0.44565296 4.422492 1 2342 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 96.88 7.266633 -0.19710195 3.1203923 1 2343 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 98.05 3.3077261 0.7033602 3.4644182 1 2344 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 97.66 2.4929814 1.5557333 2.604836 1 2345 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 98.05 2.4697611 2.9700105 3.1653159 1 2346 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 97.66 2.312146 3.152316 4.370942 1 2347 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 97.27 1.0672708 1.0135462 2.4964032 1 2348 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 96.48 0.088994205 1.944237 1.7660396 1 2349 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 97.27 -0.94487333 2.5444477 2.7004395 1 2350 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 91.8 -1.7191389 1.8257328 3.3227925 1 2351 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 91.8 -0.9509514 3.865916 2.8149557 1 2352 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 96.88 2.656438 3.951104 2.2795725 1 2353 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 96.48 2.560279 5.346573 2.6839569 1 2354 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 96.88 1.3554575 5.9965553 2.0205717 1 2355 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 96.48 0.9571611 5.6145005 0.9225882 1 2356 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 95.7 3.8251834 6.131514 2.3214326 1 2357 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 93.36 4.003141 6.3515644 0.821596 1 2358 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 92.58 5.0960264 7.3551354 0.4913416 1 2359 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 89.45 5.261543 8.3524685 1.1866412 1 2360 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 87.5 5.8509517 7.0734444 -0.5641724 1 2361 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 94.14 0.7841994 6.9812117 2.6980271 1 2362 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 93.36 -0.23523395 7.871914 2.1425004 1 2363 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 92.97 0.3786247 9.264033 2.0884094 1 2364 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 91.8 0.79070807 9.791413 3.122123 1 2365 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 92.58 -1.4851941 7.8633494 3.0249958 1 2366 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 91.8 -2.5408874 8.84457 2.600777 1 2367 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 90.23 -3.0226293 9.783905 3.497931 1 2368 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 89.45 -3.06137 8.821619 1.3244855 1 2369 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 87.89 -4.0051975 10.688517 3.1176896 1 2370 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 87.5 -4.0420194 9.721079 0.9398806 1 2371 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 87.89 -4.516198 10.65748 1.8365054 1 2372 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 91.02 0.49165517 9.831715 0.8889011 1 2373 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 90.23 1.2223628 11.0798645 0.6794745 1 2374 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 90.62 0.3140563 12.3022785 0.53035456 1 2375 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 89.06 0.6429199 13.235239 -0.21384907 1 2376 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 88.28 2.1318495 10.941642 -0.54017055 1 2377 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 85.16 3.259945 11.953468 -0.53854275 1 2378 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 81.64 3.6445017 12.461575 0.5123409 1 2379 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 80.47 3.809731 12.230007 -1.7060634 1 2380 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 88.28 -0.79918504 12.351782 1.246279 1 2381 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 87.5 -1.6367767 13.53714 1.3011878 1 2382 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 87.5 -2.5845942 13.699087 0.12321165 1 2383 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 85.55 -2.716155 12.811068 -0.7191994 1 2384 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 87.89 -3.2511044 14.877085 0.06269027 1 2385 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 87.5 -4.2056623 15.160329 -0.99942553 1 2386 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 87.89 -3.56452 15.989676 -2.1098814 1 2387 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 85.94 -2.7805064 16.901731 -1.8223373 1 2388 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 85.94 -5.4281607 15.90316 -0.43859768 1 2389 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 84.38 -6.3232646 15.025872 0.39923346 1 2390 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 81.64 -6.2080564 14.997664 1.7784228 1 2391 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 80.86 -7.2932196 14.215195 -0.19698554 1 2392 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 79.3 -7.0257864 14.19109 2.547958 1 2393 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 78.52 -8.109566 13.40796 0.55802 1 2394 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 78.52 -7.984267 13.392294 1.9338899 1 2395 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 77.73 -8.794416 12.591101 2.694387 1 2396 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 87.5 -3.9203663 15.714819 -3.3902287 1 2397 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 87.89 -4.803948 14.605921 -3.772047 1 2398 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 89.06 -4.200366 13.261164 -3.3899913 1 2399 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 87.89 -2.9776554 13.133287 -3.2683835 1 2400 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 85.94 -4.9065623 14.746721 -5.2944407 1 2401 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 83.98 -3.6370418 15.407949 -5.674361 1 2402 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 83.98 -3.3319645 16.375156 -4.550157 1 2403 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 90.23 -5.0693226 12.260674 -3.1719599 1 2404 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 90.23 -4.6184897 10.953789 -2.7008443 1 2405 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 90.23 -3.472456 10.413696 -3.547431 1 2406 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 88.28 -3.5679383 10.340673 -4.7793336 1 2407 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 89.45 -5.780281 9.949879 -2.728177 1 2408 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 89.06 -6.785649 10.156926 -1.6367195 1 2409 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 85.94 -7.5833015 11.280455 -1.5635695 1 2410 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 85.55 -7.133336 9.378222 -0.58829796 1 2411 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 85.55 -8.375833 11.177587 -0.5045367 1 2412 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 85.55 -8.119516 10.040174 0.10203028 1 2413 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 92.19 -2.390059 10.044889 -2.888295 1 2414 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 93.36 -1.2562475 9.389965 -3.5123863 1 2415 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 94.53 -0.7461641 8.325125 -2.5614977 1 2416 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 93.75 -0.28352004 8.639239 -1.4569498 1 2417 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 90.62 -0.14333448 10.386456 -3.8422008 1 2418 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 86.72 -0.5210903 11.439457 -4.8975525 1 2419 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 83.2 -0.6322374 10.835171 -6.2917824 1 2420 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 78.91 -0.8355969 11.844594 -7.3261356 1 2421 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 75.78 -2.0253568 12.293425 -7.7225614 1 2422 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 71.88 -3.139576 11.833899 -7.146535 1 2423 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 72.27 -2.1179504 13.207178 -8.65394 1 2424 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 95.7 -0.8477906 7.06969 -2.969729 1 2425 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 95.7 -0.4665922 5.932088 -2.1511278 1 2426 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 96.09 0.6159872 5.119029 -2.8547058 1 2427 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 95.31 0.56553966 4.942823 -4.0769596 1 2428 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 95.7 -1.6757783 5.02083 -1.9012909 1 2429 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 94.14 -2.8514256 5.6181426 -1.1290381 1 2430 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 92.58 -4.1460648 4.9375887 -1.5202475 1 2431 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 91.8 -2.614097 5.5027103 0.36253756 1 2432 +ATOM N N . THR B0 2 97 . 97 THR B0 N 97.27 1.5745158 4.6223626 -2.0842545 1 2433 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 96.88 2.5771134 3.7152076 -2.6362357 1 2434 +ATOM C C . THR B0 2 97 . 97 THR B0 C 97.66 2.8655052 2.6003354 -1.6348338 1 2435 +ATOM O O . THR B0 2 97 . 97 THR B0 O 97.27 2.8252094 2.8170967 -0.41969424 1 2436 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 96.09 3.903234 4.4279103 -2.9877796 1 2437 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 91.02 4.404151 5.1230702 -1.8487456 1 2438 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 90.23 3.7091436 5.40888 -4.1464844 1 2439 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 97.66 3.1375065 1.4034896 -2.1689286 1 2440 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 98.05 3.5377889 0.2602195 -1.3601921 1 2441 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 97.66 5.0202065 -0.01842286 -1.5578389 1 2442 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 97.27 5.58109 0.24716443 -2.623462 1 2443 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 97.66 2.7472925 -0.9962796 -1.7636315 1 2444 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 98.05 1.292992 -0.96097195 -1.4238904 1 2445 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 97.27 0.36727238 -0.51334393 -2.3538225 1 2446 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 96.88 0.8436539 -1.390821 -0.19195676 1 2447 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 96.88 -0.98298806 -0.4865186 -2.0436382 1 2448 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 96.88 -0.50096935 -1.3680203 0.12499343 1 2449 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 97.66 -1.4166707 -0.9191836 -0.80783844 1 2450 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 97.66 5.649318 -0.5747077 -0.507152 1 2451 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 97.66 7.0028124 -1.0833175 -0.6604821 1 2452 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 97.66 6.991351 -2.3567307 -1.4938519 1 2453 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 97.27 5.9428234 -2.9316423 -1.7825296 1 2454 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 96.88 8.166735 -2.8152518 -1.877451 1 2455 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 96.88 8.29085 -3.9876442 -2.7303805 1 2456 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 97.27 8.012782 -5.3057013 -2.056691 1 2457 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 96.88 7.8855486 -6.331028 -2.7277868 1 2458 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 96.88 7.90952 -5.3061414 -0.7430942 1 2459 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 96.88 7.6011696 -6.5143423 0.0065295133 1 2460 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 96.88 8.827401 -7.225477 0.55076045 1 2461 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 96.88 9.925344 -7.1143503 -0.0086625535 1 2462 +ATOM N N . THR B0 2 102 . 102 THR B0 N 96.48 8.632946 -7.9205384 1.6658462 1 2463 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 96.48 9.650015 -8.7660885 2.267898 1 2464 +ATOM C C . THR B0 2 102 . 102 THR B0 C 96.48 9.0226345 -10.133048 2.539007 1 2465 +ATOM O O . THR B0 2 102 . 102 THR B0 O 96.48 8.048936 -10.229684 3.2874465 1 2466 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 96.88 10.18444 -8.179996 3.5875874 1 2467 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 96.09 10.850839 -6.9388223 3.3292117 1 2468 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 96.09 11.15767 -9.150383 4.2602215 1 2469 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 95.7 9.569351 -11.182776 1.9158463 1 2470 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 95.31 9.058416 -12.525167 2.123011 1 2471 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 95.7 9.839991 -13.197572 3.2459648 1 2472 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 95.31 11.059755 -13.360237 3.1491117 1 2473 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 94.14 9.155411 -13.352391 0.8345523 1 2474 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 89.84 8.448483 -14.700967 0.9402174 1 2475 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 87.11 8.426212 -15.415955 -0.40643913 1 2476 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 81.64 7.628816 -16.714054 -0.30949852 1 2477 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 76.56 7.5783896 -17.409187 -1.604379 1 2478 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 95.31 9.131219 -13.556297 4.319022 1 2479 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 95.7 9.74714 -14.234605 5.455137 1 2480 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 94.92 9.490753 -15.723926 5.297758 1 2481 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 93.75 8.340295 -16.171097 5.3297186 1 2482 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 95.7 9.184931 -13.722755 6.792434 1 2483 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 94.92 9.838451 -14.459246 7.9512057 1 2484 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 94.53 9.400007 -12.2122135 6.9159384 1 2485 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 94.92 10.563801 -16.486431 5.124376 1 2486 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 94.53 10.4769335 -17.920563 4.88326 1 2487 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 94.53 11.092487 -18.710548 6.0342293 1 2488 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 93.75 11.839741 -18.162075 6.849152 1 2489 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 93.36 11.166948 -18.283855 3.566433 1 2490 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 90.23 10.557843 -17.59284 2.3608692 1 2491 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 88.28 11.122271 -18.082636 1.047226 1 2492 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 85.94 10.358586 -18.624119 0.2284744 1 2493 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 85.94 12.346512 -17.93047 0.84165466 1 2494 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 94.14 10.763237 -20.006714 6.0917616 1 2495 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 94.14 11.219614 -20.864037 7.1781087 1 2496 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 94.92 12.663802 -21.299335 6.930313 1 2497 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 94.14 12.98657 -21.805138 5.8556843 1 2498 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 92.58 10.322881 -22.106415 7.3120427 1 2499 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 88.67 8.854685 -21.69112 7.4924383 1 2500 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 87.89 10.793173 -22.983585 8.472603 1 2501 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 82.81 7.8640585 -22.836746 7.346614 1 2502 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 94.53 13.506462 -21.111145 7.9329996 1 2503 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 94.14 14.8912735 -21.558334 7.847807 1 2504 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 94.14 14.992939 -23.002502 8.328979 1 2505 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 92.58 14.380003 -23.372017 9.33673 1 2506 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 93.36 15.807493 -20.660267 8.689852 1 2507 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 90.23 17.281698 -21.031784 8.600637 1 2508 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 87.89 18.143826 -20.132877 9.475865 1 2509 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 83.98 18.180243 -18.702621 8.953768 1 2510 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 80.47 19.065916 -17.83534 9.77495 1 2511 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 94.14 15.74556 -23.797707 7.614174 1 2512 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 93.75 16.019077 -25.172806 8.001015 1 2513 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 93.75 17.42242 -25.541683 7.5420036 1 2514 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 92.97 18.097168 -24.720943 6.9069433 1 2515 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 92.97 14.9831505 -26.142416 7.4064226 1 2516 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 91.8 14.897349 -26.13924 5.8824816 1 2517 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 91.41 14.48997 -27.504562 5.356541 1 2518 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 90.62 15.589327 -28.460846 5.4863763 1 2519 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 91.02 15.453575 -29.769733 5.566742 1 2520 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 88.67 14.245415 -30.311203 5.525409 1 2521 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 89.06 16.526308 -30.542042 5.6785116 1 2522 +ATOM N N . THR B0 2 109 . 109 THR B0 N 94.53 17.869097 -26.744114 7.8419642 1 2523 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 94.14 19.19685 -27.179607 7.430064 1 2524 +ATOM C C . THR B0 2 109 . 109 THR B0 C 94.92 19.247517 -27.367977 5.9177675 1 2525 +ATOM O O . THR B0 2 109 . 109 THR B0 O 94.53 18.231163 -27.659508 5.2767553 1 2526 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 93.75 19.591951 -28.491177 8.1256695 1 2527 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 91.02 18.625456 -29.50496 7.8215427 1 2528 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 89.45 19.682497 -28.309196 9.642471 1 2529 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 96.09 20.437412 -27.17892 5.3660674 1 2530 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 96.48 20.619013 -27.340897 3.9274507 1 2531 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 96.09 20.299427 -28.778559 3.5299754 1 2532 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 95.7 20.70342 -29.72556 4.212558 1 2533 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 95.7 22.05658 -26.967335 3.5011396 1 2534 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 94.14 22.280788 -27.265245 2.0274243 1 2535 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 93.75 22.334873 -25.502216 3.8010664 1 2536 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 96.88 19.566647 -28.934464 2.4439497 1 2537 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 96.88 19.213726 -30.252583 1.9223032 1 2538 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 96.88 19.440048 -30.254215 0.41408116 1 2539 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 96.48 18.860191 -29.433636 -0.30155537 1 2540 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 96.48 17.766376 -30.599527 2.247112 1 2541 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 96.88 20.294764 -31.159826 -0.047974095 1 2542 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 96.88 20.56984 -31.260977 -1.4757166 1 2543 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 96.88 19.384089 -31.89056 -2.2093596 1 2544 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 96.88 18.698254 -32.751892 -1.6562622 1 2545 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 96.88 21.833832 -32.08713 -1.7169421 1 2546 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 96.48 19.133425 -31.469723 -3.4556403 1 2547 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 96.48 18.01471 -32.053036 -4.194685 1 2548 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 96.48 18.325748 -33.45961 -4.692449 1 2549 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 95.7 19.472387 -33.77478 -5.021708 1 2550 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 96.48 17.826777 -31.09697 -5.378191 1 2551 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 95.7 19.19246 -30.552828 -5.6175327 1 2552 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 96.09 19.813725 -30.408676 -4.2377934 1 2553 +ATOM N N . SER B0 2 114 . 114 SER B0 N 96.09 17.300404 -34.29749 -4.727607 1 2554 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 95.31 17.37214 -35.549847 -5.4798365 1 2555 +ATOM C C . SER B0 2 114 . 114 SER B0 C 96.09 16.96864 -35.19934 -6.9034734 1 2556 +ATOM O O . SER B0 2 114 . 114 SER B0 O 95.7 15.923654 -34.56108 -7.113798 1 2557 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 94.53 16.429996 -36.59796 -4.888539 1 2558 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 90.62 16.767937 -36.89696 -3.5336456 1 2559 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 95.31 17.788998 -35.58332 -7.8760114 1 2560 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 95.31 17.579197 -35.171688 -9.261548 1 2561 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 94.53 17.116886 -36.356575 -10.1019535 1 2562 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 93.75 17.696442 -37.443195 -10.043341 1 2563 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 95.7 18.861332 -34.552986 -9.86529 1 2564 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 94.92 18.591255 -34.025013 -11.26889 1 2565 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 94.14 19.39088 -33.43824 -8.966043 1 2566 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 96.09 16.057505 -36.1285 -10.892622 1 2567 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 96.09 15.503194 -37.140427 -11.778537 1 2568 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 96.48 15.271041 -36.521034 -13.147652 1 2569 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 96.48 14.962804 -35.325645 -13.24543 1 2570 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 95.31 14.172526 -37.68351 -11.240261 1 2571 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 93.75 14.23119 -38.17078 -9.818802 1 2572 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 91.41 13.929733 -37.31666 -8.76987 1 2573 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 91.02 14.57663 -39.480015 -9.540258 1 2574 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 89.45 13.979417 -37.7599 -7.45697 1 2575 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 89.06 14.625759 -39.931763 -8.230982 1 2576 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 89.45 14.324768 -39.069138 -7.187763 1 2577 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 95.7 15.4167 -37.335358 -14.213243 1 2578 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 95.31 15.1455345 -36.84277 -15.562542 1 2579 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 94.92 14.171967 -37.794975 -16.249239 1 2580 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 94.53 14.248972 -39.016327 -16.085999 1 2581 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 95.7 16.44236 -36.676018 -16.394382 1 2582 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 94.14 16.153608 -35.949005 -17.71339 1 2583 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 93.75 17.128654 -38.019287 -16.619877 1 2584 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 93.36 17.41661 -35.485897 -18.451504 1 2585 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 96.48 13.213505 -37.220024 -17.000149 1 2586 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 96.48 12.190368 -38.005867 -17.680744 1 2587 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 96.48 12.2143345 -37.71385 -19.174093 1 2588 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 96.48 12.038182 -36.55307 -19.577381 1 2589 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 96.48 10.79585 -37.678368 -17.137121 1 2590 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 96.09 10.619377 -37.954784 -15.67234 1 2591 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 93.36 10.826231 -36.956573 -14.734375 1 2592 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 92.97 10.239601 -39.21099 -15.249119 1 2593 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 93.36 10.656324 -37.21381 -13.385056 1 2594 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 93.75 10.070606 -39.472816 -13.903421 1 2595 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 94.92 10.278504 -38.473396 -12.966463 1 2596 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 96.09 12.421665 -38.748978 -20.02602 1 2597 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 96.09 12.329615 -38.521828 -21.471865 1 2598 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 96.48 10.8832 -38.259865 -21.889261 1 2599 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 96.09 9.956983 -38.579544 -21.141165 1 2600 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 95.31 12.8485775 -39.836437 -22.065922 1 2601 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 93.75 13.502173 -40.56215 -20.931107 1 2602 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 94.92 12.788342 -40.095577 -19.693892 1 2603 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 96.48 10.680117 -37.68986 -23.08542 1 2604 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 96.48 9.301703 -37.52594 -23.557076 1 2605 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 96.09 8.655664 -38.888138 -23.781464 1 2606 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 95.7 9.329476 -39.854828 -24.146824 1 2607 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 96.48 9.460209 -36.75213 -24.877132 1 2608 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 95.7 10.851849 -37.031918 -25.314758 1 2609 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 96.48 11.655306 -37.16018 -24.049526 1 2610 +ATOM N N . SER B0 2 121 . 121 SER B0 N 96.09 7.3575997 -38.949867 -23.554384 1 2611 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 95.7 6.634058 -40.20266 -23.758255 1 2612 +ATOM C C . SER B0 2 121 . 121 SER B0 C 95.7 6.4305058 -40.461037 -25.24514 1 2613 +ATOM O O . SER B0 2 121 . 121 SER B0 O 95.31 6.3824577 -39.52979 -26.05861 1 2614 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 95.31 5.276157 -40.15468 -23.050827 1 2615 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 94.14 4.439849 -39.17531 -23.65657 1 2616 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 95.31 6.310191 -41.73271 -25.586119 1 2617 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 94.92 5.9992313 -42.082573 -26.97223 1 2618 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 95.31 4.66578 -41.4706 -27.3908 1 2619 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 94.53 4.50574 -41.054382 -28.541214 1 2620 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 93.36 5.9525614 -43.59969 -27.142326 1 2621 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 87.89 7.3236113 -44.243767 -27.032284 1 2622 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 85.55 8.326784 -43.562206 -27.30742 1 2623 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 83.98 7.383208 -45.437958 -26.670502 1 2624 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 96.09 3.727955 -41.39183 -26.45726 1 2625 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 96.09 2.425063 -40.816887 -26.741316 1 2626 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 96.09 2.5574903 -39.348984 -27.153019 1 2627 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 95.31 1.9231461 -38.903908 -28.111961 1 2628 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 95.31 1.5043706 -40.948532 -25.523308 1 2629 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 89.06 0.108104676 -40.381973 -25.754734 1 2630 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 85.16 -0.7855272 -40.49132 -24.53788 1 2631 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 81.64 -0.35015842 -41.078606 -23.524384 1 2632 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 80.86 -1.9286828 -39.980515 -24.582048 1 2633 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 96.88 3.3964949 -38.59126 -26.4363 1 2634 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 96.48 3.5684197 -37.18479 -26.780159 1 2635 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 96.48 4.28289 -37.032158 -28.115585 1 2636 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 96.09 3.9340897 -36.15457 -28.904001 1 2637 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 96.09 4.3400197 -36.437515 -25.689167 1 2638 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 95.31 4.424059 -34.943253 -25.991077 1 2639 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 96.09 5.3241224 -34.169834 -25.059587 1 2640 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 92.19 6.242884 -34.73994 -24.466755 1 2641 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 91.41 5.0832515 -32.87333 -24.93722 1 2642 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 96.48 5.287323 -37.866554 -28.36295 1 2643 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 96.48 6.0390873 -37.762413 -29.60659 1 2644 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 96.09 5.136855 -37.934162 -30.824253 1 2645 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 95.7 5.369616 -37.30464 -31.86079 1 2646 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 96.09 7.1694956 -38.792885 -29.635277 1 2647 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 94.53 8.328759 -38.503498 -28.686882 1 2648 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 92.97 9.303581 -39.678894 -28.664192 1 2649 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 92.19 9.038296 -37.220665 -29.093475 1 2650 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 96.48 4.102686 -38.76893 -30.71037 1 2651 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 95.7 3.1624522 -38.94468 -31.809927 1 2652 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 95.7 2.4215746 -37.66012 -32.139496 1 2653 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 94.14 1.9437482 -37.48573 -33.261963 1 2654 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 94.92 2.152332 -40.050392 -31.478558 1 2655 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 89.06 2.758066 -41.43828 -31.391747 1 2656 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 85.16 1.6921681 -42.47225 -31.04518 1 2657 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 79.69 2.301594 -43.861977 -30.92728 1 2658 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 74.22 1.2850487 -44.88031 -30.560217 1 2659 +ATOM N N . SER B0 2 127 . 127 SER B0 N 96.09 2.350433 -36.72056 -31.158468 1 2660 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 95.31 1.6657243 -35.460182 -31.370632 1 2661 +ATOM C C . SER B0 2 127 . 127 SER B0 C 95.31 2.5730932 -34.392376 -31.971287 1 2662 +ATOM O O . SER B0 2 127 . 127 SER B0 O 93.75 2.099644 -33.29609 -32.29389 1 2663 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 93.75 1.0726634 -34.95542 -30.066174 1 2664 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 89.45 2.0860825 -34.523582 -29.180603 1 2665 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 95.7 3.8710406 -34.68965 -32.138695 1 2666 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 95.7 4.7895722 -33.77881 -32.790775 1 2667 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 96.09 5.633643 -32.915024 -31.884472 1 2668 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 94.92 6.392402 -32.070644 -32.379616 1 2669 +ATOM N N . THR B0 2 129 . 129 THR B0 N 96.88 5.5423126 -33.08811 -30.57182 1 2670 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 96.88 6.3225164 -32.296616 -29.621496 1 2671 +ATOM C C . THR B0 2 129 . 129 THR B0 C 96.88 7.000623 -33.20878 -28.613731 1 2672 +ATOM O O . THR B0 2 129 . 129 THR B0 O 96.09 6.4909945 -34.29629 -28.317757 1 2673 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 95.31 5.432619 -31.279846 -28.897106 1 2674 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 89.06 4.818176 -30.416058 -29.85831 1 2675 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 87.5 6.24885 -30.428307 -27.924702 1 2676 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 97.27 8.140713 -32.751225 -28.08781 1 2677 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 97.27 8.872221 -33.506485 -27.081924 1 2678 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 97.66 9.12607 -32.616646 -25.869411 1 2679 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 96.48 9.738194 -31.550125 -25.99841 1 2680 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 96.88 10.192554 -34.02083 -27.651157 1 2681 +ATOM N N . SER B0 2 131 . 131 SER B0 N 97.66 8.653727 -33.048965 -24.69165 1 2682 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 97.66 8.924978 -32.356037 -23.440334 1 2683 +ATOM C C . SER B0 2 131 . 131 SER B0 C 97.66 9.821323 -33.23787 -22.579884 1 2684 +ATOM O O . SER B0 2 131 . 131 SER B0 O 97.27 9.469091 -34.38301 -22.29255 1 2685 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 97.27 7.628316 -32.05127 -22.691446 1 2686 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 94.53 6.8021092 -31.15969 -23.414124 1 2687 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 98.05 10.978532 -32.696617 -22.212791 1 2688 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 97.66 11.897825 -33.3965 -21.330956 1 2689 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 97.66 11.808315 -32.718216 -19.971428 1 2690 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 97.66 11.915708 -31.483866 -19.88166 1 2691 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 97.66 13.349482 -33.35062 -21.856949 1 2692 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 94.53 14.211412 -34.345848 -21.108093 1 2693 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 93.36 13.392813 -33.629425 -23.368122 1 2694 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 97.66 11.606091 -33.505394 -18.918016 1 2695 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 97.66 11.374179 -32.94415 -17.59307 1 2696 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 97.27 12.509815 -33.327477 -16.646667 1 2697 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 96.88 12.890509 -34.498222 -16.560013 1 2698 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 97.66 10.024329 -33.403904 -17.015095 1 2699 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 94.53 9.845391 -32.880814 -15.591403 1 2700 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 94.53 8.880044 -32.92528 -17.908089 1 2701 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 97.66 13.033037 -32.30921 -15.942274 1 2702 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 97.66 14.025177 -32.518974 -14.897213 1 2703 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 97.66 13.390259 -32.150555 -13.567711 1 2704 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 97.27 12.8138895 -31.064945 -13.427837 1 2705 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 97.27 15.265601 -31.660435 -15.148825 1 2706 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 94.53 16.64276 -31.978954 -14.053916 1 2707 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 97.27 13.465554 -33.05407 -12.590149 1 2708 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 97.27 12.868912 -32.85584 -11.273764 1 2709 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 97.27 13.963525 -32.725838 -10.219057 1 2710 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 97.27 14.847345 -33.58577 -10.127134 1 2711 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 97.27 11.9466095 -34.02897 -10.928953 1 2712 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 96.48 11.465813 -34.11719 -9.469523 1 2713 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 93.75 10.742113 -35.440907 -9.234205 1 2714 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 94.14 10.5684185 -32.942047 -9.110576 1 2715 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 97.66 13.897876 -31.634354 -9.442461 1 2716 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 97.66 14.763346 -31.445866 -8.280537 1 2717 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 97.27 13.866201 -31.561726 -7.062476 1 2718 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 96.88 12.9925785 -30.710344 -6.8540196 1 2719 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 97.66 15.417383 -30.0626 -8.312429 1 2720 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 97.27 16.54615 -29.789059 -9.30337 1 2721 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 95.7 16.098446 -29.915813 -10.737913 1 2722 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 94.92 17.14521 -28.414047 -9.046072 1 2723 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 97.66 14.055279 -32.61521 -6.2797937 1 2724 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 96.88 13.1016 -32.926376 -5.223277 1 2725 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 97.27 13.647703 -32.6522 -3.8266544 1 2726 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 96.88 14.767206 -33.053703 -3.488315 1 2727 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 96.48 12.679914 -34.393932 -5.3220987 1 2728 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 93.36 11.302959 -34.653847 -4.7611904 1 2729 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 88.28 10.348152 -33.938076 -5.0857573 1 2730 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 87.89 11.175879 -35.67054 -3.9529953 1 2731 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 96.88 12.835358 -31.964039 -3.0146575 1 2732 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 97.27 13.012894 -31.795265 -1.5741634 1 2733 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 97.27 14.37956 -31.212519 -1.2208226 1 2734 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 96.88 15.20619 -31.85199 -0.56560445 1 2735 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 96.48 12.786467 -33.120384 -0.84891737 1 2736 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 94.92 11.371616 -33.62931 -1.0106008 1 2737 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 89.45 10.471241 -32.894966 -1.4105214 1 2738 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 88.28 11.153749 -34.902676 -0.6969976 1 2739 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 96.88 14.603048 -29.946865 -1.6023988 1 2740 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 97.27 15.863625 -29.276981 -1.3151292 1 2741 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 97.27 15.659924 -27.98057 -0.54036283 1 2742 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 96.88 14.548157 -27.46074 -0.45065206 1 2743 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 97.66 16.64996 -29.00056 -2.6019943 1 2744 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 97.66 15.920775 -28.129553 -3.5953002 1 2745 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 95.31 15.091969 -28.689718 -4.5587025 1 2746 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 94.92 16.091244 -26.753138 -3.577845 1 2747 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 95.31 14.43893 -27.877232 -5.4801393 1 2748 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 95.31 15.443301 -25.94651 -4.4947453 1 2749 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 97.27 14.616294 -26.508629 -5.448498 1 2750 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 96.88 16.730524 -27.478104 0.040066596 1 2751 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 96.88 16.77695 -26.205082 0.7611176 1 2752 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 96.88 18.213966 -25.728777 0.80099285 1 2753 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 96.48 19.113811 -26.51835 1.0425785 1 2754 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 96.09 16.220697 -26.346687 2.184247 1 2755 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 95.7 16.116066 -25.010696 2.8879447 1 2756 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 94.53 17.21716 -24.477034 3.5623875 1 2757 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 93.75 14.953634 -24.251925 2.8247657 1 2758 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 92.97 17.14663 -23.234295 4.159156 1 2759 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 92.97 14.879181 -23.00748 3.422165 1 2760 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 93.36 15.973872 -22.50207 4.0812325 1 2761 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 92.58 15.912228 -21.272451 4.6525774 1 2762 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 95.7 18.471024 -24.425611 0.57352424 1 2763 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 95.31 17.548365 -23.330656 0.2977697 1 2764 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 95.7 16.9846 -23.344685 -1.1179259 1 2765 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 95.7 17.320608 -24.21681 -1.9111829 1 2766 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 94.92 18.42434 -22.09141 0.52302814 1 2767 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 93.36 19.796246 -22.546919 0.18349844 1 2768 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 93.75 19.862411 -23.972406 0.665988 1 2769 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 95.7 16.115582 -22.38918 -1.4094982 1 2770 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 95.31 15.35849 -22.362694 -2.6509285 1 2771 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 95.7 16.227734 -22.138924 -3.8830333 1 2772 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 95.31 15.912637 -22.621256 -4.9714255 1 2773 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 93.75 14.284564 -21.275888 -2.5696106 1 2774 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 90.23 13.291567 -21.268482 -3.715784 1 2775 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 87.89 12.2478285 -20.200077 -3.4645743 1 2776 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 84.77 11.104017 -20.285583 -4.363172 1 2777 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 82.03 11.041889 -19.691914 -5.5491095 1 2778 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 79.69 12.067179 -18.968204 -5.978527 1 2779 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 80.08 9.963861 -19.82967 -6.3042803 1 2780 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 95.7 17.351059 -21.404213 -3.7068272 1 2781 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 95.31 18.213205 -21.057217 -4.8310184 1 2782 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 95.7 18.840694 -22.309296 -5.4367733 1 2783 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 95.31 19.517096 -23.067692 -4.747075 1 2784 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 93.75 19.309845 -20.084663 -4.3939714 1 2785 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 87.5 18.805695 -18.689896 -4.0496902 1 2786 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 83.59 18.063187 -18.617214 -2.7366614 1 2787 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 79.69 17.20085 -17.725342 -2.5926132 1 2788 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 79.69 18.327824 -19.448246 -1.8399501 1 2789 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 96.88 18.582941 -22.523815 -6.7067857 1 2790 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 96.88 19.13351 -23.665794 -7.441312 1 2791 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 96.88 19.279945 -23.269878 -8.896666 1 2792 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 96.09 18.533548 -22.43377 -9.402735 1 2793 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 96.88 18.24419 -24.897171 -7.315486 1 2794 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 97.66 20.275757 -23.869247 -9.5581665 1 2795 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 98.05 20.52079 -23.57887 -10.963311 1 2796 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 98.05 20.357306 -24.852448 -11.781037 1 2797 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 97.27 20.948261 -25.879574 -11.449931 1 2798 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 97.27 21.930279 -22.998209 -11.155716 1 2799 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 91.8 22.283297 -22.655745 -12.591805 1 2800 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 87.89 23.710659 -22.11318 -12.66767 1 2801 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 82.42 24.106735 -21.786287 -14.101324 1 2802 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 76.95 25.499897 -21.296051 -14.168411 1 2803 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 98.05 19.526695 -24.770672 -12.827673 1 2804 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 98.05 19.305717 -25.903046 -13.724432 1 2805 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 97.66 19.745365 -25.501308 -15.126833 1 2806 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 97.66 19.288868 -24.483047 -15.657601 1 2807 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 97.66 17.82529 -26.3359 -13.745351 1 2808 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 94.53 17.631557 -27.493954 -14.730443 1 2809 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 93.75 17.367844 -26.73867 -12.347826 1 2810 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 98.05 20.64376 -26.291466 -15.702589 1 2811 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 98.05 21.096426 -26.047611 -17.063969 1 2812 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 98.05 20.817163 -27.278997 -17.916466 1 2813 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 97.66 21.106743 -28.404783 -17.501186 1 2814 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 97.27 22.586376 -25.712486 -17.10347 1 2815 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 89.06 22.942131 -24.379225 -16.487228 1 2816 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 86.33 24.3858 -23.98362 -16.772076 1 2817 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 81.25 24.669338 -23.220276 -17.680477 1 2818 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 79.3 25.303154 -24.52982 -15.991031 1 2819 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 98.05 20.259182 -27.051079 -19.099613 1 2820 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 98.05 19.986458 -28.125206 -20.035637 1 2821 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 97.66 21.09948 -28.201828 -21.084839 1 2822 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 97.27 21.553818 -27.169735 -21.595148 1 2823 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 97.66 18.640657 -27.91005 -20.741684 1 2824 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 97.66 17.45258 -28.249275 -19.90739 1 2825 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 96.88 16.650047 -27.381088 -19.240353 1 2826 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 97.66 16.913656 -29.551115 -19.673153 1 2827 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 96.48 15.643909 -28.05762 -18.597588 1 2828 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 97.27 15.781206 -29.390806 -18.845272 1 2829 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 97.66 17.278988 -30.83804 -20.080208 1 2830 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 97.27 15.014093 -30.472767 -18.421484 1 2831 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 97.27 16.517595 -31.909634 -19.661797 1 2832 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 97.27 15.398838 -31.719446 -18.839317 1 2833 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 97.66 21.517227 -29.402424 -21.382818 1 2834 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 97.66 22.512875 -29.632595 -22.426971 1 2835 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 98.05 22.01289 -30.723255 -23.364628 1 2836 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 97.27 21.568914 -31.78029 -22.915264 1 2837 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 97.27 23.866993 -30.02171 -21.823677 1 2838 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 94.14 24.523687 -28.904276 -21.025082 1 2839 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 91.41 25.871895 -29.359373 -20.458797 1 2840 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 86.33 26.520546 -28.229286 -19.6753 1 2841 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 82.03 27.805145 -28.659485 -19.073341 1 2842 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 97.27 22.090057 -30.44816 -24.667927 1 2843 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 97.27 21.704767 -31.414991 -25.69644 1 2844 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 97.27 22.947906 -31.694168 -26.537083 1 2845 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 96.88 23.464735 -30.791542 -27.199924 1 2846 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 97.27 20.55783 -30.873795 -26.572308 1 2847 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 94.92 20.20816 -31.884289 -27.657066 1 2848 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 94.14 19.335052 -30.552288 -25.712355 1 2849 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 96.88 23.427856 -32.93933 -26.494183 1 2850 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 96.48 24.706295 -33.30389 -27.104485 1 2851 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 96.48 25.791656 -32.327503 -26.662086 1 2852 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 95.7 26.58586 -31.828365 -27.464375 1 2853 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 96.48 24.597797 -33.354034 -28.636284 1 2854 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 96.09 23.801197 -34.552605 -29.124428 1 2855 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 93.75 23.654642 -35.534466 -28.363869 1 2856 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 93.36 23.31092 -34.520363 -30.27509 1 2857 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 96.48 25.784628 -32.022324 -25.367393 1 2858 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 96.09 26.743118 -31.157394 -24.683182 1 2859 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 96.48 26.638042 -29.682903 -25.07198 1 2860 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 95.31 27.495842 -28.87683 -24.684196 1 2861 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 94.92 28.17633 -31.661167 -24.89185 1 2862 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 89.45 29.103088 -31.224571 -23.772507 1 2863 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 84.38 28.698227 -31.168556 -22.611204 1 2864 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 82.42 30.346775 -30.917437 -24.108839 1 2865 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 97.27 25.615158 -29.309933 -25.81565 1 2866 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 96.88 25.396154 -27.913235 -26.177383 1 2867 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 97.27 24.412605 -27.28643 -25.18385 1 2868 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 96.88 23.295418 -27.773909 -25.005898 1 2869 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 96.09 24.869852 -27.7944 -27.5966 1 2870 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 96.88 24.83114 -26.180908 -24.533386 1 2871 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 96.88 23.992662 -25.511395 -23.547771 1 2872 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 97.27 22.744385 -24.931604 -24.21023 1 2873 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 96.48 22.84108 -24.25632 -25.24788 1 2874 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 96.48 24.788555 -24.402254 -22.856743 1 2875 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 92.19 24.067333 -23.623512 -21.756855 1 2876 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 89.84 24.93738 -22.46532 -21.284325 1 2877 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 89.06 23.72512 -24.54567 -20.59349 1 2878 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 96.48 21.6058 -25.180693 -23.600874 1 2879 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 96.48 20.339504 -24.68781 -24.13428 1 2880 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 96.09 19.96008 -23.367474 -23.492752 1 2881 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 95.31 20.33871 -23.08388 -22.346792 1 2882 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 96.09 19.21912 -25.699238 -23.885883 1 2883 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 95.31 19.516874 -27.066153 -24.46416 1 2884 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 95.31 19.615976 -27.044296 -25.972647 1 2885 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 91.41 18.656086 -26.74363 -26.656612 1 2886 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 90.62 20.796772 -27.317448 -26.506344 1 2887 +ATOM N N . SER B0 2 156 . 156 SER B0 N 95.31 19.22353 -22.548725 -24.238083 1 2888 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 94.53 18.702051 -21.306717 -23.694685 1 2889 +ATOM C C . SER B0 2 156 . 156 SER B0 C 94.53 17.40646 -20.94197 -24.407959 1 2890 +ATOM O O . SER B0 2 156 . 156 SER B0 O 92.58 17.281345 -21.150635 -25.617962 1 2891 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 92.58 19.724655 -20.172363 -23.83028 1 2892 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 87.5 19.993565 -19.883 -25.182953 1 2893 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 94.53 16.453577 -20.420918 -23.657871 1 2894 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 94.14 15.2013855 -19.945826 -24.216095 1 2895 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 94.92 14.170893 -21.00531 -24.523521 1 2896 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 93.36 13.087578 -20.666977 -25.017136 1 2897 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 96.09 14.467943 -22.254856 -24.240757 1 2898 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 95.7 13.52318 -23.324066 -24.55943 1 2899 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 96.48 13.142948 -24.17369 -23.352417 1 2900 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 95.7 12.7120075 -25.32455 -23.514755 1 2901 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 94.92 14.0643425 -24.21386 -25.68827 1 2902 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 94.92 15.451296 -24.762363 -25.406773 1 2903 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 92.19 16.052816 -24.481934 -24.361988 1 2904 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 91.41 15.985985 -25.543182 -26.335545 1 2905 +ATOM N N . SER B0 2 159 . 159 SER B0 N 97.27 13.275184 -23.608858 -22.169529 1 2906 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 97.27 12.867037 -24.32201 -20.967945 1 2907 +ATOM C C . SER B0 2 159 . 159 SER B0 C 97.27 12.1527195 -23.384144 -20.008995 1 2908 +ATOM O O . SER B0 2 159 . 159 SER B0 O 96.48 12.34535 -22.160471 -20.054585 1 2909 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 96.48 14.073038 -24.971455 -20.27454 1 2910 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 94.92 14.996002 -24.001913 -19.831722 1 2911 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 97.27 11.318796 -23.95342 -19.162863 1 2912 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 97.27 10.6006365 -23.18997 -18.149485 1 2913 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 97.66 10.646215 -23.930862 -16.819752 1 2914 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 97.27 10.561033 -25.158842 -16.787998 1 2915 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 96.48 9.1428795 -22.957726 -18.559967 1 2916 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 92.19 8.975498 -22.003162 -19.723137 1 2917 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 91.8 7.5202584 -21.681072 -19.989761 1 2918 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 86.72 6.785121 -22.502964 -20.525127 1 2919 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 85.94 7.093417 -20.49126 -19.587181 1 2920 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 97.66 10.769241 -23.156132 -15.722288 1 2921 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 97.27 10.8342905 -23.725063 -14.382929 1 2922 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 97.27 9.582194 -23.393473 -13.578535 1 2923 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 96.88 8.934408 -22.376389 -13.803011 1 2924 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 96.09 12.053822 -23.184208 -13.62175 1 2925 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 94.53 13.38437 -23.681013 -14.145288 1 2926 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 95.7 14.555196 -23.198212 -13.308859 1 2927 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 93.75 15.701391 -23.596664 -13.595621 1 2928 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 94.14 14.340685 -22.419508 -12.35209 1 2929 +ATOM N N . SER B0 2 162 . 162 SER B0 N 97.27 9.278924 -24.272425 -12.639594 1 2930 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 97.27 8.207055 -24.040451 -11.67918 1 2931 +ATOM C C . SER B0 2 162 . 162 SER B0 C 97.27 8.663658 -24.592022 -10.332127 1 2932 +ATOM O O . SER B0 2 162 . 162 SER B0 O 97.27 9.267615 -25.666618 -10.276 1 2933 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 96.48 6.917156 -24.722694 -12.133275 1 2934 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 94.92 5.8481483 -24.453964 -11.24069 1 2935 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 95.7 8.389062 -23.843044 -9.258854 1 2936 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 95.7 8.823626 -24.23852 -7.923686 1 2937 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 95.7 7.6198025 -24.297188 -6.9948387 1 2938 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 95.31 6.7506895 -23.422653 -7.03169 1 2939 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 95.31 9.872089 -23.256523 -7.3561873 1 2940 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 93.75 10.456589 -23.781185 -6.055681 1 2941 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 92.97 10.983541 -23.018202 -8.371425 1 2942 +ATOM N N . THR B0 2 164 . 164 THR B0 N 94.92 7.592206 -25.305645 -6.134358 1 2943 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 95.31 6.526497 -25.415493 -5.1478553 1 2944 +ATOM C C . THR B0 2 164 . 164 THR B0 C 94.53 6.744745 -24.42247 -4.0098624 1 2945 +ATOM O O . THR B0 2 164 . 164 THR B0 O 94.14 7.8503733 -23.901323 -3.820382 1 2946 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 95.7 6.4651637 -26.835653 -4.5450826 1 2947 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 95.7 7.7288384 -27.142689 -3.939672 1 2948 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 94.92 6.1425653 -27.875246 -5.6058884 1 2949 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 93.75 5.686465 -24.154837 -3.240528 1 2950 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 93.36 5.8300276 -23.445494 -1.9821703 1 2951 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 94.53 6.557055 -24.353252 -0.9968927 1 2952 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 94.14 6.652878 -25.564505 -1.2103574 1 2953 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 91.41 4.459039 -23.054865 -1.4270692 1 2954 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 85.16 3.6646886 -22.08929 -2.3140721 1 2955 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 80.47 4.291049 -20.716578 -2.3846254 1 2956 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 76.17 4.1031017 -20.03614 -3.406509 1 2957 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 74.61 4.979642 -20.312948 -1.4129694 1 2958 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 92.97 7.080743 -23.755405 0.06711715 1 2959 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 92.97 7.761944 -24.56401 1.0766621 1 2960 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 92.19 6.8388333 -25.652853 1.6026115 1 2961 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 91.41 5.670973 -25.398033 1.9134624 1 2962 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 92.97 8.24221 -23.706297 2.2443748 1 2963 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 92.58 9.588615 -23.05986 2.0337744 1 2964 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 92.58 10.123468 -22.446463 3.3062172 1 2965 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 89.84 9.54669 -21.497118 3.8307781 1 2966 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 89.45 11.204096 -22.998316 3.8310385 1 2967 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 92.97 7.365239 -26.86602 1.6978697 1 2968 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 92.58 6.581897 -27.990555 2.209051 1 2969 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 92.58 6.1683383 -27.727726 3.6507196 1 2970 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 91.41 6.971045 -27.246365 4.461698 1 2971 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 91.8 7.3964825 -29.277504 2.119442 1 2972 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 91.41 6.601844 -30.504347 2.5085926 1 2973 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 90.23 6.636583 -30.899849 3.6925082 1 2974 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 88.67 5.9401054 -31.071903 1.6184585 1 2975 +ATOM N N . SER B0 2 168 . 168 SER B0 N 88.67 4.9166493 -28.007488 3.9769983 1 2976 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 87.5 4.386405 -27.724981 5.3018756 1 2977 +ATOM C C . SER B0 2 168 . 168 SER B0 C 88.28 5.001052 -28.599785 6.3867416 1 2978 +ATOM O O . SER B0 2 168 . 168 SER B0 O 86.72 4.9184103 -28.257088 7.5672297 1 2979 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 85.55 2.8659492 -27.9011 5.306049 1 2980 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 82.03 2.507276 -29.231197 5.003692 1 2981 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 90.23 5.6063285 -29.726465 6.0144997 1 2982 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 89.45 6.1659102 -30.654156 6.9967203 1 2983 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 89.84 7.6792135 -30.526062 7.138546 1 2984 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 87.89 8.174998 -30.40657 8.253944 1 2985 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 87.11 5.8017006 -32.09494 6.6354685 1 2986 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 82.42 4.3175983 -32.41084 6.7582607 1 2987 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 77.34 4.0313315 -33.8767 6.4792976 1 2988 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 73.05 2.5586905 -34.21256 6.6707487 1 2989 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 67.19 1.6827887 -33.514946 5.707012 1 2990 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 93.36 8.413092 -30.534595 6.012128 1 2991 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 92.97 9.86708 -30.509468 6.1087604 1 2992 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 92.97 10.502279 -29.214832 5.6157746 1 2993 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 92.19 11.730751 -29.094852 5.635476 1 2994 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 92.19 10.483759 -31.717445 5.3886795 1 2995 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 91.8 10.274037 -31.706078 3.8842337 1 2996 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 90.62 9.842432 -30.673473 3.3357043 1 2997 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 89.06 10.557017 -32.748543 3.2495124 1 2998 +ATOM N N . SER B0 2 171 . 171 SER B0 N 93.75 9.701471 -28.24002 5.2027164 1 2999 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 93.75 10.156372 -26.911144 4.8027177 1 3000 +ATOM C C . SER B0 2 171 . 171 SER B0 C 94.92 11.085407 -26.91224 3.5891294 1 3001 +ATOM O O . SER B0 2 171 . 171 SER B0 O 94.53 11.852989 -25.96248 3.392009 1 3002 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 92.97 10.825231 -26.179901 5.9766607 1 3003 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 90.62 9.951941 -26.094763 7.0900497 1 3004 +ATOM N N . THR B0 2 172 . 172 THR B0 N 95.7 11.028677 -27.948444 2.766295 1 3005 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 96.09 11.843802 -28.010416 1.553924 1 3006 +ATOM C C . THR B0 2 172 . 172 THR B0 C 96.09 11.062164 -27.503887 0.34597686 1 3007 +ATOM O O . THR B0 2 172 . 172 THR B0 O 95.7 9.843891 -27.296284 0.40520534 1 3008 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 96.88 12.332892 -29.442204 1.2639788 1 3009 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 96.09 11.20158 -30.289436 1.0390759 1 3010 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 95.31 13.18524 -29.981781 2.3992734 1 3011 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 96.88 11.789238 -27.326458 -0.7553178 1 3012 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 96.88 11.217903 -26.959757 -2.041809 1 3013 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 97.27 11.425621 -28.088758 -3.0386465 1 3014 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 96.88 12.319857 -28.91761 -2.879481 1 3015 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 96.48 11.879209 -25.690067 -2.6006057 1 3016 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 96.48 11.739501 -24.47001 -1.7257862 1 3017 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 95.31 12.709321 -24.158747 -0.77605236 1 3018 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 94.92 10.654545 -23.620089 -1.8583564 1 3019 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 93.75 12.588522 -23.039886 0.021924756 1 3020 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 94.14 10.526285 -22.495325 -1.0649967 1 3021 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 94.53 11.499535 -22.210314 -0.12699947 1 3022 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 93.75 11.384035 -21.106483 0.66167134 1 3023 +ATOM N N . SER B0 2 174 . 174 SER B0 N 97.66 10.601004 -28.092245 -4.0614114 1 3024 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 98.05 10.832315 -28.949574 -5.2248573 1 3025 +ATOM C C . SER B0 2 174 . 174 SER B0 C 97.66 10.683869 -28.096273 -6.477769 1 3026 +ATOM O O . SER B0 2 174 . 174 SER B0 O 97.66 9.934559 -27.113714 -6.4855227 1 3027 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 97.66 9.855162 -30.127516 -5.2486863 1 3028 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 96.48 10.104719 -31.014557 -4.161528 1 3029 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 98.05 11.417001 -28.470358 -7.523423 1 3030 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 98.44 11.4514885 -27.67163 -8.741381 1 3031 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 98.05 11.359663 -28.575005 -9.961416 1 3032 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 98.05 11.964596 -29.654364 -9.983364 1 3033 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 98.05 12.746301 -26.850662 -8.791021 1 3034 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 97.66 13.0225115 -25.94072 -9.986063 1 3035 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 95.7 13.899328 -24.764914 -9.559375 1 3036 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 94.92 13.677237 -26.69185 -11.144651 1 3037 +ATOM N N . SER B0 2 176 . 176 SER B0 N 98.44 10.589333 -28.130491 -10.949333 1 3038 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 98.44 10.54581 -28.813812 -12.231962 1 3039 +ATOM C C . SER B0 2 176 . 176 SER B0 C 98.44 11.089502 -27.882307 -13.304184 1 3040 +ATOM O O . SER B0 2 176 . 176 SER B0 O 98.05 10.859965 -26.669483 -13.276634 1 3041 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 97.27 9.119915 -29.239029 -12.593897 1 3042 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 95.7 8.346037 -28.128586 -12.994629 1 3043 +ATOM N N . SER B0 2 177 . 177 SER B0 N 98.44 11.850145 -28.448467 -14.22279 1 3044 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 98.05 12.304272 -27.718538 -15.404614 1 3045 +ATOM C C . SER B0 2 177 . 177 SER B0 C 98.05 11.911784 -28.539906 -16.622684 1 3046 +ATOM O O . SER B0 2 177 . 177 SER B0 O 98.05 12.228748 -29.729553 -16.693361 1 3047 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 98.44 13.81682 -27.492683 -15.372343 1 3048 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 96.09 14.246434 -26.771458 -16.523657 1 3049 +ATOM N N . THR B0 2 178 . 178 THR B0 N 98.44 11.208754 -27.902164 -17.548595 1 3050 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 98.44 10.73456 -28.606289 -18.734335 1 3051 +ATOM C C . THR B0 2 178 . 178 THR B0 C 98.05 11.387481 -28.023466 -19.98233 1 3052 +ATOM O O . THR B0 2 178 . 178 THR B0 O 97.66 11.2427635 -26.833769 -20.26931 1 3053 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 97.66 9.203142 -28.519194 -18.86177 1 3054 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 94.14 8.604115 -29.069595 -17.686806 1 3055 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 94.92 8.715221 -29.300476 -20.081491 1 3056 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 98.05 12.118193 -28.882122 -20.68985 1 3057 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 98.05 12.724159 -28.522503 -21.968058 1 3058 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 98.05 11.768087 -28.938892 -23.07894 1 3059 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 97.27 11.343398 -30.097878 -23.122551 1 3060 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 98.05 14.069649 -29.23705 -22.140759 1 3061 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 97.27 14.80685 -29.031836 -23.472307 1 3062 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 94.14 15.910876 -30.083418 -23.627253 1 3063 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 92.97 15.380811 -27.631123 -23.54588 1 3064 +ATOM N N . THR B0 2 180 . 180 THR B0 N 98.05 11.411982 -27.996367 -23.956104 1 3065 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 97.66 10.455696 -28.302074 -25.016037 1 3066 +ATOM C C . THR B0 2 180 . 180 THR B0 C 97.66 11.1089735 -28.162355 -26.388004 1 3067 +ATOM O O . THR B0 2 180 . 180 THR B0 O 96.88 11.713085 -27.130909 -26.696796 1 3068 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 96.88 9.224461 -27.384747 -24.92868 1 3069 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 91.02 8.604855 -27.549057 -23.650982 1 3070 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 89.84 8.217873 -27.71886 -26.023422 1 3071 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 97.27 10.983091 -29.216553 -27.199266 1 3072 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 96.88 11.495029 -29.23999 -28.567905 1 3073 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 96.88 10.435078 -29.828892 -29.48655 1 3074 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 96.09 9.542247 -30.548605 -29.032682 1 3075 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 96.48 12.760829 -30.098972 -28.668953 1 3076 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 93.75 13.9542055 -29.740559 -27.801582 1 3077 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 91.41 15.015488 -30.834667 -27.909914 1 3078 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 90.62 14.522801 -28.39642 -28.202969 1 3079 +ATOM N N . SER B0 2 182 . 182 SER B0 N 97.27 10.554809 -29.518215 -30.775414 1 3080 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 96.48 9.714781 -30.216274 -31.739456 1 3081 +ATOM C C . SER B0 2 182 . 182 SER B0 C 96.88 10.183493 -31.665405 -31.824118 1 3082 +ATOM O O . SER B0 2 182 . 182 SER B0 O 96.48 11.329494 -31.979633 -31.489342 1 3083 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 95.7 9.798953 -29.553545 -33.11699 1 3084 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 93.75 11.091896 -29.7312 -33.674595 1 3085 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 96.48 9.31469 -32.55105 -32.26813 1 3086 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 96.48 9.705826 -33.94829 -32.43066 1 3087 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 96.48 10.902475 -34.06653 -33.36686 1 3088 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 96.09 11.83877 -34.82187 -33.10901 1 3089 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 96.09 8.537987 -34.78212 -32.958435 1 3090 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 94.14 8.90222 -36.228256 -33.264503 1 3091 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 92.58 7.7302594 -36.9738 -33.895786 1 3092 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 89.45 8.1230955 -38.405144 -34.26045 1 3093 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 85.55 6.9911485 -39.13883 -34.885815 1 3094 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 96.48 10.873907 -33.288353 -34.458923 1 3095 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 96.09 11.955431 -33.338646 -35.44104 1 3096 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 96.09 13.292328 -32.937733 -34.82177 1 3097 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 95.7 14.306997 -33.602257 -35.035427 1 3098 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 96.09 11.630322 -32.439125 -36.62645 1 3099 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 96.88 13.29302 -31.844063 -34.043983 1 3100 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 96.48 14.533442 -31.407574 -33.397255 1 3101 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 96.88 14.973728 -32.413315 -32.34007 1 3102 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 96.48 16.173615 -32.660934 -32.193462 1 3103 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 95.7 14.349058 -30.02705 -32.76924 1 3104 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 91.8 14.378429 -28.907528 -33.79651 1 3105 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 89.45 14.818256 -29.159594 -34.941833 1 3106 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 87.89 13.955606 -27.782932 -33.454857 1 3107 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 96.88 14.02828 -32.96463 -31.597736 1 3108 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 96.88 14.357026 -33.950676 -30.569744 1 3109 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 96.48 15.062614 -35.160416 -31.174547 1 3110 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 96.09 16.02533 -35.685093 -30.603464 1 3111 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 96.88 13.085988 -34.379135 -29.832327 1 3112 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 96.48 13.314451 -35.501995 -28.839119 1 3113 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 94.53 12.822246 -36.782394 -29.087637 1 3114 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 94.14 14.00589 -35.27098 -27.65722 1 3115 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 93.36 13.021376 -37.800247 -28.180904 1 3116 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 94.53 14.210581 -36.294918 -26.744099 1 3117 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 95.7 13.716309 -37.558384 -27.011501 1 3118 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 95.31 13.915877 -38.569054 -26.115025 1 3119 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 96.88 14.598793 -35.593613 -32.34151 1 3120 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 96.09 15.148297 -36.787727 -32.976555 1 3121 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 96.48 16.477646 -36.535027 -33.69158 1 3122 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 95.7 17.084564 -37.475243 -34.19922 1 3123 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 95.7 14.123543 -37.382515 -33.947468 1 3124 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 92.58 12.913388 -37.95301 -33.213356 1 3125 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 90.23 11.891621 -38.5936 -34.12616 1 3126 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 87.11 11.050991 -39.36534 -33.630024 1 3127 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 86.72 11.9145355 -38.309666 -35.349945 1 3128 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 96.09 16.929565 -35.28854 -33.740257 1 3129 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 95.7 18.22374 -34.961983 -34.337 1 3130 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 96.09 19.379932 -35.12612 -33.365517 1 3131 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 94.53 20.542221 -35.064606 -33.773857 1 3132 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 95.31 18.220459 -33.525406 -34.873077 1 3133 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 92.19 17.316128 -33.307724 -36.07353 1 3134 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 89.06 17.35427 -31.84681 -36.50421 1 3135 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 84.77 16.425848 -31.61599 -37.683372 1 3136 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 80.08 16.370195 -30.182686 -38.051926 1 3137 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 96.48 19.082348 -35.29743 -32.080795 1 3138 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 96.48 20.126719 -35.345924 -31.061218 1 3139 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 96.48 20.022673 -36.62539 -30.250048 1 3140 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 95.7 18.994568 -37.30641 -30.24628 1 3141 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 96.09 20.034515 -34.116238 -30.152687 1 3142 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 95.7 20.067017 -32.83347 -30.917395 1 3143 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 89.06 21.24474 -32.302742 -31.40827 1 3144 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 87.89 19.081406 -31.989815 -31.292667 1 3145 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 89.45 20.969812 -31.188099 -32.052933 1 3146 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 90.23 19.664448 -30.96888 -31.998663 1 3147 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 96.09 21.094383 -36.926914 -29.502344 1 3148 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 96.09 21.17601 -38.17714 -28.76117 1 3149 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 96.48 21.155518 -37.986275 -27.243614 1 3150 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 95.7 20.299118 -38.55873 -26.566128 1 3151 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 94.92 22.441532 -38.94518 -29.15385 1 3152 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 91.41 22.62738 -40.25167 -28.377443 1 3153 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 87.89 23.91529 -40.95093 -28.806618 1 3154 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 83.98 24.145142 -42.216255 -27.964882 1 3155 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 80.08 25.411549 -42.880394 -28.334225 1 3156 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 96.88 22.077469 -37.181213 -26.702085 1 3157 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 96.88 22.240318 -37.071247 -25.260267 1 3158 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 97.27 21.490337 -35.85239 -24.719385 1 3159 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 96.88 21.73786 -34.71874 -25.148178 1 3160 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 96.48 23.733547 -36.993282 -24.866385 1 3161 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 93.75 23.87772 -36.954514 -23.353779 1 3162 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 92.97 24.505436 -38.171516 -25.451576 1 3163 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 96.88 20.600315 -36.099754 -23.786396 1 3164 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 96.88 19.8439 -35.044567 -23.115036 1 3165 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 96.48 20.236805 -35.042534 -21.648956 1 3166 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 96.09 20.092983 -36.057266 -20.96584 1 3167 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 97.27 18.336817 -35.26146 -23.294798 1 3168 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 96.88 17.907612 -35.023064 -24.721516 1 3169 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 95.31 18.041441 -36.02311 -25.675482 1 3170 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 94.92 17.432667 -33.78487 -25.128033 1 3171 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 94.92 17.6946 -35.7956 -26.99776 1 3172 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 94.92 17.081512 -33.55052 -26.447012 1 3173 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 96.09 17.217007 -34.56295 -27.37607 1 3174 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 96.09 16.887117 -34.327785 -28.682894 1 3175 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 97.27 20.727251 -33.89321 -21.17166 1 3176 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 97.27 21.255901 -33.815414 -19.820475 1 3177 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 97.66 20.719997 -32.59649 -19.077908 1 3178 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 96.88 20.54684 -31.521992 -19.659248 1 3179 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 96.88 22.780888 -33.785606 -19.842026 1 3180 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 97.66 20.434044 -32.79121 -17.785522 1 3181 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 97.27 20.027082 -31.733936 -16.871498 1 3182 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 97.27 21.120296 -31.615578 -15.815811 1 3183 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 96.88 21.388645 -32.57524 -15.0869055 1 3184 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 96.48 18.693127 -32.085228 -16.236519 1 3185 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 93.36 18.145302 -30.977629 -14.950186 1 3186 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 97.66 21.782093 -30.427935 -15.723328 1 3187 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 97.66 22.854855 -30.206652 -14.760774 1 3188 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 98.05 22.35498 -29.298515 -13.645232 1 3189 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 97.66 21.844814 -28.201332 -13.90449 1 3190 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 97.27 24.074593 -29.57971 -15.444638 1 3191 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 93.75 25.264732 -29.398624 -14.522033 1 3192 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 92.58 26.42335 -28.702637 -15.206919 1 3193 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 89.06 27.435802 -29.371658 -15.508625 1 3194 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 88.28 26.301542 -27.484837 -15.45718 1 3195 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 97.66 22.505451 -29.742203 -12.415297 1 3196 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 97.66 21.959572 -29.042967 -11.259805 1 3197 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 97.66 23.08495 -28.556824 -10.347453 1 3198 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 97.27 23.96908 -29.329275 -9.969551 1 3199 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 97.66 20.998772 -29.950678 -10.469386 1 3200 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 93.75 20.5268 -29.254843 -9.195289 1 3201 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 93.75 19.812172 -30.341393 -11.341 1 3202 +ATOM N N . THR B0 2 197 . 197 THR B0 N 98.05 23.005508 -27.25615 -9.997562 1 3203 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 97.66 23.915316 -26.659496 -9.035854 1 3204 +ATOM C C . THR B0 2 197 . 197 THR B0 C 98.05 23.098166 -26.204199 -7.8292913 1 3205 +ATOM O O . THR B0 2 197 . 197 THR B0 O 97.27 22.070763 -25.54617 -7.9883556 1 3206 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 96.88 24.673513 -25.469627 -9.647995 1 3207 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 93.75 25.380955 -25.912777 -10.810158 1 3208 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 92.58 25.64705 -24.86524 -8.656708 1 3209 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 97.27 23.560316 -26.544113 -6.6367536 1 3210 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 97.27 22.85089 -26.203554 -5.403749 1 3211 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 97.27 23.842434 -26.18239 -4.2473745 1 3212 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 96.48 24.840881 -26.908596 -4.2635746 1 3213 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 96.88 21.723793 -27.19486 -5.1249924 1 3214 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 97.66 20.892296 -26.842037 -3.9413934 1 3215 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 92.19 21.097614 -27.39703 -2.6918306 1 3216 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 92.19 19.850239 -25.98602 -3.8125587 1 3217 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 92.97 20.220558 -26.880066 -1.8500339 1 3218 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 93.36 19.450018 -26.025362 -2.4989495 1 3219 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 97.27 23.555132 -25.349411 -3.250479 1 3220 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 96.48 24.43119 -25.188799 -2.0959558 1 3221 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 96.48 24.71648 -26.520872 -1.3937721 1 3222 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 95.7 25.810392 -26.726242 -0.8576306 1 3223 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 95.7 23.808146 -24.194048 -1.1109732 1 3224 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 92.58 24.642082 -23.957222 0.1363883 1 3225 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 89.84 23.972193 -23.00145 1.1018168 1 3226 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 85.55 23.112223 -22.212269 0.70230466 1 3227 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 83.98 24.353233 -23.055588 2.3698587 1 3228 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 96.88 23.738632 -27.413857 -1.3986036 1 3229 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 96.88 23.894552 -28.704712 -0.7419082 1 3230 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 96.48 24.703173 -29.719433 -1.5211537 1 3231 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 95.7 24.943237 -30.821617 -1.0328249 1 3232 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 96.48 25.133896 -29.358732 -2.7328622 1 3233 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 96.48 25.934937 -30.2409 -3.572493 1 3234 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 96.09 27.365665 -29.719574 -3.646552 1 3235 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 95.31 27.581284 -28.540054 -3.9220347 1 3236 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 96.48 25.346575 -30.326164 -4.985012 1 3237 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 96.09 23.915495 -30.845963 -5.1072235 1 3238 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 94.53 23.393105 -30.624481 -6.5268564 1 3239 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 93.75 23.850325 -32.32048 -4.734735 1 3240 +ATOM N N . SER B0 2 202 . 202 SER B0 N 96.09 28.327213 -30.583199 -3.3882604 1 3241 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 95.7 29.727112 -30.169743 -3.4334092 1 3242 +ATOM C C . SER B0 2 202 . 202 SER B0 C 96.09 30.168621 -29.839449 -4.8549905 1 3243 +ATOM O O . SER B0 2 202 . 202 SER B0 O 94.53 31.102367 -29.054737 -5.04601 1 3244 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 94.53 30.618214 -31.264309 -2.8481965 1 3245 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 89.45 30.499966 -32.47202 -3.5631192 1 3246 +ATOM N N . SER B0 2 203 . 203 SER B0 N 96.48 29.519255 -30.439156 -5.8257136 1 3247 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 96.48 29.7621 -30.160006 -7.2376637 1 3248 +ATOM C C . SER B0 2 203 . 203 SER B0 C 96.88 28.47338 -30.384727 -8.007082 1 3249 +ATOM O O . SER B0 2 203 . 203 SER B0 O 95.7 27.57314 -31.076502 -7.524893 1 3250 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 95.7 30.883608 -31.053143 -7.7876654 1 3251 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 90.23 30.536007 -32.42068 -7.697656 1 3252 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 96.88 28.336266 -29.780602 -9.190375 1 3253 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 96.48 27.09946 -29.965466 -9.953654 1 3254 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 96.88 26.801832 -31.431911 -10.222182 1 3255 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 95.7 27.711697 -32.230495 -10.446887 1 3256 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 96.09 27.3685 -29.193672 -11.250996 1 3257 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 94.53 28.37822 -28.160786 -10.869497 1 3258 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 95.7 29.25483 -28.841522 -9.855751 1 3259 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 96.09 25.513893 -31.770157 -10.169795 1 3260 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 96.48 25.045841 -33.12564 -10.455292 1 3261 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 96.88 24.354788 -33.119453 -11.80546 1 3262 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 96.48 23.540167 -32.23474 -12.08977 1 3263 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 95.31 24.083706 -33.63507 -9.362784 1 3264 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 92.97 23.393154 -34.926476 -9.804478 1 3265 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 92.19 24.833904 -33.84606 -8.062005 1 3266 +ATOM N N . THR B0 2 206 . 206 THR B0 N 95.7 24.680248 -34.11003 -12.633199 1 3267 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 95.7 24.074593 -34.220444 -13.956558 1 3268 +ATOM C C . THR B0 2 206 . 206 THR B0 C 95.31 23.308664 -35.53147 -14.079803 1 3269 +ATOM O O . THR B0 2 206 . 206 THR B0 O 94.53 23.8222 -36.590816 -13.736721 1 3270 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 95.7 25.138643 -34.136063 -15.064705 1 3271 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 92.97 25.79546 -32.875267 -15.007143 1 3272 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 92.19 24.501999 -34.303925 -16.44474 1 3273 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 96.09 22.0709 -35.430893 -14.547304 1 3274 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 95.7 21.265446 -36.59266 -14.907846 1 3275 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 96.48 21.038147 -36.5347 -16.404667 1 3276 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 96.09 20.741756 -35.465645 -16.948658 1 3277 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 94.92 19.928564 -36.606285 -14.165579 1 3278 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 92.19 20.030712 -37.02385 -12.698891 1 3279 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 89.45 20.320246 -38.507286 -12.584296 1 3280 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 86.72 20.335402 -38.9433 -11.118213 1 3281 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 83.2 20.596653 -40.395206 -10.99752 1 3282 +ATOM N N . SER B0 2 208 . 208 SER B0 N 95.31 21.19434 -37.67426 -17.087349 1 3283 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 94.92 21.06953 -37.670677 -18.536972 1 3284 +ATOM C C . SER B0 2 208 . 208 SER B0 C 94.53 20.511683 -38.99092 -19.045294 1 3285 +ATOM O O . SER B0 2 208 . 208 SER B0 O 93.36 20.466906 -39.986355 -18.3262 1 3286 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 94.53 22.425991 -37.387753 -19.200346 1 3287 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 90.23 23.340078 -38.436512 -18.950489 1 3288 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 94.92 20.091236 -38.99032 -20.29247 1 3289 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 94.92 19.660738 -40.205437 -20.979969 1 3290 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 94.53 20.019196 -40.098946 -22.453144 1 3291 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 93.75 20.248257 -38.994858 -22.970112 1 3292 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 94.92 18.1501 -40.46498 -20.80631 1 3293 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 94.92 17.256588 -39.45895 -21.490734 1 3294 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 93.75 16.805775 -38.347748 -20.807442 1 3295 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 93.75 16.87131 -39.619255 -22.808775 1 3296 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 93.36 15.979479 -37.41084 -21.425594 1 3297 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 93.75 16.0499 -38.69035 -23.432434 1 3298 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 94.14 15.603699 -37.58943 -22.743084 1 3299 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 94.53 20.086424 -41.23227 -23.08968 1 3300 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 94.14 20.299576 -41.289062 -24.533655 1 3301 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 93.75 18.973587 -41.58891 -25.207987 1 3302 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 92.58 18.297398 -42.558563 -24.84258 1 3303 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 93.36 21.319588 -42.367523 -24.890173 1 3304 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 91.02 22.701607 -42.081726 -24.341488 1 3305 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 87.11 23.067724 -40.930244 -24.13755 1 3306 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 86.33 23.487947 -43.125824 -24.107544 1 3307 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 93.36 18.592667 -40.76864 -26.185085 1 3308 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 92.58 17.318806 -40.939415 -26.870758 1 3309 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 91.02 17.215595 -42.342495 -27.464584 1 3310 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 87.89 18.123093 -42.808067 -28.14338 1 3311 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 91.8 17.153296 -39.888836 -27.98413 1 3312 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 90.23 15.85434 -40.00957 -28.75478 1 3313 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 90.23 15.777054 -39.02752 -29.92246 1 3314 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 89.45 16.927008 -39.130386 -30.808945 1 3315 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 89.84 17.086147 -40.071484 -31.713829 1 3316 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 87.5 18.178156 -40.086647 -32.478962 1 3317 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 87.89 16.165195 -40.9934 -31.878838 1 3318 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 87.5 16.126036 -43.004807 -27.17627 1 3319 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 85.16 15.87468 -44.333878 -27.701 1 3320 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 83.59 16.599892 -45.455925 -26.99687 1 3321 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 78.12 16.553612 -46.603485 -27.47834 1 3322 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 80.86 17.266548 -45.1697 -25.907969 1 3323 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 78.52 18.008152 -46.19803 -25.183762 1 3324 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 76.95 17.572586 -46.252716 -23.722832 1 3325 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 72.27 16.902988 -45.35398 -23.225477 1 3326 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 74.22 19.524696 -45.91971 -25.246054 1 3327 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 69.53 20.046549 -45.919846 -26.661972 1 3328 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 67.19 21.524422 -45.609077 -26.713875 1 3329 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 64.06 22.05576 -45.435707 -27.821514 1 3330 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 63.67 22.181782 -45.52927 -25.653324 1 3331 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 62.89 17.970829 -47.16274 -23.011738 1 3332 +ATOM N N . SER C0 3 1 . 1 SER C0 N 67.58 -10.559441 4.669023 42.374092 1 3333 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 68.36 -10.555687 5.9642706 41.698315 1 3334 +ATOM C C . SER C0 3 1 . 1 SER C0 C 71.09 -9.6034775 6.9283915 42.38109 1 3335 +ATOM O O . SER C0 3 1 . 1 SER C0 O 67.97 -9.291125 6.7847404 43.569973 1 3336 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 65.23 -11.972134 6.553424 41.67727 1 3337 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 60.55 -12.436323 6.7975445 42.993824 1 3338 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 80.08 -9.128308 7.8968697 41.63611 1 3339 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 80.08 -8.168669 8.85349 42.15004 1 3340 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 79.69 -8.867178 10.103494 42.68237 1 3341 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 76.56 -9.889775 10.534191 42.1437 1 3342 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 78.12 -7.1709886 9.24897 41.057785 1 3343 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 75.78 -6.3326855 8.122124 40.447033 1 3344 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 74.22 -5.367944 8.693703 39.4181 1 3345 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 72.66 -5.5872755 7.3516045 41.51391 1 3346 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 81.64 -8.290693 10.697765 43.708447 1 3347 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 81.64 -8.767129 11.955767 44.273827 1 3348 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 83.2 -7.5772834 12.732273 44.821545 1 3349 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 80.08 -6.419468 12.320125 44.640022 1 3350 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 78.12 -9.825815 11.712579 45.36191 1 3351 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 73.44 -9.347393 10.82021 46.487835 1 3352 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 69.92 -8.125387 10.681013 46.684444 1 3353 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 67.97 -10.202979 10.2487755 47.18714 1 3354 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 80.86 -7.836017 13.867491 45.504265 1 3355 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 80.86 -6.746161 14.696136 46.00846 1 3356 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 82.42 -5.894949 13.966095 47.047634 1 3357 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 79.69 -4.7034197 14.267422 47.19396 1 3358 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 77.73 -7.3070526 15.989042 46.6168 1 3359 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 71.88 -7.9222836 16.92815 45.588745 1 3360 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 68.36 -8.412428 18.22771 46.197655 1 3361 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 64.84 -8.989372 19.052818 45.47183 1 3362 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 63.28 -8.221067 18.43604 47.426075 1 3363 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 84.77 -6.493365 13.006773 47.75347 1 3364 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 85.94 -5.780756 12.314843 48.82209 1 3365 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 87.5 -4.820409 11.261963 48.29097 1 3366 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 85.55 -3.6836796 11.160143 48.776787 1 3367 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 82.42 -6.7812862 11.665822 49.78824 1 3368 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 76.17 -6.1352105 10.949518 50.96801 1 3369 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 72.66 -7.180881 10.408501 51.924995 1 3370 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 67.97 -6.543249 9.64339 53.071243 1 3371 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 64.06 -5.6877565 10.525197 53.910885 1 3372 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 87.89 -5.2160864 10.499249 47.270027 1 3373 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 89.06 -4.387351 9.397367 46.792236 1 3374 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 90.23 -3.7092395 9.685459 45.45389 1 3375 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 88.67 -3.1900222 8.766526 44.811005 1 3376 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 86.33 -5.2136917 8.113062 46.710712 1 3377 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 82.03 -6.320421 8.170818 45.673676 1 3378 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 78.12 -6.514491 9.17924 44.99718 1 3379 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 76.56 -7.062426 7.0764465 45.527824 1 3380 +ATOM N N . SER C0 3 7 . 7 SER C0 N 91.02 -3.6680193 10.9709015 45.045765 1 3381 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 92.19 -3.0769114 11.312272 43.758232 1 3382 +ATOM C C . SER C0 3 7 . 7 SER C0 C 92.58 -2.3477018 12.64637 43.824474 1 3383 +ATOM O O . SER C0 3 7 . 7 SER C0 O 91.8 -2.5042071 13.415462 44.77865 1 3384 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 90.62 -4.1502547 11.353 42.670135 1 3385 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 87.5 -5.047528 12.417389 42.89759 1 3386 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 92.97 -1.5515139 12.907227 42.803024 1 3387 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 93.75 -0.8675304 14.176329 42.621826 1 3388 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 94.53 -1.4764541 14.865206 41.39848 1 3389 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 93.75 -1.6611243 14.223631 40.351585 1 3390 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 92.19 0.64690554 13.979838 42.427708 1 3391 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 87.11 1.3257616 15.300842 42.119007 1 3392 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 85.16 1.2669992 13.326332 43.65567 1 3393 +ATOM N N . SER C0 3 9 . 9 SER C0 N 93.36 -1.7987533 16.144941 41.518562 1 3394 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 93.75 -2.3660517 16.908333 40.42118 1 3395 +ATOM C C . SER C0 3 9 . 9 SER C0 C 94.53 -1.2497711 17.59595 39.63843 1 3396 +ATOM O O . SER C0 3 9 . 9 SER C0 O 93.75 -0.42087972 18.301542 40.222958 1 3397 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 92.58 -3.3645723 17.937195 40.948856 1 3398 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 87.5 -3.9530554 18.667542 39.88938 1 3399 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 94.53 -1.2182946 17.384716 38.330444 1 3400 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 94.92 -0.19898915 17.970032 37.466034 1 3401 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 94.92 -0.8766492 18.911137 36.472 1 3402 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 94.14 -1.8031075 18.503696 35.759163 1 3403 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 94.14 0.5922445 16.881195 36.713882 1 3404 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 91.02 1.615057 17.508478 35.78128 1 3405 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 90.23 1.2700665 15.932914 37.696907 1 3406 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 94.53 -0.40416798 20.166994 36.420334 1 3407 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 94.14 -0.93745935 21.142323 35.479343 1 3408 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 94.92 -0.40646255 20.870916 34.07382 1 3409 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 93.75 0.77933866 20.561659 33.896164 1 3410 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 92.97 -0.56936103 22.567383 35.910175 1 3411 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 87.89 -1.3035631 23.006817 37.158703 1 3412 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 84.38 -2.4715624 22.609589 37.33076 1 3413 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 82.42 -0.7131089 23.755962 37.957054 1 3414 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 94.92 -1.2808881 21.003168 33.08713 1 3415 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 94.92 -0.93807685 20.7275 31.698135 1 3416 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 94.53 -1.2269559 21.943697 30.827564 1 3417 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 92.97 -2.0228233 22.80685 31.19718 1 3418 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 94.92 -1.7492037 19.540142 31.179682 1 3419 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 94.53 -1.6025816 18.215137 31.920828 1 3420 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 92.97 -2.624782 17.214767 31.39592 1 3421 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 92.58 -0.18902002 17.679087 31.78095 1 3422 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 94.53 -0.588406 22.027964 29.653065 1 3423 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 93.75 -0.93669164 23.084423 28.697191 1 3424 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 92.97 -2.4298658 23.04306 28.366993 1 3425 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 91.02 -3.0389738 21.969604 28.343409 1 3426 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 92.97 -0.0768472 22.756554 27.471909 1 3427 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 92.19 1.0945208 22.001251 28.025288 1 3428 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 93.36 0.53311676 21.20023 29.165936 1 3429 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 90.23 -3.009982 24.213982 28.117605 1 3430 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 89.06 -4.4303913 24.276798 27.820435 1 3431 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 89.45 -5.2980304 24.37325 29.056068 1 3432 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 86.33 -6.503874 24.129402 28.978132 1 3433 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 89.45 -4.6763067 24.723103 30.180807 1 3434 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 89.06 -5.376549 24.864433 31.455196 1 3435 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 90.62 -6.1345396 23.593338 31.843004 1 3436 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 88.67 -7.2708683 23.635424 32.296425 1 3437 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 86.33 -6.326479 26.068 31.412628 1 3438 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 79.3 -5.616886 27.37724 31.1345 1 3439 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 73.83 -6.539058 28.572495 31.166939 1 3440 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 69.14 -6.700591 29.227905 30.119026 1 3441 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 66.41 -7.106859 28.85701 32.239716 1 3442 +ATOM N N . MET C0 3 16 . 16 MET C0 N 93.36 -5.4799385 22.4617 31.625576 1 3443 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 93.36 -6.014274 21.177053 32.044197 1 3444 +ATOM C C . MET C0 3 16 . 16 MET C0 C 93.75 -5.176125 20.628304 33.18683 1 3445 +ATOM O O . MET C0 3 16 . 16 MET C0 O 92.58 -4.0737276 21.10402 33.45688 1 3446 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 91.8 -6.0176206 20.17728 30.880447 1 3447 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 87.89 -6.9234066 20.560183 29.730072 1 3448 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 85.55 -7.022079 19.253668 28.47699 1 3449 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 80.47 -5.3139987 19.187088 27.941025 1 3450 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 93.75 -5.6946883 19.621315 33.853397 1 3451 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 93.36 -4.9622188 18.939999 34.91073 1 3452 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 94.14 -5.1036882 17.439339 34.738693 1 3453 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 93.75 -6.1303024 16.952942 34.25349 1 3454 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 92.19 -5.4986095 19.337492 36.296196 1 3455 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 87.5 -5.2975025 20.792048 36.661186 1 3456 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 84.77 -5.8692193 21.087677 38.037342 1 3457 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 78.91 -5.73415 22.560911 38.399605 1 3458 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 73.83 -4.3269787 22.960976 38.595535 1 3459 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 94.92 -4.0746956 16.7127 35.13764 1 3460 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 95.31 -4.1489134 15.259115 35.155937 1 3461 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 95.31 -3.845364 14.795664 36.574474 1 3462 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 94.53 -2.9464355 15.333384 37.23607 1 3463 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 94.92 -3.174026 14.604881 34.141823 1 3464 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 92.19 -3.3433104 13.081769 34.12596 1 3465 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 90.23 -1.730679 14.978283 34.443916 1 3466 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 94.92 -4.60647 13.845852 37.07479 1 3467 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 94.92 -4.3459206 13.242004 38.37117 1 3468 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 95.31 -3.5095842 11.97975 38.16995 1 3469 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 94.92 -3.8524246 11.133626 37.335037 1 3470 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 94.14 -5.658617 12.886584 39.081287 1 3471 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 91.02 -6.5937257 14.04748 39.423176 1 3472 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 88.67 -7.860141 13.511976 40.090584 1 3473 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 87.11 -5.897869 15.064022 40.31874 1 3474 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 94.92 -2.4173822 11.876712 38.930008 1 3475 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 94.92 -1.5127907 10.728579 38.851532 1 3476 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 94.53 -1.5215716 10.012434 40.193672 1 3477 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 93.75 -1.3245425 10.648684 41.24143 1 3478 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 94.92 -0.072984286 11.161318 38.50109 1 3479 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 92.58 0.81122947 9.941322 38.28402 1 3480 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 91.8 -0.070526145 12.072198 37.276047 1 3481 +ATOM N N . SER C0 3 21 . 21 SER C0 N 94.92 -1.7376052 8.705095 40.17553 1 3482 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 94.53 -1.7526321 7.948432 41.422806 1 3483 +ATOM C C . SER C0 3 21 . 21 SER C0 C 94.14 -0.37708974 8.007237 42.088856 1 3484 +ATOM O O . SER C0 3 21 . 21 SER C0 O 93.36 0.6573367 7.959114 41.418674 1 3485 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 93.75 -2.155167 6.4890213 41.167564 1 3486 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 90.62 -1.2113987 5.8310165 40.338306 1 3487 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 93.36 -0.37163222 8.13405 43.420822 1 3488 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 92.97 0.8854785 8.179981 44.16826 1 3489 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 93.36 1.6038496 6.837843 44.165306 1 3490 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 92.19 2.8387318 6.7949033 44.247383 1 3491 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 91.8 0.61830306 8.62662 45.604004 1 3492 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 87.5 0.17692816 10.087177 45.71634 1 3493 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 84.38 -0.042770993 10.47003 47.17732 1 3494 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 79.3 -0.46409363 11.933369 47.289577 1 3495 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 74.61 -0.7052354 12.322936 48.69638 1 3496 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 92.19 0.83338445 5.738056 44.078423 1 3497 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 91.8 1.4025682 4.3942842 44.09025 1 3498 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 92.19 1.0191275 3.6390157 42.826847 1 3499 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 91.41 -0.009463587 3.9224982 42.205315 1 3500 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 90.23 0.93487966 3.610687 45.323944 1 3501 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 84.38 1.2348298 4.3079586 46.65976 1 3502 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 80.86 2.7052612 4.4679136 46.930683 1 3503 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 76.56 3.0918894 5.4295616 47.61743 1 3504 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 75.0 3.5069451 3.6318684 46.450596 1 3505 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 93.36 1.8569005 2.6733956 42.454815 1 3506 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 93.36 1.577536 1.8356522 41.286606 1 3507 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 92.97 0.40009996 0.8967352 41.56798 1 3508 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 91.02 0.17397952 0.49487016 42.72295 1 3509 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 92.58 2.8143024 1.0221899 40.90129 1 3510 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 90.62 3.9719973 1.8671783 40.39628 1 3511 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 89.06 5.167241 0.98097825 40.05133 1 3512 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 85.55 6.323185 1.8184558 39.535995 1 3513 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 81.64 7.5043974 0.98354024 39.230904 1 3514 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 92.97 -0.3180276 0.53163606 40.504402 1 3515 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 92.58 -1.4115906 -0.41794652 40.65 1 3516 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 92.58 -0.87104213 -1.8462447 40.626045 1 3517 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 91.41 0.34679365 -2.056785 40.625824 1 3518 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 91.41 -2.4751024 -0.20849109 39.55877 1 3519 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 90.62 -1.9361866 -0.39903772 38.155304 1 3520 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 87.89 -0.9768917 -1.1447544 37.937027 1 3521 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 87.11 -2.5565543 0.2595092 37.186913 1 3522 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 92.58 -1.7524436 -2.8327076 40.642487 1 3523 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 92.19 -1.3292253 -4.2277822 40.699917 1 3524 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 92.97 -0.538044 -4.6564355 39.47123 1 3525 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 91.41 0.1664818 -5.672935 39.516747 1 3526 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 91.41 -2.5504687 -5.1381392 40.864014 1 3527 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 86.33 -3.5131004 -5.1125154 39.69406 1 3528 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 82.42 -4.6749153 -6.050088 39.930557 1 3529 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 78.12 -5.6505904 -6.089628 38.75949 1 3530 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 73.44 -6.336923 -4.7968245 38.5409 1 3531 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 92.97 -0.621035 -3.8852487 38.37812 1 3532 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 92.97 0.13033916 -4.1790557 37.165276 1 3533 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 93.75 1.4599187 -3.4169686 37.097473 1 3534 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 92.97 2.1447492 -3.4601817 36.073605 1 3535 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 91.41 -0.71109474 -3.856996 35.92829 1 3536 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 89.06 -1.97503 -4.6880836 35.850685 1 3537 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 86.33 -1.8961587 -5.9074974 36.125484 1 3538 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 84.77 -3.0411134 -4.131876 35.520554 1 3539 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 94.14 1.825248 -2.7377796 38.19227 1 3540 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 94.14 3.082766 -2.011723 38.24713 1 3541 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 94.92 3.0991316 -0.7170017 37.463844 1 3542 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 94.14 4.172353 -0.25703079 37.049965 1 3543 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 94.92 1.9338173 -0.095273145 37.269943 1 3544 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 95.31 1.8415544 1.155615 36.527065 1 3545 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 95.31 1.0957857 2.2077565 37.340282 1 3546 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 94.53 0.3406814 1.8790956 38.26135 1 3547 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 94.53 1.1463722 0.9346297 35.17986 1 3548 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 92.19 1.9126686 0.023066264 34.238033 1 3549 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 90.23 1.2477968 -0.058305405 32.879524 1 3550 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 85.94 2.0734234 -0.9007693 31.920097 1 3551 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 81.25 1.4722658 -0.93419147 30.573345 1 3552 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 95.31 1.3151245 3.4758763 36.974003 1 3553 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 95.31 0.60864294 4.5767403 37.60685 1 3554 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 95.31 -0.700207 4.8441415 36.875244 1 3555 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 95.31 -0.74663496 4.793421 35.63835 1 3556 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 95.31 1.4734355 5.8418474 37.615646 1 3557 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 94.53 2.7324748 5.696145 38.43949 1 3558 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 92.58 3.9354014 5.3239336 37.850765 1 3559 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 91.8 2.719373 5.9437017 39.802086 1 3560 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 91.02 5.0883727 5.1857653 38.60293 1 3561 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 91.02 3.8716104 5.805217 40.562996 1 3562 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 91.8 5.047727 5.4269905 39.9551 1 3563 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 91.02 6.1904182 5.291051 40.704994 1 3564 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 95.31 -1.7423716 5.129696 37.633152 1 3565 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 95.31 -3.0421646 5.4474936 37.05018 1 3566 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 95.7 -3.1305313 6.9392185 36.752808 1 3567 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 95.31 -2.6848886 7.7716284 37.54882 1 3568 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 94.14 -4.171031 5.0425673 37.99916 1 3569 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 91.41 -4.2508893 3.5456114 38.18875 1 3570 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 88.28 -4.128522 2.8118925 37.191048 1 3571 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 86.72 -4.4336996 3.1017008 39.340195 1 3572 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 94.92 -3.6957617 7.2948756 35.59854 1 3573 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 95.31 -3.88384 8.675408 35.174324 1 3574 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 95.31 -5.371555 8.939619 34.96455 1 3575 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 94.92 -6.0700397 8.10593 34.378174 1 3576 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 95.7 -3.1332269 8.963505 33.87049 1 3577 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 94.92 -1.6437106 8.611626 33.799294 1 3578 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 93.36 -1.120352 8.8810005 32.390327 1 3579 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 92.19 -0.84929883 9.386938 34.82914 1 3580 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 94.92 -5.842532 10.104246 35.417446 1 3581 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 94.92 -7.224758 10.510099 35.187252 1 3582 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 95.31 -7.2451935 11.997188 34.843468 1 3583 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 94.92 -6.5763693 12.799826 35.49847 1 3584 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 93.75 -8.122152 10.245752 36.416004 1 3585 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 91.02 -8.212276 8.743542 36.702007 1 3586 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 91.02 -9.525842 10.821954 36.185867 1 3587 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 84.77 -9.0793 8.403646 37.91329 1 3588 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 94.92 -7.987137 12.356644 33.81637 1 3589 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 94.92 -8.183465 13.751295 33.444283 1 3590 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 94.92 -9.624854 13.931557 32.983055 1 3591 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 94.14 -10.242847 12.992174 32.479633 1 3592 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 94.53 -7.2143283 14.175148 32.342064 1 3593 +ATOM N N . THR C0 3 35 . 35 THR C0 N 93.36 -10.163721 15.130296 33.1713 1 3594 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 92.97 -11.515619 15.43019 32.724808 1 3595 +ATOM C C . THR C0 3 35 . 35 THR C0 C 93.36 -11.454149 16.497272 31.638699 1 3596 +ATOM O O . THR C0 3 35 . 35 THR C0 O 92.58 -10.911806 17.583199 31.859701 1 3597 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 91.8 -12.39661 15.908331 33.887566 1 3598 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 88.28 -12.442221 14.888674 34.89602 1 3599 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 87.11 -13.811498 16.209465 33.412918 1 3600 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 93.75 -11.9876375 16.190601 30.473568 1 3601 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 92.97 -12.007546 17.103226 29.334557 1 3602 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 92.58 -13.44713 17.1903 28.838318 1 3603 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 91.02 -14.0417595 16.168041 28.467594 1 3604 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 92.58 -11.080419 16.618713 28.206455 1 3605 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 89.84 -11.166464 17.557278 27.009571 1 3606 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 88.67 -9.638174 16.509867 28.70176 1 3607 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 90.23 -14.002987 18.399872 28.836054 1 3608 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 89.45 -15.376701 18.627188 28.39541 1 3609 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 89.84 -16.351849 17.674877 29.085253 1 3610 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 87.89 -17.19417 17.035475 28.4542 1 3611 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 87.11 -15.487692 18.484047 26.87099 1 3612 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 83.2 -14.690583 19.537434 26.133293 1 3613 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 78.91 -14.582455 20.671272 26.644476 1 3614 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 76.95 -14.171237 19.239567 25.035515 1 3615 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 91.41 -16.206165 17.563055 30.39423 1 3616 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 90.62 -17.056036 16.747309 31.254402 1 3617 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 91.8 -16.888268 15.245726 31.041395 1 3618 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 90.62 -17.642338 14.459118 31.607807 1 3619 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 88.67 -18.540773 17.135178 31.087368 1 3620 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 82.42 -18.835207 18.587017 31.429485 1 3621 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 77.73 -20.325321 18.88055 31.28043 1 3622 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 72.66 -20.622345 20.341022 31.60281 1 3623 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 66.8 -22.067802 20.637615 31.449944 1 3624 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 93.75 -15.92024 14.853224 30.247862 1 3625 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 94.14 -15.645844 13.438433 30.019142 1 3626 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 94.14 -14.401733 13.021056 30.796494 1 3627 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 93.36 -13.3466425 13.655459 30.665665 1 3628 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 93.75 -15.444832 13.165529 28.528463 1 3629 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 91.8 -15.085033 11.719698 28.153683 1 3630 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 89.84 -14.661656 11.644962 26.69563 1 3631 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 88.28 -16.259777 10.792186 28.424389 1 3632 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 94.53 -14.530668 11.97476 31.598553 1 3633 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 94.53 -13.37804 11.473619 32.33851 1 3634 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 95.31 -12.566988 10.53536 31.452778 1 3635 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 94.53 -13.091362 9.551756 30.923752 1 3636 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 93.36 -13.820437 10.743134 33.609283 1 3637 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 89.06 -12.661805 10.305677 34.48459 1 3638 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 86.72 -13.118441 9.690788 35.796852 1 3639 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 82.81 -13.2650795 10.416421 36.79255 1 3640 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 81.64 -13.344637 8.464045 35.812126 1 3641 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 95.31 -11.294144 10.858897 31.286135 1 3642 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 95.7 -10.369637 10.033252 30.522415 1 3643 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 95.31 -9.466456 9.2806 31.485657 1 3644 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 94.92 -9.034073 9.834514 32.4981 1 3645 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 95.7 -9.525014 10.897172 29.580132 1 3646 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 95.7 -10.2857485 11.862983 28.673475 1 3647 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 94.14 -9.305485 12.684016 27.844528 1 3648 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 92.97 -11.25824 11.121391 27.780865 1 3649 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 95.7 -9.169474 8.034521 31.17051 1 3650 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 95.31 -8.341661 7.2052774 32.03373 1 3651 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 95.7 -7.2154036 6.548725 31.241898 1 3652 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 95.31 -7.364333 6.24219 30.058235 1 3653 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 94.53 -9.186287 6.1272616 32.720932 1 3654 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 89.84 -10.241468 6.6821156 33.66286 1 3655 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 86.72 -10.978491 5.5648284 34.376892 1 3656 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 80.86 -11.9902725 6.1331863 35.36715 1 3657 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 76.17 -12.680384 5.0612903 36.103783 1 3658 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 95.31 -6.109729 6.3369374 31.931356 1 3659 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 95.7 -4.9787393 5.648344 31.329927 1 3660 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 95.7 -4.0029874 5.201728 32.39756 1 3661 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 95.31 -4.192704 5.463344 33.585667 1 3662 +ATOM N N . THR C0 3 44 . 44 THR C0 N 95.31 -2.948769 4.4887304 31.962866 1 3663 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 95.31 -1.8804435 4.0782595 32.863136 1 3664 +ATOM C C . THR C0 3 44 . 44 THR C0 C 95.7 -0.5356199 4.4093695 32.224495 1 3665 +ATOM O O . THR C0 3 44 . 44 THR C0 O 94.92 -0.43371636 4.5681047 31.008045 1 3666 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 94.53 -1.9387275 2.5724554 33.183727 1 3667 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 90.23 -1.8572202 1.8271629 31.968334 1 3668 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 89.06 -3.2138157 2.2143104 33.923344 1 3669 +ATOM N N . SER C0 3 45 . 45 SER C0 N 95.7 0.47465742 4.5198293 33.06962 1 3670 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 95.7 1.7976539 4.887476 32.58834 1 3671 +ATOM C C . SER C0 3 45 . 45 SER C0 C 95.31 2.8707392 4.2720575 33.472145 1 3672 +ATOM O O . SER C0 3 45 . 45 SER C0 O 94.92 2.662359 4.083606 34.67301 1 3673 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 94.92 1.9547316 6.4143934 32.56577 1 3674 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 92.97 3.264443 6.796733 32.184883 1 3675 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 95.31 4.034584 3.967995 32.871964 1 3676 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 94.53 5.1909785 3.5466485 33.65629 1 3677 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 94.92 5.8518257 4.7345066 34.345528 1 3678 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 93.75 6.7234755 4.542365 35.193287 1 3679 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 93.36 6.223034 2.8434074 32.761086 1 3680 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 89.45 5.734682 1.5103154 32.23552 1 3681 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 85.94 5.044339 0.78799313 32.985992 1 3682 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 84.38 6.047702 1.1795309 31.072433 1 3683 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 94.53 5.4522123 5.937301 33.973457 1 3684 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 94.92 6.0063677 7.160503 34.54006 1 3685 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 94.92 5.029525 7.7699227 35.535465 1 3686 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 94.14 3.8186612 7.562372 35.425133 1 3687 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 93.75 6.32767 8.160192 33.426254 1 3688 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 91.02 7.214033 7.584072 32.334206 1 3689 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 88.67 7.3286767 8.527267 31.152416 1 3690 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 84.38 8.112251 7.892975 30.023668 1 3691 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 80.08 8.154838 8.7646475 28.824896 1 3692 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 94.53 5.56 8.552858 36.495132 1 3693 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 94.14 4.712029 9.165281 37.503304 1 3694 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 94.53 4.686206 10.685358 37.423477 1 3695 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 93.75 4.266096 11.347157 38.37325 1 3696 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 92.97 5.1395674 8.713453 38.90966 1 3697 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 91.02 6.4979687 9.271198 39.320496 1 3698 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 87.89 7.238682 9.815443 38.499443 1 3699 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 86.33 6.833932 9.123254 40.592346 1 3700 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 95.31 5.112195 11.254667 36.28606 1 3701 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 95.31 5.1750355 12.705776 36.148285 1 3702 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 95.31 3.9437516 13.306006 35.46691 1 3703 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 94.53 3.8845332 14.518893 35.27385 1 3704 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 94.92 6.4494934 13.117546 35.40411 1 3705 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 94.53 6.4319196 12.710053 33.94477 1 3706 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 91.41 5.564048 11.96036 33.49706 1 3707 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 90.62 7.3957314 13.197273 33.188457 1 3708 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 95.31 2.9786599 12.507473 35.100197 1 3709 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 95.31 1.7812755 12.98289 34.42993 1 3710 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 96.48 1.7587738 12.745323 32.933716 1 3711 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 95.7 0.72913164 12.986689 32.29299 1 3712 +ATOM N N . SER C0 3 51 . 51 SER C0 N 96.48 2.8674002 12.299481 32.34606 1 3713 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 96.09 2.9042864 12.018435 30.91762 1 3714 +ATOM C C . SER C0 3 51 . 51 SER C0 C 96.48 2.2395382 10.674086 30.6321 1 3715 +ATOM O O . SER C0 3 51 . 51 SER C0 O 95.7 2.2102876 9.790782 31.485352 1 3716 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 95.7 4.3457317 12.027293 30.400932 1 3717 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 92.97 5.092563 10.976635 30.969303 1 3718 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 95.7 1.7084615 10.546177 29.42511 1 3719 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 96.09 1.0703878 9.2953005 29.059177 1 3720 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 96.88 -0.12245104 9.509855 28.146357 1 3721 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 96.48 -0.31771585 10.5922165 27.590721 1 3722 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 94.92 -0.9112544 8.460123 27.982788 1 3723 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 95.31 -2.074071 8.490368 27.109684 1 3724 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 95.7 -3.3179536 8.144236 27.921665 1 3725 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 95.31 -3.3171625 7.177755 28.690071 1 3726 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 94.14 -1.9152827 7.4982376 25.935806 1 3727 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 92.19 -3.1614673 7.4940324 25.066181 1 3728 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 91.41 -0.69158185 7.8501425 25.106813 1 3729 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 96.09 -4.3719068 8.947924 27.7707 1 3730 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 96.48 -5.6497335 8.710709 28.43305 1 3731 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 96.48 -6.738522 8.622751 27.378622 1 3732 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 96.09 -6.6902714 9.330679 26.364857 1 3733 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 96.48 -5.974077 9.834263 29.422874 1 3734 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 95.7 -4.986585 10.098045 30.560171 1 3735 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 94.14 -5.704778 10.742241 31.740881 1 3736 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 93.36 -3.834941 10.969385 30.085451 1 3737 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 95.7 -7.723004 7.7815437 27.626036 1 3738 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 95.7 -8.783672 7.5673156 26.64837 1 3739 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 96.09 -10.160954 7.539269 27.313969 1 3740 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 95.31 -10.285341 7.2192354 28.494724 1 3741 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 94.53 -8.554023 6.263673 25.883955 1 3742 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 89.84 -7.2660966 6.2532415 25.08383 1 3743 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 87.11 -7.013755 4.9376507 24.379272 1 3744 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 83.98 -6.2977753 4.930093 23.359192 1 3745 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 83.59 -7.5361395 3.909882 24.841642 1 3746 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 95.7 -11.180828 7.867451 26.53064 1 3747 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 95.7 -12.556852 7.811937 26.986685 1 3748 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 96.09 -13.508948 7.7355537 25.809689 1 3749 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 95.7 -13.106341 7.918025 24.656128 1 3750 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 95.31 -14.780799 7.4571705 26.09711 1 3751 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 95.31 -15.804371 7.329526 25.06789 1 3752 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 95.31 -16.955772 8.271852 25.394543 1 3753 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 94.92 -17.461723 8.279597 26.525349 1 3754 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 94.53 -16.319592 5.8785114 24.960659 1 3755 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 92.58 -17.372858 5.7651763 23.866936 1 3756 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 92.19 -15.167389 4.923107 24.693516 1 3757 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 94.53 -17.368149 9.074404 24.394857 1 3758 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 94.53 -18.46356 10.018123 24.582697 1 3759 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 94.53 -19.81981 9.331966 24.408295 1 3760 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 94.14 -19.896173 8.179581 23.955671 1 3761 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 93.75 -18.333757 11.184645 23.59713 1 3762 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 91.02 -17.075817 12.013945 23.80491 1 3763 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 89.06 -16.882788 13.0373955 22.692627 1 3764 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 85.94 -17.887589 14.165001 22.776188 1 3765 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 82.81 -17.607025 15.205412 21.767351 1 3766 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 92.97 -20.897045 10.046246 24.754797 1 3767 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 92.58 -22.243832 9.482811 24.671484 1 3768 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 92.58 -22.614716 9.074982 23.246721 1 3769 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 91.02 -23.346518 8.102575 23.048885 1 3770 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 91.41 -23.264334 10.474053 25.220346 1 3771 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 91.41 -22.111082 9.81871 22.250826 1 3772 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 91.02 -22.407986 9.485998 20.862606 1 3773 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 91.41 -21.473347 8.409077 20.30679 1 3774 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 90.62 -21.451511 8.17124 19.100002 1 3775 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 90.23 -22.352613 10.741774 19.976318 1 3776 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 90.23 -20.962753 11.3380785 19.873634 1 3777 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 89.06 -20.024002 10.813843 20.514101 1 3778 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 87.11 -20.800282 12.333521 19.135592 1 3779 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 92.58 -20.70155 7.791566 21.209871 1 3780 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 92.19 -19.767237 6.7108755 20.913538 1 3781 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 92.97 -18.48893 7.178047 20.217556 1 3782 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 92.19 -17.673635 6.352648 19.802723 1 3783 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 90.23 -20.448334 5.592841 20.112577 1 3784 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 85.16 -21.60572 4.9572225 20.867727 1 3785 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 80.86 -22.190964 3.7824016 20.104002 1 3786 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 75.39 -23.355572 3.1848764 20.89141 1 3787 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 69.53 -23.955524 2.0472608 20.167542 1 3788 +ATOM N N . SER C0 3 62 . 62 SER C0 N 93.36 -18.328259 8.512428 20.068682 1 3789 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 93.36 -17.04626 9.034348 19.611643 1 3790 +ATOM C C . SER C0 3 62 . 62 SER C0 C 94.53 -15.996652 8.717269 20.66938 1 3791 +ATOM O O . SER C0 3 62 . 62 SER C0 O 94.14 -16.302416 8.633573 21.862635 1 3792 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 91.8 -17.113884 10.5419445 19.377436 1 3793 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 89.45 -18.04121 10.875392 18.37361 1 3794 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 94.53 -14.764989 8.542776 20.245289 1 3795 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 94.92 -13.687983 8.198307 21.164574 1 3796 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 95.7 -12.710352 9.358451 21.290745 1 3797 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 95.31 -12.410128 10.045313 20.305567 1 3798 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 93.36 -12.980003 6.922379 20.705784 1 3799 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 90.62 -13.934322 5.7382965 20.66003 1 3800 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 88.28 -13.249469 4.4418774 20.273314 1 3801 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 83.59 -14.258631 3.2931066 20.284286 1 3802 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 78.52 -13.646763 2.0225582 19.89805 1 3803 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 96.09 -12.251816 9.604521 22.51883 1 3804 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 96.09 -11.370054 10.72604 22.825579 1 3805 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 96.09 -10.042217 10.188733 23.350136 1 3806 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 95.7 -10.016427 9.282715 24.185823 1 3807 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 95.7 -12.005594 11.675844 23.859371 1 3808 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 93.75 -11.092636 12.86092 24.125391 1 3809 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 93.36 -13.373145 12.141968 23.37691 1 3810 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 95.7 -8.95198 10.768545 22.863422 1 3811 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 95.7 -7.6154275 10.355158 23.268665 1 3812 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 96.09 -6.7993393 11.596313 23.619492 1 3813 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 95.7 -6.6742992 12.511591 22.802591 1 3814 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 94.53 -6.932312 9.563509 22.147099 1 3815 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 92.19 -5.527275 9.087244 22.47309 1 3816 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 90.62 -4.958433 8.305692 21.293697 1 3817 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 86.33 -3.5367613 7.847996 21.547215 1 3818 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 83.2 -3.0128918 7.0759497 20.399637 1 3819 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 96.48 -6.279622 11.630579 24.845383 1 3820 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 96.48 -5.4218225 12.718519 25.304258 1 3821 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 96.48 -4.0051517 12.194114 25.473198 1 3822 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 96.09 -3.7787302 11.258745 26.246922 1 3823 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 96.48 -5.9356184 13.2866 26.633347 1 3824 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 95.7 -5.064848 14.350531 27.300695 1 3825 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 94.14 -5.592855 14.680213 28.69283 1 3826 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 94.14 -4.980686 15.611263 26.448006 1 3827 +ATOM N N . THR C0 3 67 . 67 THR C0 N 96.09 -3.0700989 12.768467 24.739342 1 3828 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 95.7 -1.6698691 12.381069 24.839672 1 3829 +ATOM C C . THR C0 3 67 . 67 THR C0 C 96.48 -0.88364005 13.514069 25.50059 1 3830 +ATOM O O . THR C0 3 67 . 67 THR C0 O 96.48 -0.93015367 14.655727 25.044573 1 3831 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 94.92 -1.0785477 12.066484 23.45899 1 3832 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 92.97 -1.843995 11.029631 22.83908 1 3833 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 92.58 0.37247115 11.619292 23.574469 1 3834 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 96.88 -0.18996426 13.185993 26.582378 1 3835 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 96.88 0.6337018 14.142608 27.313354 1 3836 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 96.48 2.0932026 13.7895355 27.047218 1 3837 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 95.7 2.525352 12.673518 27.334063 1 3838 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 96.88 0.33003056 14.095978 28.822155 1 3839 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 95.31 -1.172837 14.292416 29.064226 1 3840 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 95.31 1.1518521 15.147148 29.566853 1 3841 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 93.75 -1.6378279 13.875211 30.45431 1 3842 +ATOM N N . SER C0 3 69 . 69 SER C0 N 96.48 2.862112 14.738144 26.480717 1 3843 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 96.48 4.2432804 14.475883 26.098598 1 3844 +ATOM C C . SER C0 3 69 . 69 SER C0 C 96.48 5.1161633 14.18848 27.322012 1 3845 +ATOM O O . SER C0 3 69 . 69 SER C0 O 96.09 4.809563 14.5942135 28.442959 1 3846 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 95.7 4.821316 15.654564 25.313148 1 3847 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 92.97 4.8584056 16.83307 26.101618 1 3848 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 96.09 6.2306876 13.475929 27.08727 1 3849 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 95.31 7.1257324 13.079992 28.168598 1 3850 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 95.7 7.6518927 14.2775955 28.957947 1 3851 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 94.53 7.816399 14.19376 30.169586 1 3852 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 94.53 8.306834 12.268704 27.620173 1 3853 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 89.84 7.920908 10.85846 27.226978 1 3854 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 85.94 6.7919006 10.427856 27.540583 1 3855 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 84.38 8.754593 10.172136 26.5975 1 3856 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 95.7 7.9282994 15.405888 28.266962 1 3857 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 95.31 8.436993 16.591583 28.942286 1 3858 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 95.31 7.328041 17.485477 29.487026 1 3859 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 94.53 7.611783 18.558823 30.01662 1 3860 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 94.53 9.355033 17.396938 28.009443 1 3861 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 92.97 8.625428 17.95963 26.79749 1 3862 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 91.41 7.4010134 17.735798 26.651941 1 3863 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 89.84 9.286877 18.637512 25.979832 1 3864 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 95.31 6.0852985 17.06041 29.365452 1 3865 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 95.31 4.893057 17.774355 29.813732 1 3866 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 95.31 4.705669 19.117887 29.112953 1 3867 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 94.53 3.9145179 19.945446 29.561127 1 3868 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 95.31 4.90853 17.984268 31.336643 1 3869 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 94.92 5.0673304 16.732437 32.189667 1 3870 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 92.97 4.9806566 17.103313 33.67031 1 3871 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 92.19 4.0148535 15.702605 31.841942 1 3872 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 96.09 5.421217 19.331123 28.0085 1 3873 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 95.7 5.362189 20.597157 27.300486 1 3874 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 96.09 4.30886 20.678476 26.222288 1 3875 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 95.31 4.155638 21.724117 25.5837 1 3876 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 96.48 3.5689464 19.598053 26.00519 1 3877 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 96.48 2.580422 19.579985 24.931885 1 3878 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 97.27 1.489751 18.5602 25.226234 1 3879 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 96.88 1.7690203 17.484068 25.772278 1 3880 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 95.7 3.2650445 19.251368 23.607002 1 3881 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 92.97 2.3642545 19.310501 22.392195 1 3882 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 91.41 3.1380296 19.070015 21.111134 1 3883 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 86.72 3.8880842 19.927309 20.65025 1 3884 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 85.94 2.983029 17.871908 20.559807 1 3885 +ATOM N N . THR C0 3 75 . 75 THR C0 N 96.48 0.2584006 18.90921 24.87179 1 3886 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 96.88 -0.83729404 17.955254 24.92241 1 3887 +ATOM C C . THR C0 3 75 . 75 THR C0 C 96.48 -1.4713851 17.851246 23.53873 1 3888 +ATOM O O . THR C0 3 75 . 75 THR C0 O 96.48 -1.4998057 18.826897 22.778515 1 3889 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 96.09 -1.9286448 18.35001 25.940231 1 3890 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 92.97 -2.4955122 19.610899 25.57182 1 3891 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 92.58 -1.3627989 18.43372 27.34652 1 3892 +ATOM N N . THR C0 3 76 . 76 THR C0 N 96.09 -1.9542315 16.649216 23.221146 1 3893 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 96.09 -2.6725345 16.417898 21.976704 1 3894 +ATOM C C . THR C0 3 76 . 76 THR C0 C 96.48 -4.020464 15.795975 22.332243 1 3895 +ATOM O O . THR C0 3 76 . 76 THR C0 O 96.48 -4.06531 14.731942 22.947897 1 3896 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 95.7 -1.8900063 15.486067 21.043295 1 3897 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 93.36 -0.6129168 16.058268 20.752022 1 3898 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 93.36 -2.646851 15.25432 19.744503 1 3899 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 96.09 -5.1028266 16.47845 21.962257 1 3900 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 96.09 -6.4425225 15.989205 22.23375 1 3901 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 96.09 -7.108556 15.6252 20.910923 1 3902 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 95.7 -7.316776 16.496124 20.04978 1 3903 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 96.09 -7.273852 17.046047 22.973005 1 3904 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 95.31 -8.677833 16.613773 23.402945 1 3905 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 93.75 -9.466442 17.814808 23.91367 1 3906 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 93.36 -8.609968 15.524888 24.459381 1 3907 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 95.7 -7.4271784 14.353998 20.749073 1 3908 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 95.7 -7.9945564 13.856217 19.504501 1 3909 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 96.09 -9.370944 13.2491255 19.750456 1 3910 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 95.7 -9.586645 12.563181 20.749718 1 3911 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 94.92 -7.079446 12.804767 18.870195 1 3912 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 93.36 -5.720874 13.339244 18.453651 1 3913 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 92.58 -4.748082 12.236563 18.083694 1 3914 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 90.62 -4.355225 12.14546 16.908707 1 3915 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 90.62 -4.3923507 11.44712 18.984476 1 3916 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 95.31 -10.297939 13.519411 18.822752 1 3917 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 95.31 -11.620249 12.91372 18.85861 1 3918 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 95.31 -11.783737 12.09336 17.586433 1 3919 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 94.92 -11.508855 12.580663 16.48608 1 3920 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 94.92 -12.739225 13.974667 18.963753 1 3921 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 93.36 -14.097652 13.308274 19.02922 1 3922 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 92.97 -12.512011 14.8643875 20.186161 1 3923 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 94.92 -12.215192 10.851151 17.738132 1 3924 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 94.53 -12.36526 9.917623 16.62493 1 3925 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 94.14 -13.820135 9.488947 16.464273 1 3926 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 93.75 -14.61281 9.575455 17.402 1 3927 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 93.75 -11.517237 8.667852 16.85401 1 3928 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 93.36 -10.0482435 8.920969 17.031815 1 3929 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 92.19 -9.52709 9.129364 18.302874 1 3930 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 91.8 -9.195888 8.9465065 15.947315 1 3931 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 91.02 -8.17153 9.359417 18.473873 1 3932 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 90.62 -7.8473644 9.172871 16.114582 1 3933 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 91.02 -7.326848 9.379702 17.38054 1 3934 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 92.19 -14.129825 8.982858 15.262273 1 3935 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 91.8 -15.411833 8.323951 15.0683565 1 3936 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 91.8 -15.436745 7.0467095 15.897018 1 3937 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 90.62 -14.442983 6.66842 16.520882 1 3938 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 90.62 -15.637837 8.0090885 13.582731 1 3939 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 88.67 -15.824825 9.246748 12.714895 1 3940 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 87.11 -15.90173 8.8992815 11.230291 1 3941 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 83.98 -17.194439 8.213076 10.865631 1 3942 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 81.25 -17.31068 8.018322 9.402369 1 3943 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 90.62 -16.561163 6.339627 15.880067 1 3944 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 89.06 -16.733932 5.1418176 16.701138 1 3945 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 89.06 -15.676338 4.0787015 16.408237 1 3946 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 87.11 -15.330011 3.2891722 17.287876 1 3947 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 87.11 -18.143833 4.5680733 16.5051 1 3948 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 82.81 -18.446499 3.3586004 17.376907 1 3949 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 79.3 -19.864681 2.8479927 17.20505 1 3950 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 75.78 -20.623848 3.4440114 16.406872 1 3951 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 75.0 -20.235025 1.85145 17.868732 1 3952 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 89.45 -15.131994 4.0638566 15.176621 1 3953 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 89.45 -14.140442 3.0553355 14.830939 1 3954 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 89.06 -12.794201 3.2884936 15.525132 1 3955 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 87.5 -11.914404 2.4279583 15.471891 1 3956 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 88.67 -13.952396 2.956932 13.31135 1 3957 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 88.28 -13.515033 4.2625513 12.661572 1 3958 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 87.11 -12.920076 5.124912 13.351082 1 3959 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 85.55 -13.754375 4.420912 11.442737 1 3960 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 91.41 -12.644783 4.441987 16.189499 1 3961 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 91.02 -11.431736 4.739682 16.921879 1 3962 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 91.41 -10.22885 5.059613 16.059364 1 3963 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 90.62 -9.109962 5.178849 16.582012 1 3964 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 92.58 -10.441614 5.234453 14.760588 1 3965 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 92.58 -9.360389 5.5009837 13.821808 1 3966 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 92.19 -9.580154 6.7615185 13.010766 1 3967 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 91.02 -8.63795 7.5263877 12.788297 1 3968 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 91.41 -9.181393 4.3110566 12.8683605 1 3969 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 91.02 -8.877587 2.9914784 13.560694 1 3970 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 89.84 -8.92487 1.8457344 12.56662 1 3971 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 88.28 -8.746256 0.51070976 13.258642 1 3972 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 85.55 -8.897901 -0.5966942 12.302463 1 3973 +ATOM N N . THR C0 3 86 . 86 THR C0 N 92.19 -10.8087635 6.9920316 12.553862 1 3974 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 92.58 -11.11969 8.142622 11.71945 1 3975 +ATOM C C . THR C0 3 86 . 86 THR C0 C 92.97 -11.170404 9.406752 12.575663 1 3976 +ATOM O O . THR C0 3 86 . 86 THR C0 O 92.19 -12.01055 9.527652 13.465908 1 3977 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 91.41 -12.455492 7.94495 10.991432 1 3978 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 89.45 -12.429115 6.7107778 10.277118 1 3979 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 88.67 -12.726482 9.087694 10.027173 1 3980 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 93.36 -10.287584 10.365068 12.2691765 1 3981 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 93.75 -10.154575 11.568956 13.077404 1 3982 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 93.75 -11.278072 12.563171 12.782315 1 3983 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 93.36 -11.590937 12.840345 11.61972 1 3984 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 92.97 -8.792357 12.210741 12.814437 1 3985 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 91.8 -8.301143 13.286797 13.779391 1 3986 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 90.23 -6.9268866 13.765741 13.324101 1 3987 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 89.84 -8.25245 12.766018 15.203779 1 3988 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 94.14 -11.87438 13.093886 13.846737 1 3989 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 94.14 -12.90872 14.112099 13.748622 1 3990 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 94.53 -12.327875 15.489367 14.059088 1 3991 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 94.14 -12.623339 16.466042 13.365195 1 3992 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 93.36 -14.085821 13.797034 14.699941 1 3993 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 91.41 -15.088182 14.940844 14.706087 1 3994 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 90.62 -14.752035 12.486994 14.300714 1 3995 +ATOM N N . SER C0 3 89 . 89 SER C0 N 95.31 -11.506285 15.578642 15.102288 1 3996 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 95.31 -10.848531 16.823505 15.470964 1 3997 +ATOM C C . SER C0 3 89 . 89 SER C0 C 95.31 -9.548678 16.524406 16.191885 1 3998 +ATOM O O . SER C0 3 89 . 89 SER C0 O 95.31 -9.374378 15.440573 16.75813 1 3999 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 94.92 -11.754378 17.699993 16.341593 1 4000 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 92.58 -11.989974 17.10635 17.596313 1 4001 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 95.7 -8.649281 17.513294 16.174204 1 4002 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 95.31 -7.3545036 17.365135 16.825275 1 4003 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 95.7 -6.875213 18.72761 17.294222 1 4004 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 95.31 -6.886103 19.687508 16.522629 1 4005 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 94.53 -6.323819 16.753025 15.864339 1 4006 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 92.58 -4.9253197 16.623472 16.455807 1 4007 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 90.62 -3.968481 15.987487 15.455553 1 4008 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 87.5 -2.5740752 15.830505 16.040009 1 4009 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 84.38 -1.665587 15.182233 15.082786 1 4010 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 96.09 -6.464759 18.813072 18.55795 1 4011 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 95.7 -5.9170403 20.047897 19.109138 1 4012 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 96.09 -4.595445 19.762264 19.799892 1 4013 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 96.09 -4.5244823 18.896305 20.671837 1 4014 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 95.31 -6.888319 20.708328 20.096241 1 4015 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 92.97 -6.3618603 22.03562 20.63845 1 4016 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 91.02 -7.39752 22.76299 21.480715 1 4017 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 87.89 -6.8623085 24.114805 21.940928 1 4018 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 83.98 -7.8727827 24.865395 22.708841 1 4019 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 96.09 -3.5609107 20.485577 19.39064 1 4020 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 96.09 -2.2399967 20.377235 20.000874 1 4021 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 96.09 -1.9497533 21.697235 20.708046 1 4022 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 96.09 -1.9998363 22.761375 20.083237 1 4023 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 95.31 -1.1469285 20.082 18.956425 1 4024 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 94.14 0.21573323 19.963875 19.629654 1 4025 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 93.75 -1.4863329 18.813946 18.185673 1 4026 +ATOM N N . THR C0 3 93 . 93 THR C0 N 96.09 -1.6663649 21.644783 21.995575 1 4027 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 95.7 -1.4073294 22.834583 22.798578 1 4028 +ATOM C C . THR C0 3 93 . 93 THR C0 C 96.09 -0.024266945 22.737415 23.434313 1 4029 +ATOM O O . THR C0 3 93 . 93 THR C0 O 95.7 0.3087662 21.719494 24.036894 1 4030 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 95.7 -2.4709382 23.012032 23.892502 1 4031 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 92.58 -3.7697332 23.030373 23.298561 1 4032 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 92.19 -2.2523332 24.315578 24.659966 1 4033 +ATOM N N . SER C0 3 94 . 94 SER C0 N 96.09 0.76639533 23.803976 23.28355 1 4034 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 95.7 2.120604 23.836803 23.815687 1 4035 +ATOM C C . SER C0 3 94 . 94 SER C0 C 95.7 2.1896935 24.665916 25.097284 1 4036 +ATOM O O . SER C0 3 94 . 94 SER C0 O 94.92 1.2934964 25.462582 25.390676 1 4037 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 94.92 3.0952487 24.400066 22.780064 1 4038 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 89.84 3.1409225 23.588425 21.626461 1 4039 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 94.53 3.2689574 24.49758 25.846775 1 4040 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 93.75 3.4418936 25.181019 27.118492 1 4041 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 94.14 3.4481428 26.699982 26.962608 1 4042 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 92.58 3.0376096 27.422024 27.87643 1 4043 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 92.58 4.740744 24.706072 27.789768 1 4044 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 87.5 4.947069 25.240564 29.19021 1 4045 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 83.59 6.2475386 24.713173 29.793736 1 4046 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 78.52 6.1765018 23.225338 30.066784 1 4047 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 73.44 7.4101443 22.720749 30.728683 1 4048 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 93.75 3.9072266 27.218325 25.81009 1 4049 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 93.36 3.9572024 28.66004 25.591757 1 4050 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 93.75 2.6081152 29.24341 25.171894 1 4051 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 92.58 2.539888 30.397022 24.746845 1 4052 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 92.97 5.036211 29.018246 24.56126 1 4053 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 92.58 4.7142634 28.534931 23.157291 1 4054 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 91.41 3.6872373 27.841301 22.965073 1 4055 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 89.84 5.491489 28.854324 22.235048 1 4056 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 93.36 1.5616939 28.457325 25.270138 1 4057 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 93.36 0.17604883 28.820354 24.962635 1 4058 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 94.53 -0.15492484 28.820745 23.473694 1 4059 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 93.75 -1.2824745 29.132315 23.097134 1 4060 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 91.8 -0.19061112 30.175426 25.582441 1 4061 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 86.72 -0.08580481 30.202595 27.099216 1 4062 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 82.03 -0.5068364 31.56371 27.641565 1 4063 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 75.78 -0.35522902 31.601444 29.157063 1 4064 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 69.53 -0.71434987 32.925087 29.697355 1 4065 +ATOM N N . SER C0 3 98 . 98 SER C0 N 95.31 0.8217089 28.496422 22.616615 1 4066 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 95.31 0.509423 28.354858 21.201668 1 4067 +ATOM C C . SER C0 3 98 . 98 SER C0 C 96.09 -0.24997753 27.048672 20.98905 1 4068 +ATOM O O . SER C0 3 98 . 98 SER C0 O 95.7 -0.08445904 26.08876 21.74074 1 4069 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 94.92 1.7827868 28.383352 20.348206 1 4070 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 92.58 2.6162448 27.277943 20.631926 1 4071 +ATOM N N . SER C0 3 99 . 99 SER C0 N 95.7 -1.1025362 27.04808 19.956299 1 4072 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 95.7 -1.8694261 25.839792 19.694918 1 4073 +ATOM C C . SER C0 3 99 . 99 SER C0 C 96.09 -2.294349 25.773232 18.230606 1 4074 +ATOM O O . SER C0 3 99 . 99 SER C0 O 96.09 -2.30768 26.789127 17.52698 1 4075 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 95.31 -3.1099422 25.758308 20.59019 1 4076 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 94.14 -4.053848 26.746912 20.240196 1 4077 +ATOM N N . THR C0 3 100 . 100 THR C0 N 96.09 -2.6075504 24.561478 17.798773 1 4078 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 95.7 -3.223084 24.340258 16.500515 1 4079 +ATOM C C . THR C0 3 100 . 100 THR C0 C 96.09 -4.4266243 23.426195 16.711973 1 4080 +ATOM O O . THR C0 3 100 . 100 THR C0 O 95.7 -4.337414 22.431587 17.441458 1 4081 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 95.31 -2.2567008 23.691086 15.489111 1 4082 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 92.58 -1.816692 22.430023 15.985456 1 4083 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 91.8 -1.0465887 24.586481 15.246585 1 4084 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 96.09 -5.5418367 23.781036 16.092726 1 4085 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 96.48 -6.7386394 22.95747 16.178837 1 4086 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 96.48 -7.2896075 22.741701 14.777344 1 4087 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 96.09 -7.425169 23.702728 14.0047245 1 4088 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 95.31 -7.797998 23.610035 17.079668 1 4089 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 91.8 -9.046051 22.76037 17.21396 1 4090 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 89.45 -9.9984455 23.22778 18.292072 1 4091 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 86.72 -9.820592 24.348904 18.8168 1 4092 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 85.94 -10.928738 22.46586 18.64328 1 4093 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 95.7 -7.597465 21.498257 14.474578 1 4094 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 95.7 -8.112871 21.135857 13.167796 1 4095 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 96.09 -9.410036 20.349102 13.311388 1 4096 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 95.7 -9.55454 19.536663 14.224907 1 4097 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 94.92 -7.0985136 20.293598 12.38703 1 4098 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 92.97 -5.818318 21.032019 12.024649 1 4099 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 93.36 -4.7185287 20.096605 11.572481 1 4100 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 91.02 -4.2161913 20.25349 10.442743 1 4101 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 91.41 -4.3721266 19.188335 12.358133 1 4102 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 95.31 -10.33691 20.590649 12.39905 1 4103 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 95.31 -11.547134 19.788616 12.277039 1 4104 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 95.31 -11.551391 19.155262 10.899133 1 4105 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 95.31 -11.086473 19.758839 9.927529 1 4106 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 94.92 -12.804057 20.640213 12.495 1 4107 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 92.19 -12.937466 21.179062 13.911852 1 4108 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 89.84 -14.255759 21.914268 14.10231 1 4109 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 85.55 -14.382118 22.434315 15.5299425 1 4110 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 81.25 -15.650047 23.170986 15.737019 1 4111 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 94.53 -12.070066 17.930912 10.819857 1 4112 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 94.53 -11.98741 17.13358 9.600061 1 4113 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 94.53 -13.374376 16.779264 9.076713 1 4114 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 94.14 -14.298977 16.554949 9.863283 1 4115 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 94.14 -11.1809 15.8599205 9.863573 1 4116 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 93.75 -9.799843 16.1337 10.393685 1 4117 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 92.58 -9.6046 16.377337 11.750611 1 4118 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 92.19 -8.710585 16.177681 9.549415 1 4119 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 91.41 -8.335604 16.65861 12.236994 1 4120 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 91.02 -7.448801 16.45122 10.036369 1 4121 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 91.8 -7.2591877 16.689802 11.384567 1 4122 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 94.53 -13.499516 16.729115 7.7558193 1 4123 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 93.75 -14.773706 16.35146 7.1607924 1 4124 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 93.75 -14.865179 14.831047 7.0140595 1 4125 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 93.36 -13.959988 14.101655 7.425809 1 4126 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 92.58 -14.999964 17.05999 5.817506 1 4127 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 92.19 -14.006765 16.650776 4.7388434 1 4128 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 91.02 -13.370856 15.597712 4.8285747 1 4129 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 89.45 -13.89373 17.481697 3.7134614 1 4130 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 91.8 -15.955704 14.331034 6.438614 1 4131 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 91.41 -16.1829 12.891703 6.3706627 1 4132 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 91.41 -15.177315 12.177646 5.471776 1 4133 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 90.23 -15.039238 10.962963 5.57143 1 4134 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 90.23 -17.617804 12.594996 5.9105296 1 4135 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 86.72 -17.935743 13.0903225 4.5124035 1 4136 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 84.38 -19.369928 12.788065 4.0922694 1 4137 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 81.64 -20.037544 12.000511 4.7801 1 4138 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 81.25 -19.824997 13.34858 3.0605612 1 4139 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 92.19 -14.4638 12.9255295 4.5985723 1 4140 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 92.19 -13.433076 12.331298 3.7577963 1 4141 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 92.19 -12.0691 12.284618 4.4473567 1 4142 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 91.02 -11.103271 11.792866 3.8732924 1 4143 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 91.8 -13.297516 13.108304 2.4456162 1 4144 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 91.02 -14.520607 13.037598 1.5455308 1 4145 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 90.23 -14.252278 13.785918 0.24169984 1 4146 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 88.28 -15.463571 13.721898 -0.6700417 1 4147 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 85.94 -15.19281 14.397549 -1.9535899 1 4148 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 91.41 -12.008623 12.825096 5.6825914 1 4149 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 91.41 -10.7473135 12.883418 6.392764 1 4150 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 91.41 -9.882075 14.064474 6.0039043 1 4151 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 91.02 -8.688427 14.0823345 6.3056774 1 4152 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 92.97 -10.476545 15.086373 5.3473306 1 4153 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 92.97 -9.7730875 16.287088 4.9323354 1 4154 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 93.75 -9.985598 17.39904 5.9519954 1 4155 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 92.97 -11.053339 17.499031 6.550983 1 4156 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 91.8 -10.281059 16.758965 3.5615008 1 4157 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 89.06 -10.159352 15.7056 2.4707656 1 4158 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 87.5 -11.0030155 16.019403 1.2422538 1 4159 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 85.16 -10.747829 15.403184 0.18908703 1 4160 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 85.16 -11.914905 16.85833 1.3274822 1 4161 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 93.75 -8.9717 18.24442 6.1311464 1 4162 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 94.14 -9.1101055 19.373047 7.039536 1 4163 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 94.53 -10.163578 20.329271 6.486534 1 4164 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 94.14 -10.073639 20.765165 5.333573 1 4165 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 93.36 -7.776457 20.117716 7.23034 1 4166 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 91.8 -7.980474 21.352762 8.103699 1 4167 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 90.62 -6.7384424 19.197365 7.859454 1 4168 +ATOM N N . SER C0 3 111 . 111 SER C0 N 95.31 -11.156568 20.657196 7.296356 1 4169 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 95.31 -12.197028 21.596172 6.8996935 1 4170 +ATOM C C . SER C0 3 111 . 111 SER C0 C 95.7 -12.072481 22.93082 7.622385 1 4171 +ATOM O O . SER C0 3 111 . 111 SER C0 O 95.31 -12.510735 23.956314 7.101436 1 4172 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 94.53 -13.586864 21.002726 7.1623144 1 4173 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 91.8 -13.759066 20.68996 8.529001 1 4174 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 96.09 -11.477686 22.93903 8.819183 1 4175 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 96.09 -11.230564 24.144966 9.594343 1 4176 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 96.09 -9.884391 24.01122 10.28993 1 4177 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 96.09 -9.481956 22.911495 10.666063 1 4178 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 95.31 -12.321132 24.368774 10.659659 1 4179 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 92.19 -13.733276 24.46806 10.095293 1 4180 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 91.02 -14.787144 24.664 11.17524 1 4181 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 88.28 -15.975367 24.435528 10.900284 1 4182 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 87.89 -14.418268 25.049114 12.308597 1 4183 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 96.88 -9.215064 25.16169 10.461798 1 4184 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 96.48 -7.943391 25.146858 11.166765 1 4185 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 97.27 -7.7388372 26.476772 11.874729 1 4186 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 96.88 -7.962085 27.53962 11.284297 1 4187 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 95.7 -6.775362 24.877415 10.20436 1 4188 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 92.97 -5.4208922 24.742855 10.893293 1 4189 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 91.02 -4.343713 24.346268 9.887837 1 4190 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 87.89 -3.0025182 24.130117 10.574439 1 4191 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 84.77 -1.9767938 23.707829 9.610179 1 4192 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 96.88 -7.3526917 26.418245 13.139619 1 4193 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 96.88 -7.057833 27.61416 13.92285 1 4194 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 96.88 -5.6482687 27.487568 14.480633 1 4195 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 96.88 -5.3312793 26.503036 15.148981 1 4196 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 96.48 -8.062338 27.805433 15.083729 1 4197 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 95.7 -9.491062 27.919405 14.539779 1 4198 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 95.7 -7.6959476 29.054089 15.904909 1 4199 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 92.58 -10.55131 27.971338 15.628408 1 4200 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 96.48 -4.816289 28.490211 14.179709 1 4201 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 96.09 -3.4713223 28.557806 14.726768 1 4202 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 96.88 -3.4350195 29.71463 15.722292 1 4203 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 96.48 -3.6471448 30.866125 15.340485 1 4204 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 95.7 -2.4145699 28.77518 13.622639 1 4205 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 93.75 -2.4827497 27.63641 12.601732 1 4206 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 93.75 -1.0178704 28.900694 14.238567 1 4207 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 91.02 -1.650066 27.893015 11.3510275 1 4208 +ATOM N N . THR C0 3 116 . 116 THR C0 N 96.09 -3.1975803 29.39964 16.981705 1 4209 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 96.09 -3.0755568 30.419945 18.017597 1 4210 +ATOM C C . THR C0 3 116 . 116 THR C0 C 96.09 -1.5997459 30.616814 18.333187 1 4211 +ATOM O O . THR C0 3 116 . 116 THR C0 O 95.7 -0.9092682 29.671156 18.704695 1 4212 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 95.7 -3.8504205 30.023876 19.282936 1 4213 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 93.75 -5.229004 29.823406 18.955658 1 4214 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 93.36 -3.7396355 31.114271 20.349516 1 4215 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 95.31 -1.1233765 31.85661 18.154224 1 4216 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 95.31 0.26400447 32.16589 18.440727 1 4217 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 94.92 0.46791613 32.4171 19.928415 1 4218 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 94.14 -0.49313343 32.659523 20.666065 1 4219 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 94.92 0.7012667 33.39268 17.631958 1 4220 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 94.14 0.61960727 33.176384 16.134346 1 4221 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 93.36 0.56532085 34.514435 15.435869 1 4222 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 92.19 0.6358683 34.39347 13.978228 1 4223 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 92.19 0.07643784 35.253006 13.14026 1 4224 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 90.23 -0.61605 36.29035 13.605502 1 4225 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 90.62 0.20580623 35.079712 11.840469 1 4226 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 94.53 1.7247002 32.373432 20.362528 1 4227 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 93.75 2.0225677 32.550533 21.783401 1 4228 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 94.14 1.5420339 33.902054 22.304184 1 4229 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 93.36 1.2060057 34.02587 23.486246 1 4230 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 93.75 3.5166752 32.38854 22.02813 1 4231 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 94.14 1.5028235 34.924755 21.41964 1 4232 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 93.75 1.0695827 36.254173 21.846355 1 4233 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 93.75 -0.44930357 36.426857 21.823978 1 4234 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 93.36 -0.9454478 37.52195 22.09465 1 4235 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 93.75 1.7392215 37.342903 20.997723 1 4236 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 93.36 1.3395063 37.295937 19.537327 1 4237 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 92.19 0.45924863 36.48504 19.161709 1 4238 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 91.02 1.9037815 38.07803 18.748154 1 4239 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 94.92 -1.1823902 35.3755 21.519772 1 4240 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 94.53 -2.635593 35.41089 21.535656 1 4241 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 94.92 -3.2853897 35.747753 20.212082 1 4242 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 94.53 -4.5081005 35.62819 20.08483 1 4243 +ATOM N N . THR C0 3 121 . 121 THR C0 N 95.7 -2.5031424 36.18481 19.210209 1 4244 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 96.09 -3.0834255 36.42773 17.897068 1 4245 +ATOM C C . THR C0 3 121 . 121 THR C0 C 96.48 -3.35246 35.098587 17.208107 1 4246 +ATOM O O . THR C0 3 121 . 121 THR C0 O 96.48 -2.7483785 34.068058 17.546282 1 4247 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 95.31 -2.1716762 37.319534 17.024715 1 4248 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 93.75 -0.9319397 36.646767 16.802284 1 4249 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 92.97 -1.9039865 38.652397 17.715591 1 4250 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 96.88 -4.2598214 35.133263 16.216238 1 4251 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 96.88 -4.7001567 33.88039 15.614977 1 4252 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 96.88 -4.8077126 33.97724 14.101718 1 4253 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 96.48 -5.098613 35.053535 13.554914 1 4254 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 96.09 -6.079338 33.47164 16.153454 1 4255 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 92.58 -6.1612597 33.317093 17.65495 1 4256 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 91.02 -7.4724865 32.67351 18.073261 1 4257 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 87.5 -8.666624 33.39691 17.617561 1 4258 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 86.33 -9.157608 34.493515 18.198383 1 4259 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 83.2 -8.562071 35.021374 19.264809 1 4260 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 83.2 -10.249641 35.05916 17.71192 1 4261 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 96.88 -4.583486 32.84881 13.458918 1 4262 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 97.27 -4.942523 32.64853 12.062113 1 4263 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 97.27 -6.072233 31.630985 12.042417 1 4264 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 97.27 -5.9385366 30.544857 12.620369 1 4265 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 96.48 -3.753074 32.13192 11.23636 1 4266 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 94.92 -2.6483169 33.14464 10.933683 1 4267 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 93.36 -1.4191817 32.421272 10.383167 1 4268 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 92.58 -3.1574814 34.173203 9.933429 1 4269 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 97.27 -7.183766 31.987469 11.40237 1 4270 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 97.27 -8.34753 31.11298 11.355894 1 4271 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 97.66 -8.698106 30.79697 9.908154 1 4272 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 97.27 -8.794207 31.705584 9.078513 1 4273 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 96.88 -9.550743 31.761932 12.04503 1 4274 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 94.92 -9.300663 32.090366 13.50996 1 4275 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 94.53 -10.49834 32.747303 14.182446 1 4276 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 92.58 -10.386671 33.10248 15.375705 1 4277 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 92.19 -11.550568 32.903214 13.530045 1 4278 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 97.27 -8.871113 29.51157 9.622505 1 4279 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 96.88 -9.222685 29.06109 8.281601 1 4280 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 97.27 -10.523235 28.26671 8.332194 1 4281 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 96.48 -10.683039 27.395672 9.189723 1 4282 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 96.88 -8.109018 28.201002 7.690591 1 4283 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 96.48 -6.759476 28.887672 7.693553 1 4284 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 94.53 -5.7705503 28.528524 8.603853 1 4285 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 94.53 -6.479261 29.905197 6.7907677 1 4286 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 93.75 -4.534479 29.158886 8.607438 1 4287 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 93.75 -5.245178 30.539694 6.791389 1 4288 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 94.92 -4.2796936 30.158377 7.7011175 1 4289 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 94.14 -3.0576031 30.783056 7.70255 1 4290 +ATOM N N . THR C0 3 126 . 126 THR C0 N 96.88 -11.429029 28.55994 7.420795 1 4291 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 96.88 -12.687069 27.83271 7.322283 1 4292 +ATOM C C . THR C0 3 126 . 126 THR C0 C 96.88 -12.960021 27.485558 5.8628674 1 4293 +ATOM O O . THR C0 3 126 . 126 THR C0 O 96.09 -12.37949 28.075361 4.9491673 1 4294 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 96.09 -13.867966 28.647392 7.890335 1 4295 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 94.53 -13.953769 29.893562 7.2003927 1 4296 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 93.36 -13.692829 28.905354 9.381863 1 4297 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 96.09 -13.83838 26.510862 5.6599236 1 4298 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 95.7 -14.193432 26.096836 4.3156223 1 4299 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 95.7 -13.008737 25.606031 3.5034142 1 4300 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 95.31 -12.947338 25.843716 2.2977138 1 4301 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 94.53 -12.068106 24.92712 4.165603 1 4302 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 94.53 -10.883861 24.438522 3.4688907 1 4303 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 94.14 -11.285836 23.29737 2.530988 1 4304 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 93.36 -11.972 22.356222 2.930564 1 4305 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 94.92 -9.81017 23.968197 4.4629955 1 4306 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 94.53 -9.406973 25.120525 5.3879724 1 4307 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 94.14 -8.585327 23.439726 3.6965582 1 4308 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 93.75 -8.4979 24.695545 6.530094 1 4309 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 93.36 -10.847176 23.405907 1.2934108 1 4310 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 92.58 -11.157635 22.401539 0.28363615 1 4311 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 92.58 -9.974596 21.458115 0.08619532 1 4312 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 91.41 -8.89804 21.659435 0.6456357 1 4313 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 91.8 -11.544956 23.07696 -1.0316314 1 4314 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 87.89 -12.728215 24.014475 -0.8775227 1 4315 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 83.98 -13.145252 24.643806 -2.1721034 1 4316 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 79.69 -14.261915 25.651962 -1.9752581 1 4317 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 74.61 -15.485444 25.030544 -1.4318886 1 4318 +ATOM N N . SER C0 3 130 . 130 SER C0 N 90.62 -10.173214 20.415028 -0.7190218 1 4319 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 89.45 -9.157393 19.381937 -0.8864483 1 4320 +ATOM C C . SER C0 3 130 . 130 SER C0 C 89.84 -7.851525 19.920052 -1.4649804 1 4321 +ATOM O O . SER C0 3 130 . 130 SER C0 O 88.28 -6.793718 19.337093 -1.2284667 1 4322 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 88.28 -9.692576 18.253647 -1.765398 1 4323 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 85.55 -10.01796 18.726017 -3.0518491 1 4324 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 90.62 -7.9125443 21.032406 -2.2263336 1 4325 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 90.23 -6.700571 21.613947 -2.7882361 1 4326 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 90.23 -6.0220957 22.591278 -1.8294997 1 4327 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 89.06 -5.049268 23.237553 -2.200914 1 4328 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 89.45 -6.9874926 22.29965 -4.128907 1 4329 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 89.45 -7.9200783 23.500675 -3.9989285 1 4330 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 88.28 -8.354441 23.821793 -2.8684897 1 4331 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 86.33 -8.211025 24.122461 -5.03705 1 4332 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 93.36 -6.537897 22.694649 -0.6146605 1 4333 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 92.97 -5.9540544 23.553722 0.39472145 1 4334 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 94.14 -6.4715924 24.973396 0.3997556 1 4335 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 93.36 -6.0015397 25.779015 1.211841 1 4336 +ATOM N N . SER C0 3 133 . 133 SER C0 N 95.7 -7.4159403 25.328733 -0.47045755 1 4337 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 95.7 -7.9655485 26.67474 -0.5136118 1 4338 +ATOM C C . SER C0 3 133 . 133 SER C0 C 96.09 -9.109594 26.824646 0.48225716 1 4339 +ATOM O O . SER C0 3 133 . 133 SER C0 O 95.31 -9.740566 25.84082 0.8848155 1 4340 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 94.92 -8.44252 27.02243 -1.9268541 1 4341 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 91.8 -9.545899 26.22453 -2.2980945 1 4342 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 96.48 -9.346754 28.078573 0.8712821 1 4343 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 96.88 -10.426425 28.346333 1.8066258 1 4344 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 96.88 -10.448562 29.807182 2.2033794 1 4345 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 96.88 -9.769749 30.642588 1.5990703 1 4346 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 97.27 -11.243734 30.134268 3.2179956 1 4347 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 97.27 -11.313124 31.484924 3.7570095 1 4348 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 97.27 -10.310165 31.639496 4.8843136 1 4349 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 97.27 -9.966566 30.656002 5.5648212 1 4350 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 96.48 -12.724937 31.783993 4.2705927 1 4351 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 91.8 -13.799615 31.749472 3.207965 1 4352 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 88.67 -15.150303 32.139984 3.787663 1 4353 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 82.42 -16.246693 32.137115 2.734799 1 4354 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 77.73 -16.598602 30.756104 2.3186574 1 4355 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 97.66 -9.841069 32.87583 5.101361 1 4356 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 97.66 -8.840838 33.11593 6.1315236 1 4357 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 97.66 -9.153141 34.386032 6.916199 1 4358 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 97.66 -9.683057 35.355232 6.3709908 1 4359 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 97.27 -7.446684 33.211746 5.514806 1 4360 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 97.66 -8.815961 34.369278 8.190938 1 4361 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 97.27 -8.870767 35.534576 9.056967 1 4362 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 97.27 -7.5933385 35.577908 9.87162 1 4363 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 97.27 -7.104785 34.538925 10.318285 1 4364 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 97.27 -10.055567 35.471508 10.037063 1 4365 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 92.97 -11.430786 35.62089 9.446346 1 4366 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 91.02 -12.463696 35.61064 10.57905 1 4367 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 86.72 -13.87635 35.77237 10.052347 1 4368 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 82.81 -14.853821 35.766136 11.179185 1 4369 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 96.88 -7.0706882 36.793514 10.071781 1 4370 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 97.27 -6.0026536 36.96555 11.0424595 1 4371 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 97.27 -6.536277 37.85486 12.154773 1 4372 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 97.27 -6.864191 39.024075 11.910261 1 4373 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 96.88 -4.7437468 37.5774 10.415306 1 4374 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 95.7 -3.5923278 37.649136 11.425 1 4375 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 94.92 -2.28257 38.127563 10.846089 1 4376 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 92.97 -2.2946157 39.08412 10.055967 1 4377 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 92.58 -1.2297851 37.548676 11.18722 1 4378 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 96.88 -6.6556864 37.30652 13.326755 1 4379 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 96.48 -7.166236 38.038994 14.476152 1 4380 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 96.48 -5.980576 38.646397 15.215714 1 4381 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 95.7 -5.2171097 37.937355 15.875515 1 4382 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 96.48 -7.990923 37.12471 15.40897 1 4383 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 94.53 -8.576889 37.935287 16.554369 1 4384 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 94.14 -9.090025 36.425667 14.619629 1 4385 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 95.7 -5.8080297 39.940964 15.044053 1 4386 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 95.31 -4.686846 40.65528 15.640195 1 4387 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 94.53 -5.1299863 41.342167 16.926529 1 4388 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 93.36 -6.1965914 41.043015 17.466621 1 4389 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 95.31 -4.1176004 41.665688 14.632935 1 4390 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 94.53 -3.5248044 41.037186 13.379716 1 4391 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 92.97 -3.3629248 42.05569 12.2582655 1 4392 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 92.19 -2.1866632 40.38147 13.702398 1 4393 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 93.75 -4.333025 42.25393 17.419186 1 4394 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 92.19 -4.663468 42.933712 18.665678 1 4395 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 92.19 -5.6795115 44.044838 18.404385 1 4396 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 89.84 -5.3245144 45.141754 17.977589 1 4397 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 89.84 -3.4014337 43.496613 19.322582 1 4398 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 83.98 -2.3764307 42.43169 19.679094 1 4399 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 78.91 -1.1214168 43.0456 20.27306 1 4400 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 75.0 -0.087030545 41.969204 20.552628 1 4401 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 69.14 1.1653028 42.538784 21.094995 1 4402 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 93.36 -6.9317055 43.7285 18.608036 1 4403 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 92.97 -7.9905357 44.71232 18.48751 1 4404 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 93.75 -8.673385 44.80048 17.144655 1 4405 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 92.58 -9.646182 45.553814 17.010307 1 4406 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 95.31 -8.209527 44.079224 16.143078 1 4407 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 95.7 -8.869846 44.109886 14.8404875 1 4408 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 95.7 -8.59499 42.83304 14.071844 1 4409 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 95.31 -7.7205033 42.04196 14.4486685 1 4410 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 94.92 -8.459486 45.34765 14.023435 1 4411 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 94.53 -6.988319 45.42868 13.683311 1 4412 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 92.58 -6.057699 45.852985 14.622995 1 4413 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 91.8 -6.540861 45.1171 12.408846 1 4414 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 91.02 -4.718307 45.94924 14.307653 1 4415 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 90.62 -5.202637 45.21608 12.085976 1 4416 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 91.8 -4.293516 45.62983 13.037633 1 4417 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 91.41 -2.9669838 45.726673 12.720232 1 4418 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 96.88 -9.325464 42.64798 12.982509 1 4419 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 96.48 -9.272585 41.417053 12.202217 1 4420 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 96.48 -9.039377 41.7458 10.728049 1 4421 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 96.09 -9.65731 42.668365 10.183357 1 4422 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 96.48 -10.580302 40.609734 12.360847 1 4423 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 93.75 -10.562906 39.3677 11.480548 1 4424 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 92.97 -10.802038 40.228127 13.816636 1 4425 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 97.27 -8.130063 41.004326 10.10812 1 4426 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 97.27 -7.941249 41.063736 8.666107 1 4427 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 97.27 -8.562106 39.818054 8.057884 1 4428 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 96.88 -8.451932 38.7241 8.622009 1 4429 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 96.48 -6.4522552 41.13359 8.299551 1 4430 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 94.53 -5.6441336 42.272842 8.922448 1 4431 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 92.19 -4.2096024 42.219204 8.423563 1 4432 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 91.41 -6.26552 43.621563 8.6205225 1 4433 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 97.66 -9.197706 39.96821 6.90089 1 4434 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 97.27 -9.861652 38.852226 6.247017 1 4435 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 97.27 -9.329102 38.66185 4.8341074 1 4436 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 96.88 -8.887592 39.610977 4.190572 1 4437 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 96.48 -11.375283 39.069344 6.213827 1 4438 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 91.41 -12.009386 39.11996 7.589982 1 4439 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 88.28 -13.524979 39.143253 7.533373 1 4440 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 85.16 -14.150371 38.12232 7.850682 1 4441 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 84.77 -14.082917 40.190117 7.1674776 1 4442 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 97.27 -9.375843 37.4089 4.3872623 1 4443 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 97.27 -8.890214 37.112938 3.055027 1 4444 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 97.27 -9.096979 35.66832 2.6732864 1 4445 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 96.88 -10.110558 35.06572 3.030579 1 4446 +ATOM N N . THR C0 3 148 . 148 THR C0 N 97.27 -8.125029 35.132675 1.9531878 1 4447 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 97.27 -8.253074 33.774666 1.44205 1 4448 +ATOM C C . THR C0 3 148 . 148 THR C0 C 97.27 -6.990469 32.953083 1.7043897 1 4449 +ATOM O O . THR C0 3 148 . 148 THR C0 O 96.88 -5.9058523 33.49793 1.8988222 1 4450 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 96.48 -8.545349 33.76741 -0.06908265 1 4451 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 92.19 -7.4737883 34.428406 -0.7503015 1 4452 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 91.41 -9.851356 34.483032 -0.38014263 1 4453 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 96.88 -7.1839848 31.646996 1.7133167 1 4454 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 96.88 -6.102113 30.67821 1.8080461 1 4455 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 96.88 -5.9677486 29.96637 0.46868712 1 4456 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 96.48 -6.9734206 29.5499 -0.11087799 1 4457 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 96.09 -6.39652 29.66925 2.9177337 1 4458 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 95.31 -5.476 28.453232 3.0232458 1 4459 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 94.14 -6.0900097 27.413067 3.9543562 1 4460 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 93.75 -4.090432 28.866413 3.489808 1 4461 +ATOM N N . THR C0 3 150 . 150 THR C0 N 95.31 -4.7581882 29.867054 -0.033330522 1 4462 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 94.92 -4.457196 29.009056 -1.1742041 1 4463 +ATOM C C . THR C0 3 150 . 150 THR C0 C 94.14 -3.5153775 27.913734 -0.68899524 1 4464 +ATOM O O . THR C0 3 150 . 150 THR C0 O 92.97 -3.0943506 27.909782 0.4701317 1 4465 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 94.14 -3.8081522 29.786755 -2.333756 1 4466 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 91.02 -2.4984047 30.197426 -1.9509559 1 4467 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 89.45 -4.6456404 31.006653 -2.7089086 1 4468 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 91.41 -3.184629 26.984177 -1.5786209 1 4469 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 90.62 -2.289057 25.902401 -1.1949472 1 4470 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 91.41 -0.9136776 26.42177 -0.7916587 1 4471 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 89.84 -0.18863373 25.749811 -0.05955474 1 4472 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 88.67 -2.1507144 24.901682 -2.3417478 1 4473 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 92.19 -0.5639653 27.62856 -1.2455394 1 4474 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 92.19 0.7635077 28.173258 -1.0298703 1 4475 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 93.36 0.8235582 29.251501 0.05331399 1 4476 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 92.58 1.8390627 29.374722 0.74834657 1 4477 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 90.23 1.3263013 28.733604 -2.3338752 1 4478 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 84.38 2.7787538 29.235565 -2.2362185 1 4479 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 79.69 3.76135 28.131432 -1.9042981 1 4480 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 75.39 3.4594848 26.948633 -2.1799598 1 4481 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 73.44 4.8372946 28.433905 -1.3570311 1 4482 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 96.09 -0.23529702 30.052078 0.20194665 1 4483 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 96.09 -0.14448446 31.177244 1.1326504 1 4484 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 96.48 -1.5149429 31.667126 1.584206 1 4485 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 96.09 -2.5403638 31.359886 0.9795624 1 4486 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 94.92 0.61616284 32.335693 0.48918194 1 4487 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 92.97 -0.0878341 32.941177 -0.7190029 1 4488 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 91.02 0.7415963 34.0491 -1.3369594 1 4489 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 87.5 0.048950233 34.598003 -2.5757704 1 4490 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 83.2 0.8488093 35.65891 -3.2100453 1 4491 +ATOM N N . THR C0 3 154 . 154 THR C0 N 96.88 -1.4654555 32.455547 2.6516047 1 4492 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 97.27 -2.6317255 33.178375 3.1383562 1 4493 +ATOM C C . THR C0 3 154 . 154 THR C0 C 97.27 -2.532075 34.60857 2.618084 1 4494 +ATOM O O . THR C0 3 154 . 154 THR C0 O 96.88 -1.4716802 35.23327 2.722342 1 4495 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 97.27 -2.6709461 33.192905 4.6787004 1 4496 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 95.31 -2.715861 31.85514 5.166689 1 4497 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 95.31 -3.864278 33.976143 5.2027187 1 4498 +ATOM N N . THR C0 3 155 . 155 THR C0 N 97.27 -3.6144202 35.13843 2.0421908 1 4499 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 97.66 -3.63673 36.509045 1.5503201 1 4500 +ATOM C C . THR C0 3 155 . 155 THR C0 C 97.66 -4.7492375 37.269398 2.2730267 1 4501 +ATOM O O . THR C0 3 155 . 155 THR C0 O 97.27 -5.9220953 36.91962 2.148099 1 4502 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 97.27 -3.8598855 36.55915 0.032046013 1 4503 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 93.75 -2.7981293 35.86151 -0.6199918 1 4504 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 93.36 -3.8883955 38.004433 -0.46053818 1 4505 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 97.66 -4.3613935 38.31122 3.0283892 1 4506 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 97.66 -5.296651 39.116447 3.8029826 1 4507 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 97.66 -5.3808155 40.494644 3.1649823 1 4508 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 97.27 -4.347513 41.12711 2.90843 1 4509 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 97.27 -4.8413615 39.19745 5.2584734 1 4510 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 96.48 -4.696566 37.81934 5.913241 1 4511 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 94.92 -3.6838264 37.84658 7.0380073 1 4512 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 94.53 -6.0420117 37.303 6.370489 1 4513 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 97.27 -6.5980535 40.978653 2.919726 1 4514 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 97.27 -6.8031473 42.16415 2.099981 1 4515 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 96.88 -7.4813805 43.288406 2.8892746 1 4516 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 96.48 -8.437527 43.049847 3.6299078 1 4517 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 96.48 -7.6347237 41.82603 0.8473055 1 4518 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 93.36 -7.9492836 43.079613 0.042985875 1 4519 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 92.58 -6.893146 40.811104 -0.014964541 1 4520 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 96.88 -6.975548 44.511055 2.704996 1 4521 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 97.27 -7.597012 45.71568 3.243171 1 4522 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 96.88 -7.8344603 46.661648 2.0715208 1 4523 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 96.88 -6.8968883 46.972397 1.325022 1 4524 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 96.09 -6.7173347 46.398335 4.305072 1 4525 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 93.36 -7.4082813 47.64235 4.850499 1 4526 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 92.58 -6.3766956 45.430183 5.4262166 1 4527 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 96.48 -9.061194 47.117233 1.9049152 1 4528 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 95.7 -9.410659 48.001842 0.7989912 1 4529 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 96.09 -9.765731 49.402313 1.3079975 1 4530 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 94.53 -10.467281 49.543724 2.3136005 1 4531 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 94.92 -10.587439 47.4397 -0.001557082 1 4532 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 89.06 -10.299108 46.11381 -0.67382765 1 4533 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 85.16 -11.521563 45.619663 -1.4438772 1 4534 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 80.86 -11.239634 44.276775 -2.0937114 1 4535 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 75.39 -12.434084 43.761658 -2.8123891 1 4536 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 95.31 -9.274431 50.42225 0.6021476 1 4537 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 95.31 -9.601883 51.820786 0.89445966 1 4538 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 95.7 -9.634466 52.569916 -0.4320148 1 4539 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 94.92 -8.59342 52.850224 -1.0144384 1 4540 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 94.14 -8.592651 52.442062 1.8454609 1 4541 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 91.02 -8.852874 53.91441 2.1505835 1 4542 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 89.06 -10.192741 54.181843 2.7896771 1 4543 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 85.94 -10.72042 53.314613 3.5194285 1 4544 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 85.16 -10.746312 55.277763 2.5579038 1 4545 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 94.92 -10.848927 52.876587 -0.89926934 1 4546 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 94.53 -10.994005 53.525272 -2.1869867 1 4547 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 95.31 -10.471127 52.644848 -3.3041155 1 4548 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 94.14 -10.856735 51.48061 -3.4293628 1 4549 +ATOM N N . THR C0 3 162 . 162 THR C0 N 95.7 -9.547859 53.193295 -4.1058526 1 4550 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 95.7 -8.947847 52.436058 -5.204048 1 4551 +ATOM C C . THR C0 3 162 . 162 THR C0 C 96.48 -7.7395115 51.613995 -4.7642417 1 4552 +ATOM O O . THR C0 3 162 . 162 THR C0 O 95.7 -7.1485605 50.90426 -5.593765 1 4553 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 95.31 -8.512565 53.38272 -6.339765 1 4554 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 92.97 -7.561232 54.324158 -5.825997 1 4555 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 92.19 -9.701137 54.15341 -6.9161997 1 4556 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 96.48 -7.386574 51.720497 -3.488451 1 4557 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 96.48 -6.175414 51.074482 -2.9879074 1 4558 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 96.48 -6.5106344 49.735023 -2.3278081 1 4559 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 96.09 -7.4362583 49.64584 -1.5186058 1 4560 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 96.09 -5.431418 51.983208 -1.9892478 1 4561 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 93.36 -4.170449 51.30758 -1.4757254 1 4562 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 92.58 -5.0998425 53.33017 -2.6248076 1 4563 +ATOM N N . THR C0 3 164 . 164 THR C0 N 96.48 -5.743902 48.699493 -2.6810951 1 4564 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 96.48 -5.8652763 47.387558 -2.0555599 1 4565 +ATOM C C . THR C0 3 164 . 164 THR C0 C 96.48 -4.5056047 46.988297 -1.4967334 1 4566 +ATOM O O . THR C0 3 164 . 164 THR C0 O 96.09 -3.5260391 46.914505 -2.2378068 1 4567 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 96.09 -6.3536205 46.333626 -3.0546625 1 4568 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 91.41 -7.6456594 46.703735 -3.547658 1 4569 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 91.02 -6.4398413 44.965004 -2.4086027 1 4570 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 97.27 -4.4633727 46.734135 -0.18083555 1 4571 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 96.88 -3.2575188 46.227753 0.45752245 1 4572 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 96.88 -3.430385 44.73385 0.6848222 1 4573 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 96.88 -4.461362 44.297325 1.2066544 1 4574 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 96.48 -3.005925 46.941307 1.7892461 1 4575 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 94.53 -1.7669027 46.536037 2.5684307 1 4576 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 92.58 -1.1086656 47.752186 3.2186506 1 4577 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 91.8 -2.0991213 45.473537 3.6228461 1 4578 +ATOM N N . SER C0 3 166 . 166 SER C0 N 97.27 -2.4437058 43.94413 0.26671523 1 4579 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 97.27 -2.485714 42.495514 0.43255544 1 4580 +ATOM C C . SER C0 3 166 . 166 SER C0 C 97.27 -1.3318741 42.04769 1.3200681 1 4581 +ATOM O O . SER C0 3 166 . 166 SER C0 O 96.88 -0.16737708 42.234344 0.9678223 1 4582 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 96.48 -2.4150503 41.793022 -0.9217254 1 4583 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 90.23 -3.52001 42.143105 -1.7325182 1 4584 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 97.66 -1.6684136 41.46279 2.456837 1 4585 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 97.27 -0.6692699 40.89972 3.357296 1 4586 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 97.27 -0.6078379 39.397873 3.1185122 1 4587 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 97.27 -1.6178191 38.69893 3.278119 1 4588 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 96.48 -1.0203307 41.18813 4.823854 1 4589 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 96.09 -0.055590287 40.575264 5.817465 1 4590 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 94.53 -0.5010077 40.85029 7.245513 1 4591 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 93.36 0.4339727 40.176277 8.242288 1 4592 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 91.41 -0.002581615 40.42131 9.619501 1 4593 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 97.27 0.5448139 38.910233 2.7211616 1 4594 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 96.88 0.7364199 37.494835 2.4271705 1 4595 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 96.48 1.5265763 36.809593 3.5378692 1 4596 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 96.09 2.5512383 37.32026 3.9815745 1 4597 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 96.88 1.4634974 37.317684 1.0933385 1 4598 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 93.75 0.7105433 37.929916 -0.060567264 1 4599 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 90.23 -0.51436055 37.805134 -0.15141071 1 4600 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 89.84 1.4070448 38.599255 -0.95703626 1 4601 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 96.48 1.0289342 35.66311 3.9939423 1 4602 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 96.48 1.7307794 34.83913 4.9750857 1 4603 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 96.48 2.012339 33.494076 4.3174005 1 4604 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 95.7 1.0798724 32.749344 3.997724 1 4605 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 96.48 0.9025886 34.649914 6.2643194 1 4606 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 94.92 0.49856007 36.01123 6.8409305 1 4607 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 94.92 1.7013618 33.852734 7.2945247 1 4608 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 92.58 -0.44449335 35.927803 8.027264 1 4609 +ATOM N N . SER C0 3 170 . 170 SER C0 N 94.92 3.2825053 33.20053 4.087741 1 4610 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 94.53 3.6656034 31.965698 3.4089026 1 4611 +ATOM C C . SER C0 3 170 . 170 SER C0 C 94.53 3.5045357 30.755314 4.331768 1 4612 +ATOM O O . SER C0 3 170 . 170 SER C0 O 93.75 3.2368827 30.897537 5.5227127 1 4613 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 93.75 5.111245 32.06179 2.9162188 1 4614 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 90.23 6.0068913 32.00116 4.01003 1 4615 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 92.19 3.6819148 29.564362 3.7681365 1 4616 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 91.02 3.5944622 28.331951 4.5552764 1 4617 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 91.41 4.6391172 28.312328 5.666646 1 4618 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 89.84 4.4182916 27.704765 6.7099133 1 4619 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 89.45 3.7755122 27.111996 3.655912 1 4620 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 84.38 2.5926533 26.853146 2.7227106 1 4621 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 80.47 1.3806988 26.368736 3.4978838 1 4622 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 75.39 0.24049965 25.988598 2.5524514 1 4623 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 68.75 -0.9499415 25.518581 3.2979012 1 4624 +ATOM N N . SER C0 3 172 . 172 SER C0 N 91.8 5.7755065 28.989847 5.4493484 1 4625 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 90.23 6.8277187 29.05367 6.455101 1 4626 +ATOM C C . SER C0 3 172 . 172 SER C0 C 90.62 6.5818996 30.140741 7.495304 1 4627 +ATOM O O . SER C0 3 172 . 172 SER C0 O 89.06 7.3550825 30.267084 8.45107 1 4628 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 89.06 8.18688 29.28442 5.789179 1 4629 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 86.72 8.236272 30.54774 5.163079 1 4630 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 91.41 5.526453 30.925549 7.325384 1 4631 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 90.62 5.2086835 31.997423 8.250462 1 4632 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 91.41 5.790724 33.341568 7.879489 1 4633 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 90.23 5.583931 34.316757 8.605638 1 4634 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 94.53 6.527008 33.42818 6.7628365 1 4635 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 94.14 7.1120963 34.689606 6.329674 1 4636 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 94.92 6.031768 35.626556 5.793821 1 4637 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 94.14 5.1210494 35.195816 5.089204 1 4638 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 92.58 8.178152 34.445843 5.2631207 1 4639 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 85.94 9.394055 33.700905 5.779998 1 4640 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 80.47 10.45582 33.522636 4.7106023 1 4641 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 76.56 11.503361 32.92295 5.01974 1 4642 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 74.61 10.257249 33.973804 3.5684452 1 4643 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 95.31 6.173339 36.911793 6.1293454 1 4644 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 95.7 5.1956882 37.91769 5.737894 1 4645 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 95.7 5.753227 38.777863 4.6058574 1 4646 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 95.31 6.924845 39.159607 4.623453 1 4647 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 94.92 4.803995 38.807922 6.9369545 1 4648 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 91.8 3.9098673 39.96611 6.488927 1 4649 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 91.02 4.106102 37.9818 8.007059 1 4650 +ATOM N N . SER C0 3 176 . 176 SER C0 N 96.88 4.925544 39.062878 3.6201303 1 4651 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 96.88 5.225683 40.040077 2.5836182 1 4652 +ATOM C C . SER C0 3 176 . 176 SER C0 C 97.27 3.9632087 40.84151 2.3242645 1 4653 +ATOM O O . SER C0 3 176 . 176 SER C0 O 96.48 2.8521132 40.332253 2.4955282 1 4654 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 95.7 5.7290297 39.377716 1.3019137 1 4655 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 89.84 4.719486 38.59082 0.71601903 1 4656 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 96.88 4.12782 42.10004 1.9480734 1 4657 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 96.88 2.9728367 42.966526 1.7537391 1 4658 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 96.88 3.0564916 43.63662 0.3855098 1 4659 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 96.09 4.1242228 44.10293 -0.023528397 1 4660 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 96.88 2.8634772 44.032425 2.8646579 1 4661 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 94.14 1.5893359 44.85399 2.7140875 1 4662 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 93.36 2.9012766 43.37327 4.241934 1 4663 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 96.88 1.9425272 43.672585 -0.31700116 1 4664 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 96.88 1.830496 44.300453 -1.6272318 1 4665 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 96.88 0.7304045 45.3593 -1.5956657 1 4666 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 96.48 -0.20062006 45.26908 -0.7985338 1 4667 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 96.09 1.5202408 43.2654 -2.7084818 1 4668 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 89.06 2.5671785 42.180305 -2.8497515 1 4669 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 84.77 2.128886 41.06002 -3.7750273 1 4670 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 81.64 2.9354334 40.139877 -4.012513 1 4671 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 80.86 0.9878242 41.09347 -4.2631044 1 4672 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 96.88 0.85617167 46.35428 -2.4798121 1 4673 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 96.48 -0.1528045 47.39427 -2.6050148 1 4674 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 96.48 -0.4849819 47.599915 -4.0746856 1 4675 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 95.31 0.4215669 47.699867 -4.9069796 1 4676 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 95.7 0.3325847 48.70887 -1.9798567 1 4677 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 93.75 -0.67492676 49.867195 -1.9192691 1 4678 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 91.41 -0.49483895 50.67663 -0.65161157 1 4679 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 91.02 -0.5750324 50.76055 -3.1562004 1 4680 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 96.88 -1.7673596 47.646317 -4.3857307 1 4681 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 96.09 -2.23634 47.900684 -5.7397337 1 4682 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 96.09 -3.236477 49.056255 -5.718995 1 4683 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 95.31 -4.1457725 49.076824 -4.892146 1 4684 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 94.53 -2.8864715 46.653004 -6.3373804 1 4685 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 87.89 -3.443153 46.89718 -7.7239265 1 4686 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 83.2 -2.7130885 47.323597 -8.619893 1 4687 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 81.64 -4.709704 46.641594 -7.9308777 1 4688 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 96.09 -3.034348 50.023582 -6.606984 1 4689 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 96.09 -3.9238129 51.17365 -6.7192335 1 4690 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 95.7 -4.4165792 51.26837 -8.159683 1 4691 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 94.92 -3.6049604 51.383907 -9.082857 1 4692 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 95.7 -3.191977 52.461395 -6.3094406 1 4693 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 95.31 -4.118861 53.65869 -6.1616917 1 4694 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 93.36 -5.3224587 53.547173 -6.503501 1 4695 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 92.19 -3.6513538 54.724937 -5.7073874 1 4696 +ATOM N N . THR C0 3 182 . 182 THR C0 N 96.09 -5.725912 51.217957 -8.3590145 1 4697 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 95.31 -6.2920036 51.269028 -9.705687 1 4698 +ATOM C C . THR C0 3 182 . 182 THR C0 C 95.31 -6.4240437 52.695927 -10.235554 1 4699 +ATOM O O . THR C0 3 182 . 182 THR C0 O 93.75 -6.8355765 52.90001 -11.383209 1 4700 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 94.92 -7.6754003 50.590042 -9.741343 1 4701 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 92.58 -8.531951 51.223724 -8.791178 1 4702 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 91.41 -7.5589395 49.115643 -9.410815 1 4703 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 94.53 -6.075527 53.705734 -9.411522 1 4704 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 94.14 -6.1031632 55.10601 -9.842007 1 4705 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 94.14 -5.118243 55.28993 -10.993628 1 4706 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 92.97 -3.9402096 54.951492 -10.861243 1 4707 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 93.36 -5.735235 56.016716 -8.669535 1 4708 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 91.02 -6.0228934 57.485374 -8.931688 1 4709 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 89.06 -6.0628767 57.90255 -10.114279 1 4710 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 87.5 -6.203124 58.24088 -7.949427 1 4711 +ATOM N N . SER C0 3 184 . 184 SER C0 N 92.58 -5.5998335 55.827007 -12.139493 1 4712 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 91.8 -4.745308 55.97347 -13.317976 1 4713 +ATOM C C . SER C0 3 184 . 184 SER C0 C 92.19 -3.9427614 57.268562 -13.310289 1 4714 +ATOM O O . SER C0 3 184 . 184 SER C0 O 89.84 -3.0521438 57.442833 -14.153284 1 4715 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 90.23 -5.589702 55.90972 -14.592099 1 4716 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 85.94 -6.533493 56.96608 -14.621477 1 4717 +ATOM N N . SER C0 3 185 . 185 SER C0 N 92.58 -4.225075 58.19819 -12.385889 1 4718 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 92.19 -3.5254483 59.474815 -12.31897 1 4719 +ATOM C C . SER C0 3 185 . 185 SER C0 C 92.58 -2.1728525 59.325798 -11.62314 1 4720 +ATOM O O . SER C0 3 185 . 185 SER C0 O 91.02 -2.1085043 58.877975 -10.475985 1 4721 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 91.02 -4.371618 60.50836 -11.582863 1 4722 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 87.89 -3.6337194 61.697235 -11.340584 1 4723 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 91.02 -1.105515 59.73597 -12.305928 1 4724 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 90.62 0.2306903 59.649246 -11.729614 1 4725 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 91.41 0.3726137 60.53266 -10.499088 1 4726 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 89.84 1.2060597 60.260696 -9.632926 1 4727 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 88.67 1.2737405 60.02868 -12.775813 1 4728 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 92.19 -0.4336297 61.588203 -10.409152 1 4729 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 92.19 -0.33764452 62.521706 -9.298529 1 4730 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 92.58 -0.9709327 61.988983 -8.019503 1 4731 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 90.62 -0.6310257 62.446014 -6.928233 1 4732 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 91.02 -0.97447497 63.861786 -9.687617 1 4733 +ATOM N N . THR C0 3 188 . 188 THR C0 N 93.36 -1.871491 61.014187 -8.122713 1 4734 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 93.36 -2.5787811 60.498093 -6.9571652 1 4735 +ATOM C C . THR C0 3 188 . 188 THR C0 C 94.14 -2.4184437 58.99462 -6.7486672 1 4736 +ATOM O O . THR C0 3 188 . 188 THR C0 O 93.36 -2.7784176 58.476883 -5.6884847 1 4737 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 91.8 -4.0780773 60.827553 -7.05146 1 4738 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 88.28 -4.592466 60.278366 -8.252831 1 4739 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 86.72 -4.308919 62.340492 -7.044115 1 4740 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 94.53 -1.8892262 58.29934 -7.743227 1 4741 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 94.53 -1.7461472 56.84633 -7.648419 1 4742 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 94.92 -0.7258729 56.463894 -6.58192 1 4743 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 94.14 0.40966505 56.956036 -6.5848875 1 4744 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 94.14 -1.3217313 56.26881 -9.007939 1 4745 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 92.19 -1.2329748 54.758095 -9.028891 1 4746 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 90.23 -0.7936084 54.260292 -10.400535 1 4747 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 87.11 -0.7527435 52.741432 -10.4638195 1 4748 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 83.59 -2.1380506 52.17759 -10.431437 1 4749 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 95.7 -1.1254461 55.58469 -5.6728573 1 4750 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 95.7 -0.23945299 55.085636 -4.6216288 1 4751 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 95.7 0.5572447 53.897995 -5.127056 1 4752 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 94.92 -0.0012485569 52.997982 -5.764207 1 4753 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 94.92 -1.0278635 54.687584 -3.3673558 1 4754 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 93.36 -1.4840279 55.855286 -2.5009694 1 4755 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 91.02 -2.682507 56.560703 -3.120049 1 4756 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 88.67 -3.211299 57.63997 -2.1795835 1 4757 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 85.55 -4.379809 58.31995 -2.8003733 1 4758 +ATOM N N . THR C0 3 191 . 191 THR C0 N 96.09 1.8325541 53.89364 -4.8634167 1 4759 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 95.7 2.697072 52.747215 -5.1236 1 4760 +ATOM C C . THR C0 3 191 . 191 THR C0 C 96.09 3.422315 52.39836 -3.829926 1 4761 +ATOM O O . THR C0 3 191 . 191 THR C0 O 95.7 3.4335873 53.183968 -2.8792248 1 4762 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 94.53 3.710092 53.03552 -6.2466946 1 4763 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 89.84 4.537708 54.12661 -5.867857 1 4764 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 88.28 3.0010414 53.3689 -7.5546193 1 4765 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 96.48 3.9979792 51.202366 -3.7800894 1 4766 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 96.48 4.6644077 50.788033 -2.5508742 1 4767 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 96.09 5.7943873 49.812332 -2.8520818 1 4768 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 95.7 5.748493 49.083492 -3.8382697 1 4769 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 96.09 3.6800709 50.17116 -1.5799832 1 4770 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 96.48 6.7929993 49.826004 -1.9791836 1 4771 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 96.09 7.9212837 48.916176 -2.0695372 1 4772 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 96.48 8.053892 48.16324 -0.7518817 1 4773 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 96.48 8.008035 48.762806 0.32020605 1 4774 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 95.31 9.208508 49.67378 -2.3847308 1 4775 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 96.48 8.202388 46.831474 -0.8625877 1 4776 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 96.48 8.343654 45.986008 0.32630754 1 4777 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 96.48 9.817375 45.690903 0.5891725 1 4778 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 95.7 10.5495405 45.277397 -0.32833654 1 4779 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 96.48 7.574993 44.68439 0.15615472 1 4780 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 96.09 7.7544746 43.7034 1.2689723 1 4781 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 94.92 8.432631 42.504074 1.2015882 1 4782 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 95.31 7.2726536 43.801247 2.6044476 1 4783 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 94.14 8.366781 41.86672 2.4086704 1 4784 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 94.92 7.6742992 42.634647 3.2860327 1 4785 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 94.92 6.5293317 44.77906 3.2885516 1 4786 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 94.53 7.352449 42.41216 4.6269536 1 4787 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 94.53 6.204788 44.555546 4.616261 1 4788 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 94.53 6.6243105 43.385468 5.263 1 4789 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 96.09 10.253503 45.9144 1.8057314 1 4790 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 96.09 11.613907 45.607895 2.237755 1 4791 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 96.09 11.53273 44.465965 3.2456584 1 4792 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 95.31 11.166161 44.67846 4.399732 1 4793 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 95.7 12.276733 46.845707 2.855525 1 4794 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 92.97 13.735053 46.619675 3.1942348 1 4795 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 90.62 14.149546 45.50487 3.4968562 1 4796 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 89.06 14.5272875 47.692364 3.1560168 1 4797 +ATOM N N . SER C0 3 196 . 196 SER C0 N 95.7 11.879881 43.25154 2.795309 1 4798 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 94.53 11.771972 42.08496 3.6620116 1 4799 +ATOM C C . SER C0 3 196 . 196 SER C0 C 94.92 12.757704 42.126244 4.8199844 1 4800 +ATOM O O . SER C0 3 196 . 196 SER C0 O 93.36 12.506758 41.53727 5.8695927 1 4801 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 93.36 11.973074 40.811058 2.8459709 1 4802 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 88.67 13.261695 40.782093 2.2667098 1 4803 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 94.92 13.887875 42.823875 4.6447377 1 4804 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 94.14 14.876524 42.905537 5.7030716 1 4805 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 94.53 14.392992 43.65719 6.92245 1 4806 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 93.36 14.795187 43.354095 8.044318 1 4807 +ATOM N N . THR C0 3 198 . 198 THR C0 N 95.31 13.522297 44.654095 6.710924 1 4808 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 95.31 12.979026 45.448936 7.8019195 1 4809 +ATOM C C . THR C0 3 198 . 198 THR C0 C 95.7 11.481329 45.241142 7.994147 1 4810 +ATOM O O . THR C0 3 198 . 198 THR C0 O 94.53 10.881134 45.863533 8.870024 1 4811 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 94.92 13.250934 46.951077 7.577778 1 4812 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 92.19 12.667114 47.347534 6.3381243 1 4813 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 90.62 14.744438 47.249176 7.543752 1 4814 +ATOM N N . SER C0 3 199 . 199 SER C0 N 96.09 10.896552 44.382225 7.190324 1 4815 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 96.09 9.454554 44.13508 7.22192 1 4816 +ATOM C C . SER C0 3 199 . 199 SER C0 C 96.88 8.680224 45.44137 7.0922747 1 4817 +ATOM O O . SER C0 3 199 . 199 SER C0 O 96.09 7.7305174 45.6961 7.8291416 1 4818 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 94.92 9.064526 43.398018 8.498245 1 4819 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 89.84 9.7132015 42.154648 8.592541 1 4820 +ATOM N N . THR C0 3 200 . 200 THR C0 N 96.88 9.101545 46.257 6.1309366 1 4821 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 96.88 8.555228 47.59188 5.96908 1 4822 +ATOM C C . THR C0 3 200 . 200 THR C0 C 96.88 7.9586034 47.779976 4.5770745 1 4823 +ATOM O O . THR C0 3 200 . 200 THR C0 O 96.48 8.600847 47.45827 3.5768309 1 4824 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 96.48 9.629892 48.66687 6.209637 1 4825 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 93.75 10.147291 48.521645 7.5241838 1 4826 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 93.36 9.064001 50.07065 6.0361514 1 4827 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 97.27 6.748021 48.33091 4.5299697 1 4828 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 96.88 6.114934 48.731 3.282411 1 4829 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 96.88 6.1782627 50.250458 3.1949847 1 4830 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 96.48 5.608577 50.94609 4.036319 1 4831 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 96.88 4.660333 48.272797 3.2211545 1 4832 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 95.7 3.9589722 48.48857 1.876345 1 4833 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 92.97 2.4467926 48.52318 2.0328832 1 4834 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 92.19 4.3866806 47.409203 0.8888319 1 4835 +ATOM N N . THR C0 3 202 . 202 THR C0 N 96.48 6.8788843 50.75351 2.1904628 1 4836 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 96.48 7.0001707 52.193382 2.006999 1 4837 +ATOM C C . THR C0 3 202 . 202 THR C0 C 96.48 6.03757 52.639553 0.9110896 1 4838 +ATOM O O . THR C0 3 202 . 202 THR C0 O 96.09 6.164977 52.21163 -0.24000862 1 4839 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 96.09 8.437343 52.597588 1.6439716 1 4840 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 93.75 9.308701 52.18805 2.692934 1 4841 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 93.75 8.551308 54.10415 1.4461595 1 4842 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 96.09 5.08875 53.491695 1.2694238 1 4843 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 96.48 4.0835075 53.9652 0.32857513 1 4844 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 96.09 4.5558124 55.27366 -0.29998624 1 4845 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 95.31 5.0368114 56.170677 0.39993972 1 4846 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 95.7 2.720142 54.166245 1.0254871 1 4847 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 94.92 2.2502902 52.83588 1.6298493 1 4848 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 94.53 1.6737177 54.71242 0.049523704 1 4849 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 92.58 0.97789025 52.942284 2.4501245 1 4850 +ATOM N N . THR C0 3 204 . 204 THR C0 N 95.7 4.3869276 55.376106 -1.622596 1 4851 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 95.7 4.838029 56.53163 -2.3816762 1 4852 +ATOM C C . THR C0 3 204 . 204 THR C0 C 95.7 3.6926622 57.097588 -3.2184656 1 4853 +ATOM O O . THR C0 3 204 . 204 THR C0 O 95.31 2.9152045 56.33098 -3.7952678 1 4854 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 94.92 6.0164785 56.15854 -3.2948098 1 4855 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 91.41 7.108861 55.717617 -2.4931786 1 4856 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 90.62 6.460705 57.34361 -4.1452417 1 4857 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 95.31 3.5984282 58.428482 -3.2878041 1 4858 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 94.92 2.630282 59.116035 -4.1270485 1 4859 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 94.53 3.3573003 60.228127 -4.8863926 1 4860 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 93.75 4.0567355 61.035168 -4.286951 1 4861 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 94.14 1.4774756 59.71782 -3.3022084 1 4862 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 91.02 0.48971465 60.442627 -4.225619 1 4863 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 90.62 0.7672727 58.64953 -2.5043359 1 4864 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 92.97 3.2004423 60.25882 -6.183592 1 4865 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 92.58 3.827755 61.27278 -7.0336585 1 4866 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 92.97 5.3343315 61.382835 -6.75543 1 4867 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 91.41 5.880475 62.475853 -6.5818143 1 4868 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 91.02 3.1395955 62.626434 -6.836817 1 4869 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 88.28 3.4693518 63.6155 -7.939023 1 4870 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 83.98 3.8029428 63.21613 -9.056286 1 4871 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 82.81 3.3684766 64.91075 -7.6459985 1 4872 +ATOM N N . SER C0 3 207 . 207 SER C0 N 92.58 5.986796 60.257076 -6.681054 1 4873 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 91.8 7.430928 60.116226 -6.483545 1 4874 +ATOM C C . SER C0 3 207 . 207 SER C0 C 92.58 7.909178 60.575363 -5.1131034 1 4875 +ATOM O O . SER C0 3 207 . 207 SER C0 O 91.41 9.113218 60.708008 -4.898701 1 4876 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 90.23 8.207638 60.86122 -7.5765567 1 4877 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 85.55 7.886995 60.349464 -8.852886 1 4878 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 94.53 6.997847 60.784286 -4.187214 1 4879 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 94.53 7.384103 61.17 -2.833315 1 4880 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 94.92 6.8675804 60.14756 -1.828029 1 4881 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 94.53 5.693697 59.78235 -1.8549052 1 4882 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 93.36 6.8462677 62.565193 -2.4945855 1 4883 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 88.67 7.4863834 63.68653 -3.2994623 1 4884 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 85.55 7.027603 65.062485 -2.8309526 1 4885 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 80.08 7.7363434 66.16301 -3.6135466 1 4886 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 74.61 7.3327804 67.4958 -3.1471493 1 4887 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 95.31 7.7735057 59.720997 -0.9510312 1 4888 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 95.31 7.3803797 58.779076 0.091899745 1 4889 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 94.92 6.416095 59.4606 1.0546558 1 4890 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 94.53 6.6067014 60.626675 1.4167576 1 4891 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 95.31 8.615156 58.26581 0.8400944 1 4892 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 94.14 9.588462 57.50528 -0.035116367 1 4893 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 92.58 10.841038 57.13613 0.750278 1 4894 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 90.23 11.834848 56.430267 -0.14941114 1 4895 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 87.11 13.097134 56.11966 0.5693135 1 4896 +ATOM N N . THR C0 3 210 . 210 THR C0 N 95.7 5.3856 58.725456 1.4604677 1 4897 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 95.31 4.4015665 59.29136 2.3677268 1 4898 +ATOM C C . THR C0 3 210 . 210 THR C0 C 95.7 4.3509984 58.596184 3.7226954 1 4899 +ATOM O O . THR C0 3 210 . 210 THR C0 O 94.92 4.20656 59.263176 4.743158 1 4900 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 94.53 2.9895303 59.26525 1.7535187 1 4901 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 91.8 2.6300094 57.921143 1.4628751 1 4902 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 90.62 2.937446 60.09111 0.4791305 1 4903 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 95.7 4.45123 57.262405 3.7379777 1 4904 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 96.09 4.356579 56.515022 4.9964495 1 4905 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 96.48 5.1722536 55.23463 4.9441833 1 4906 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 96.09 5.393158 54.665615 3.8621001 1 4907 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 94.92 2.8981624 56.138496 5.3048472 1 4908 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 91.8 1.9883848 57.314857 5.589951 1 4909 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 89.06 0.5667776 56.84512 5.871647 1 4910 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 85.16 -0.34792203 58.023697 6.1964483 1 4911 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 80.86 -0.5745894 58.860535 5.0139074 1 4912 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 96.48 5.600154 54.7987 6.109481 1 4913 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 96.09 6.171771 53.470753 6.3019285 1 4914 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 96.09 5.2294836 52.67134 7.185608 1 4915 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 96.09 4.856208 53.1307 8.265945 1 4916 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 96.09 7.5482554 53.5512 6.9721327 1 4917 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 94.92 8.694803 53.69023 5.9980903 1 4918 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 92.19 8.439702 53.807693 4.7780967 1 4919 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 91.41 9.858393 53.678818 6.456352 1 4920 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 96.88 4.856401 51.482826 6.7290444 1 4921 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 96.88 4.11228 50.540134 7.5534873 1 4922 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 96.88 5.0699043 49.40603 7.9095206 1 4923 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 96.48 5.638523 48.771152 7.0121384 1 4924 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 96.48 2.898745 49.98246 6.807838 1 4925 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 94.92 1.765887 50.960873 6.495097 1 4926 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 92.58 0.75480926 50.29409 5.571187 1 4927 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 91.8 1.0937872 51.430286 7.769625 1 4928 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 96.48 5.272699 49.16514 9.1998 1 4929 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 96.48 6.1764736 48.109474 9.648283 1 4930 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 96.09 5.346922 46.9741 10.238423 1 4931 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 95.7 4.5443354 47.191788 11.151331 1 4932 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 96.09 7.1957884 48.628212 10.679346 1 4933 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 92.97 8.113251 47.5047 11.126325 1 4934 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 92.19 8.0015335 49.790092 10.096277 1 4935 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 95.7 5.557349 45.762398 9.704266 1 4936 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 95.31 4.84509 44.5719 10.169029 1 4937 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 94.53 5.8084455 43.78665 11.051014 1 4938 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 92.97 6.6829176 43.076557 10.552315 1 4939 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 95.7 4.3604226 43.75376 8.971636 1 4940 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 96.09 3.3336358 44.47398 8.140426 1 4941 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 93.75 3.7043695 45.50409 7.2925315 1 4942 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 92.97 1.9987715 44.134956 8.222113 1 4943 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 92.97 2.7583504 46.184128 6.5419993 1 4944 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 92.97 1.0513922 44.809555 7.465557 1 4945 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 94.92 1.4243491 45.83682 6.62429 1 4946 +ATOM N N . THR C0 3 216 . 216 THR C0 N 93.36 5.6647596 43.903862 12.362722 1 4947 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 92.58 6.6480083 43.398525 13.311514 1 4948 +ATOM C C . THR C0 3 216 . 216 THR C0 C 92.58 6.5143347 41.88955 13.53854 1 4949 +ATOM O O . THR C0 3 216 . 216 THR C0 O 91.41 5.501377 41.27449 13.199865 1 4950 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 91.41 6.5401063 44.118073 14.666172 1 4951 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 89.06 5.3621144 43.659256 15.339755 1 4952 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 87.5 6.466825 45.630905 14.490671 1 4953 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 90.23 7.576041 41.321175 14.126821 1 4954 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 89.06 7.5688534 39.903656 14.463865 1 4955 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 89.84 6.572464 39.579597 15.573336 1 4956 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 87.89 6.2065206 38.41439 15.748442 1 4957 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 86.72 8.977446 39.450455 14.87471 1 4958 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 80.47 9.995939 39.519478 13.747084 1 4959 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 74.22 11.363145 39.02589 14.218382 1 4960 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 69.14 12.378878 39.066166 13.08803 1 4961 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 63.28 13.710412 38.592377 13.533773 1 4962 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 91.8 6.1388893 40.59238 16.319244 1 4963 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 91.02 5.1602054 40.414738 17.378117 1 4964 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 91.41 3.733026 40.543858 16.864952 1 4965 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 89.84 2.8027883 40.647675 17.644524 1 4966 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 89.45 5.3957415 41.422043 18.510696 1 4967 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 84.77 6.691204 41.2032 19.291695 1 4968 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 79.69 7.9295974 41.6534 18.53849 1 4969 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 75.39 9.010999 41.10577 18.80283 1 4970 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 74.22 7.815547 42.554058 17.671856 1 4971 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 92.97 3.5888624 40.544685 15.555967 1 4972 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 92.97 2.2918437 40.63494 14.893653 1 4973 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 93.36 1.5650687 41.938198 15.206285 1 4974 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 92.58 0.35517818 41.96431 15.411096 1 4975 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 92.19 1.4225647 39.422752 15.241892 1 4976 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 91.02 2.0284548 38.137177 14.751366 1 4977 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 87.5 2.3612442 38.014824 13.571123 1 4978 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 86.33 2.1902747 37.172638 15.643768 1 4979 +ATOM N N . THR C0 3 220 . 220 THR C0 N 94.92 2.3493083 43.022705 15.262503 1 4980 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 94.92 1.7962116 44.362488 15.360309 1 4981 +ATOM C C . THR C0 3 220 . 220 THR C0 C 95.31 2.1740801 45.12904 14.09985 1 4982 +ATOM O O . THR C0 3 220 . 220 THR C0 O 95.31 3.1289375 44.770172 13.403765 1 4983 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 93.36 2.3143792 45.119804 16.60064 1 4984 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 89.45 3.7264194 45.23941 16.527409 1 4985 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 88.28 1.924263 44.404594 17.88451 1 4986 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 96.09 1.41908 46.189377 13.802425 1 4987 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 96.09 1.7025136 47.04801 12.662791 1 4988 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 95.7 1.8797004 48.469276 13.1827545 1 4989 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 95.31 1.0675507 48.94712 13.97209 1 4990 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 95.7 0.56556785 47.01706 11.62068 1 4991 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 94.14 0.2318934 45.581406 11.226108 1 4992 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 94.14 0.94254315 47.84002 10.386072 1 4993 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 91.8 -1.0365882 45.455795 10.393333 1 4994 +ATOM N N . THR C0 3 222 . 222 THR C0 N 96.09 2.9566665 49.124805 12.738337 1 4995 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 96.09 3.170425 50.5195 13.099103 1 4996 +ATOM C C . THR C0 3 222 . 222 THR C0 C 96.48 3.1824622 51.370514 11.835909 1 4997 +ATOM O O . THR C0 3 222 . 222 THR C0 O 96.09 3.5247483 50.88572 10.75065 1 4998 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 95.7 4.477987 50.731926 13.878516 1 4999 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 92.58 5.5795736 50.42363 13.042122 1 5000 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 91.8 4.5214415 49.869442 15.125935 1 5001 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 96.48 2.8182917 52.636284 11.986895 1 5002 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 96.09 2.8334415 53.561634 10.85953 1 5003 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 96.09 3.6096947 54.812298 11.2612505 1 5004 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 95.31 3.5127816 55.28032 12.401028 1 5005 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 95.7 1.4041858 53.93559 10.395156 1 5006 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 91.8 1.4709469 54.849174 9.161153 1 5007 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 90.62 0.6177452 54.598186 11.506091 1 5008 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 95.7 4.403098 55.320526 10.334263 1 5009 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 95.7 5.1593513 56.557404 10.548289 1 5010 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 95.7 5.164472 57.34209 9.248215 1 5011 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 95.31 5.3738523 56.759624 8.175035 1 5012 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 94.92 6.5798235 56.248585 11.011333 1 5013 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 92.58 7.347947 57.480556 11.466232 1 5014 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 91.41 8.668995 57.15038 12.123585 1 5015 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 87.11 9.130661 56.020416 12.060628 1 5016 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 85.94 9.293129 58.1444 12.76816 1 5017 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 95.31 4.944196 58.669914 9.342105 1 5018 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 94.92 4.8365164 59.507977 8.1523075 1 5019 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 95.31 6.1680326 60.138733 7.7729783 1 5020 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 94.14 7.0220547 60.374264 8.630941 1 5021 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 93.36 3.806922 60.61907 8.378767 1 5022 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 87.89 2.401966 60.102547 8.608982 1 5023 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 83.98 1.3615607 61.19479 8.621845 1 5024 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 78.91 1.3744524 62.094566 7.7790747 1 5025 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 76.56 0.45123792 61.129814 9.575527 1 5026 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 95.31 6.309493 60.394497 6.472146 1 5027 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 95.31 7.452731 61.13915 5.9599814 1 5028 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 94.53 7.132372 62.62966 5.930807 1 5029 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 93.36 5.9690204 63.039185 6.005939 1 5030 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 95.31 7.8276877 60.68044 4.5492525 1 5031 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 94.92 8.572788 59.372055 4.5031157 1 5032 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 92.58 7.899626 58.166374 4.567337 1 5033 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 91.8 9.948975 59.34961 4.383567 1 5034 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 91.41 8.583656 56.96766 4.5197983 1 5035 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 91.41 10.634627 58.151268 4.332123 1 5036 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 93.75 9.9529 56.96426 4.4092283 1 5037 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 93.75 10.635292 55.79057 4.3533335 1 5038 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 94.53 8.187097 63.46231 5.817411 1 5039 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 94.14 7.9725876 64.90448 5.701437 1 5040 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 94.14 7.3626785 65.222435 4.341971 1 5041 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 92.97 7.1853895 64.328964 3.5027518 1 5042 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 93.36 9.275885 65.67639 5.938439 1 5043 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 91.41 10.367146 65.37205 4.9288607 1 5044 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 88.67 10.098833 64.70514 3.898584 1 5045 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 87.11 11.51781 65.814255 5.1577215 1 5046 +ATOM N N . SER C0 3 228 . 228 SER C0 N 92.97 7.0196886 66.48993 4.1076083 1 5047 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 92.19 6.3136053 66.895966 2.8985503 1 5048 +ATOM C C . SER C0 3 228 . 228 SER C0 C 92.58 7.1113076 66.620575 1.6314702 1 5049 +ATOM O O . SER C0 3 228 . 228 SER C0 O 91.41 6.523364 66.467964 0.55800503 1 5050 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 91.02 5.9550786 68.390274 2.976615 1 5051 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 85.55 7.110935 69.19028 3.0989752 1 5052 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 93.36 8.4262085 66.56707 1.7396278 1 5053 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 92.97 9.269327 66.25897 0.5905293 1 5054 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 92.97 9.48634 64.76128 0.41041443 1 5055 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 92.19 10.110443 64.345345 -0.5649309 1 5056 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 92.19 10.626356 66.971886 0.71619576 1 5057 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 88.67 10.501131 68.48159 0.6032313 1 5058 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 84.38 9.713229 68.98245 -0.18938795 1 5059 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 82.81 11.290989 69.22398 1.3771142 1 5060 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 93.75 9.015055 63.968174 1.3552669 1 5061 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 93.75 9.160752 62.521347 1.2931505 1 5062 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 93.75 10.583277 62.030914 1.454174 1 5063 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 92.97 10.928165 60.973274 0.93034065 1 5064 +ATOM N N . THR C0 3 231 . 231 THR C0 N 93.75 11.394869 62.74278 2.2021375 1 5065 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 93.36 12.802761 62.40638 2.3395624 1 5066 +ATOM C C . THR C0 3 231 . 231 THR C0 C 93.75 13.189577 61.946518 3.7424045 1 5067 +ATOM O O . THR C0 3 231 . 231 THR C0 O 92.58 14.225811 61.3079 3.9127924 1 5068 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 92.19 13.697138 63.59603 1.9460682 1 5069 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 88.28 13.365612 64.71966 2.7564902 1 5070 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 86.72 13.502768 63.96499 0.48113424 1 5071 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 93.36 12.383003 62.265724 4.757495 1 5072 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 93.36 12.73064 61.921223 6.131974 1 5073 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 93.75 11.486903 61.55105 6.9341164 1 5074 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 92.97 10.461331 62.234367 6.836294 1 5075 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 92.19 13.455977 63.10943 6.8023453 1 5076 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 86.72 13.884485 62.844967 8.234277 1 5077 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 83.59 14.554284 64.081635 8.83156 1 5078 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 77.73 14.944156 63.824295 10.291589 1 5079 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 73.05 15.553663 65.0173 10.90193 1 5080 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 94.53 11.60888 60.49919 7.698427 1 5081 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 94.53 10.515727 60.124268 8.59166 1 5082 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 93.75 10.43312 61.147438 9.714799 1 5083 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 92.97 11.4611845 61.562584 10.258726 1 5084 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 93.75 10.7481 58.73201 9.17928 1 5085 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 92.58 10.5700035 57.57129 8.198797 1 5086 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 90.23 11.214361 56.316452 8.756964 1 5087 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 89.45 9.090882 57.34498 7.9269257 1 5088 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 93.36 9.21917 61.5461 10.057665 1 5089 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 92.58 9.048943 62.509087 11.134184 1 5090 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 92.58 8.057432 61.98724 12.165907 1 5091 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 90.62 7.2033186 61.150436 11.867156 1 5092 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 91.02 8.591559 63.870094 10.599348 1 5093 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 85.94 7.2582655 63.84486 9.871822 1 5094 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 82.42 6.8954186 65.19513 9.288799 1 5095 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 78.52 7.7181964 66.128685 9.33943 1 5096 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 77.34 5.759299 65.335335 8.774184 1 5097 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 92.19 8.238184 62.486988 13.389651 1 5098 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 91.8 7.3882065 62.023342 14.465185 1 5099 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 92.19 7.778949 60.631123 14.931508 1 5100 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 90.62 8.836084 60.110397 14.562836 1 5101 +ATOM N N . SER C0 3 236 . 236 SER C0 N 92.58 6.921525 60.03621 15.728614 1 5102 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 92.58 7.1625423 58.691933 16.25396 1 5103 +ATOM C C . SER C0 3 236 . 236 SER C0 C 93.36 6.296674 57.671795 15.539173 1 5104 +ATOM O O . SER C0 3 236 . 236 SER C0 O 91.8 5.213079 57.9948 15.050841 1 5105 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 90.62 6.8777876 58.647102 17.757797 1 5106 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 85.16 7.7075834 59.549507 18.475386 1 5107 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 94.53 6.8007092 56.450233 15.460586 1 5108 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 94.92 5.996954 55.363297 14.918323 1 5109 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 94.92 4.824193 55.113373 15.863559 1 5110 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 94.14 5.00656 55.058807 17.079134 1 5111 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 94.14 6.8484807 54.116333 14.747855 1 5112 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 95.31 3.6341016 54.93564 15.296358 1 5113 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 94.92 2.428841 54.71872 16.084309 1 5114 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 95.31 1.8707242 53.326538 15.780365 1 5115 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 94.92 1.7286731 52.94503 14.613691 1 5116 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 93.75 1.3688931 55.7957 15.78375 1 5117 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 89.45 0.101420015 55.53546 16.574692 1 5118 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 88.28 1.9161463 57.188652 16.09169 1 5119 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 95.31 1.5808856 52.57925 16.82743 1 5120 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 95.31 1.0421634 51.236374 16.656242 1 5121 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 95.31 -0.40921646 51.308052 16.18861 1 5122 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 94.92 -1.2264745 52.042767 16.760807 1 5123 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 94.14 1.1353757 50.453316 17.970371 1 5124 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 89.84 0.5869252 49.036064 17.844234 1 5125 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 87.89 0.72878575 48.225048 19.114353 1 5126 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 83.98 1.5193235 48.62944 19.995113 1 5127 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 83.2 0.059582394 47.178677 19.24775 1 5128 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 95.31 -0.71824753 50.54596 15.16708 1 5129 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 95.31 -2.089025 50.451427 14.669086 1 5130 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 94.92 -2.8605857 49.484657 15.558583 1 5131 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 94.14 -2.4250007 48.35468 15.777847 1 5132 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 94.92 -2.0959377 49.996227 13.198566 1 5133 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 92.97 -1.5678535 51.139126 12.318523 1 5134 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 92.19 -3.49371 49.56145 12.760567 1 5135 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 91.02 -1.3934664 50.776196 10.853519 1 5136 +ATOM N N . THR C0 3 241 . 241 THR C0 N 95.31 -3.993229 49.920677 16.072731 1 5137 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 94.92 -4.7737045 49.103157 16.986923 1 5138 +ATOM C C . THR C0 3 241 . 241 THR C0 C 94.92 -6.1908607 48.833782 16.488304 1 5139 +ATOM O O . THR C0 3 241 . 241 THR C0 O 93.75 -6.955311 48.157307 17.171227 1 5140 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 93.75 -4.856942 49.75447 18.386105 1 5141 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 90.23 -5.471369 51.037704 18.26368 1 5142 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 89.06 -3.4670596 49.91749 18.996506 1 5143 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 95.31 -6.529008 49.36786 15.320259 1 5144 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 94.92 -7.83955 49.112305 14.741708 1 5145 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 95.7 -7.7707686 49.25185 13.224976 1 5146 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 94.53 -6.8856335 49.91915 12.683586 1 5147 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 93.75 -8.903722 50.059433 15.317662 1 5148 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 90.23 -8.53371 51.52435 15.305801 1 5149 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 87.11 -9.444941 52.316048 16.228334 1 5150 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 82.42 -9.016935 53.763565 16.303707 1 5151 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 77.34 -9.812487 54.494263 17.305193 1 5152 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 95.7 -8.722916 48.615448 12.5393505 1 5153 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 95.7 -8.708292 48.553516 11.079281 1 5154 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 95.7 -8.79337 49.93987 10.445485 1 5155 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 94.92 -8.196264 50.174767 9.390606 1 5156 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 94.92 -9.859873 47.675224 10.58256 1 5157 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 93.36 -9.889357 47.36526 9.085716 1 5158 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 91.02 -11.14142 46.554882 8.752739 1 5159 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 90.23 -8.6307955 46.633213 8.670307 1 5160 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 95.31 -9.533386 50.84985 11.053637 1 5161 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 95.31 -9.674671 52.201694 10.524071 1 5162 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 95.31 -8.327215 52.891785 10.351278 1 5163 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 94.92 -8.152647 53.689835 9.428444 1 5164 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 94.53 -10.553336 53.05424 11.448341 1 5165 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 89.45 -12.008288 52.6485 11.422269 1 5166 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 85.94 -12.413022 51.892666 10.515757 1 5167 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 84.38 -12.754854 53.088406 12.32394 1 5168 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 95.31 -7.3716288 52.58727 11.22204 1 5169 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 94.92 -6.057106 53.212326 11.151757 1 5170 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 95.7 -5.254985 52.698257 9.960163 1 5171 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 94.92 -4.4472837 53.435287 9.394184 1 5172 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 94.53 -5.2979336 52.989716 12.463007 1 5173 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 91.8 -5.9790173 53.660507 13.642195 1 5174 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 91.02 -5.3605003 53.30751 14.972662 1 5175 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 87.89 -5.845976 53.811268 16.00709 1 5176 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 87.89 -4.394027 52.51657 15.008499 1 5177 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 95.31 -5.4458036 51.42285 9.586052 1 5178 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 95.31 -4.7896314 50.90892 8.381769 1 5179 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 95.7 -5.3868904 51.587193 7.1553426 1 5180 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 95.31 -4.6586914 52.02289 6.260873 1 5181 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 94.92 -4.924717 49.38279 8.268084 1 5182 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 92.19 -4.328106 48.690712 9.500934 1 5183 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 91.41 -4.2410383 48.8888 6.9888496 1 5184 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 88.28 -4.454076 47.176666 9.458093 1 5185 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 95.7 -6.716819 51.680904 7.1185207 1 5186 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 95.31 -7.3785777 52.32463 5.9883866 1 5187 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 94.92 -6.9347105 53.77693 5.846779 1 5188 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 94.53 -6.710397 54.263935 4.728366 1 5189 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 94.92 -8.901389 52.23665 6.1420045 1 5190 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 93.75 -9.447766 50.8246 5.998022 1 5191 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 92.58 -10.972625 50.8243 6.0490427 1 5192 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 89.45 -11.511159 49.427444 5.8013096 1 5193 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 85.94 -12.992893 49.403008 5.791149 1 5194 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 94.92 -6.7839937 54.468178 6.9764385 1 5195 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 94.53 -6.3134484 55.85107 6.9464793 1 5196 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 94.53 -4.90529 55.95032 6.3632994 1 5197 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 93.75 -4.5792513 56.89749 5.640231 1 5198 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 93.36 -6.3524685 56.448883 8.360352 1 5199 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 89.45 -5.9383497 57.911346 8.388094 1 5200 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 85.16 -6.618225 58.762383 7.8158336 1 5201 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 83.98 -4.8319016 58.21858 9.04489 1 5202 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 94.53 -4.0681796 54.982452 6.663981 1 5203 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 94.53 -2.699501 54.98242 6.1685095 1 5204 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 94.14 -2.6384897 54.749214 4.665367 1 5205 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 92.97 -1.6167847 55.06054 4.038267 1 5206 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 93.36 -1.8807099 53.93142 6.9043283 1 5207 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 94.53 -3.6921666 54.18929 4.0858383 1 5208 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 94.14 -3.721302 53.884666 2.659185 1 5209 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 93.36 -4.271999 55.045082 1.8262979 1 5210 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 91.8 -4.2058773 54.99318 0.59509397 1 5211 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 94.14 -4.554992 52.628563 2.3995805 1 5212 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 94.14 -4.0782213 51.360897 3.0954123 1 5213 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 91.02 -5.0252347 50.222466 2.7672234 1 5214 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 89.45 -2.651669 51.02469 2.7149773 1 5215 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 91.8 -4.786645 56.06947 2.4354777 1 5216 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 90.62 -5.338976 57.218285 1.7272341 1 5217 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 89.06 -4.2617846 58.017487 1.0081532 1 5218 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 86.33 -3.1008818 58.04509 1.4311421 1 5219 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 87.5 -6.0824213 58.153347 2.6911578 1 5220 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 83.59 -7.351707 57.542797 3.2499027 1 5221 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 80.47 -8.037828 58.53377 4.2016196 1 5222 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 76.95 -9.311926 57.907154 4.766595 1 5223 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 74.61 -9.967962 58.81035 5.699461 1 5224 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 75.78 -4.5186195 58.55272 -0.076893196 1 5225 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 75.39 2.1844876 1.9621489 -8.615158 1 5226 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 74.61 2.1511564 1.1016115 -9.652357 1 5227 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 76.95 0.8713167 2.631076 -8.428873 1 5228 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 73.83 0.93991333 3.5242548 -7.398566 1 5229 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 71.48 15.840147 -17.445925 1.2936382 1 5230 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 69.92 15.122667 -18.60661 1.400682 1 5231 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 72.27 17.30597 -17.744633 1.3813972 1 5232 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 67.58 17.986431 -16.585526 1.6661332 1 5233 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 61.72 -6.552383 18.667171 -6.066723 1 5234 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 61.33 -6.2728357 18.594625 -4.7355213 1 5235 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 64.06 -7.7143993 17.80406 -6.418392 1 5236 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 59.77 -7.3707304 16.950521 -7.440605 1 5237 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 56.25 7.536543 -10.361626 -2.7128165 1 5238 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 55.47 6.952592 -11.593994 -2.7847784 1 5239 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 58.59 8.808111 -10.436523 -1.9249016 1 5240 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 54.3 9.586664 -9.353369 -2.1970801 1 5241 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 53.12 6.79733 20.933205 23.284512 1 5242 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 51.95 7.84492 20.10101 23.4331 1 5243 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 55.47 7.1658325 22.32994 23.616774 1 5244 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 50.0 6.094753 23.144852 23.44707 1 5245 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 57.03 -12.429922 48.25774 13.682716 1 5246 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 56.25 -11.705696 49.365852 13.659627 1 5247 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 58.59 -11.5869665 47.062553 13.962411 1 5248 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 53.91 -12.155609 45.931427 13.426093 1 5249 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 79.3 1.731146 1.3310122 -5.074126 1 5250 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 67.58 -13.821336 8.825001 -14.397104 1 5251 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 62.89 -7.886786 15.8635845 -3.4617577 1 5252 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 60.94 1.5888364 -12.3561535 20.851534 1 5253 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 52.34 -2.5954742 16.073736 12.222181 1 5254 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 59.38 4.4796934 4.5234146 29.861782 1 5255 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 57.03 -5.4910774 20.958004 25.05194 1 5256 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_2_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_2_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..b9e49caed485f379e8b5f7cc91bb4beaaec72d6a --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_2_postprocessed.cif @@ -0,0 +1,6691 @@ +data_8tuz-assembly1_seed_42_sample_2_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 0 -17.44076 -7.8179364 11.205427 1 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 0 -18.706955 -7.332387 10.677247 1 2 1 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 0 -18.528204 -6.5205665 9.409552 1 3 1 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 0 -19.37901 -6.590436 8.511028 1 4 1 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 0 -19.435513 -6.509776 11.744974 1 5 1 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 0 -18.593418 -5.406728 12.356348 1 6 1 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 0 -19.329124 -4.6646404 13.454622 1 7 1 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 0 -20.5599 -4.779273 13.532557 1 8 1 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 0 -18.687592 -3.9594116 14.255936 1 9 1 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 0 -17.428795 -5.7373405 9.313297 1 10 1 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 0 -17.153593 -5.032593 8.068394 1 11 1 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 0 -16.687454 -6.053173 7.029645 1 12 1 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 0 -15.781826 -6.8496714 7.298002 1 13 1 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 0 -16.077179 -3.944048 8.258112 1 14 1 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 0 -15.68614 -3.339816 6.916848 1 15 1 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 0 -16.566425 -2.8797297 9.221678 1 16 1 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 0 -17.300724 -6.028412 5.8578773 1 17 1 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 0 -16.93769 -6.9680405 4.802699 1 18 1 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 0 -16.92611 -6.2751384 3.4466324 1 19 1 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 0 -17.74924 -5.390461 3.184935 1 20 1 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 0 -17.910511 -8.154541 4.7579885 1 21 1 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 0 -17.834003 -9.053146 5.975787 1 22 1 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 0 -18.733448 -10.269113 5.8579717 1 23 1 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 0 -19.493866 -10.403687 4.9055977 1 24 1 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 0 -18.661625 -11.169944 6.8313236 1 25 1 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 0 -16.001932 -6.686471 2.5983548 1 26 1 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 0 -15.95019 -6.2828145 1.2023789 1 27 1 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 0 -15.930069 -7.5618815 0.37614536 1 28 1 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 0 -14.978314 -8.34321 0.46537626 1 29 1 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 0 -14.707003 -5.433106 0.9147892 1 30 1 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 0 -14.642222 -4.070917 1.6099328 1 31 1 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 0 -13.2538185 -3.4575734 1.4375021 1 32 1 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 0 -15.703129 -3.1368997 1.0603664 1 33 1 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 0 -16.986156 -7.7961755 -0.39787793 1 34 1 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 0 -17.127298 -9.028564 -1.1748691 1 35 1 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 0 -17.030006 -8.694703 -2.6614747 1 36 1 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 0 -17.82439 -7.90413 -3.1835382 1 37 1 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 0 -18.459618 -9.740772 -0.8713379 1 38 1 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 0 -18.587044 -11.002514 -1.7144136 1 39 1 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 0 -18.554123 -10.07292 0.619404 1 40 1 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 0 -16.049736 -9.305414 -3.329232 1 41 1 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 0 -15.801945 -9.019432 -4.7364984 1 42 1 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 0 -16.458443 -10.052889 -5.6490974 1 43 1 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 0 -16.81623 -11.149302 -5.2126136 1 44 1 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 0 -14.295495 -8.964145 -5.0057707 1 45 1 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 0 -13.596619 -7.8650246 -4.2245793 1 46 1 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 0 -12.115101 -7.7570953 -4.5042496 1 47 1 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 0 -11.3018265 -7.695895 -3.5884655 1 48 1 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 0 -11.744293 -7.7316155 -5.778572 1 49 1 +ATOM N N . SER A0 1 7 . 7 SER A0 N 0 -16.608711 -9.677509 -6.918729 1 50 1 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 0 -17.191515 -10.567883 -7.9202566 1 51 1 +ATOM C C . SER A0 1 7 . 7 SER A0 C 0 -16.215181 -11.691155 -8.256845 1 52 1 +ATOM O O . SER A0 1 7 . 7 SER A0 O 0 -15.042028 -11.662213 -7.8845615 1 53 1 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 0 -17.560902 -9.780337 -9.180242 1 54 1 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 0 -16.464334 -9.019544 -9.648163 1 55 1 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 0 -16.699791 -12.697769 -8.982076 1 56 1 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 0 -15.926958 -13.896753 -9.258357 1 57 1 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 0 -14.883076 -13.729841 -10.347394 1 58 1 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 0 -14.786127 -12.6840515 -11.003824 1 59 1 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 0 -14.102127 -14.798202 -10.535723 1 60 1 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 0 -13.033805 -14.833776 -11.52232 1 61 1 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 0 -13.55364 -14.52539 -12.925473 1 62 1 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 0 -14.650616 -14.950104 -13.295556 1 63 1 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 0 -12.355566 -16.206053 -11.49892 1 64 1 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 0 -11.238691 -16.363888 -12.513781 1 65 1 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 0 -10.589894 -17.749529 -12.462251 1 66 1 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 0 -9.629431 -17.991426 -13.2198305 1 67 1 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 0 -11.042533 -18.590374 -11.656121 1 68 1 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 0 -12.743036 -13.783084 -13.7081585 1 69 1 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 0 -13.10705 -13.410194 -15.061907 1 70 1 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 0 -12.040382 -13.887148 -16.040207 1 71 1 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 0 -10.840786 -13.726891 -15.781158 1 72 1 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 0 -13.268087 -11.886159 -15.194704 1 73 1 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 0 -14.340733 -11.283337 -14.295654 1 74 1 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 0 -15.740715 -11.39782 -14.859898 1 75 1 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 0 -16.684526 -10.9596405 -14.177647 1 76 1 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 0 -15.906128 -11.925844 -15.982216 1 77 1 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 0 -12.464859 -14.480167 -17.15419 1 78 1 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 0 -11.580111 -14.891483 -18.242115 1 79 1 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 0 -12.074048 -14.194872 -19.503403 1 80 1 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 0 -13.177969 -14.472776 -19.981918 1 81 1 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 0 -11.56374 -16.419846 -18.435057 1 82 1 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 0 -10.599843 -16.798483 -19.559391 1 83 1 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 0 -11.161917 -17.108826 -17.1279 1 84 1 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 0 -11.257737 -13.280006 -20.028263 1 85 1 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 0 -11.658039 -12.4473505 -21.160751 1 86 1 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 0 -10.589256 -12.443935 -22.247698 1 87 1 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 0 -9.432672 -12.835127 -22.01856 1 88 1 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 0 -11.92259 -11.004467 -20.711018 1 89 1 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 0 -13.083657 -10.846572 -19.74271 1 90 1 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 0 -14.410499 -11.002768 -20.479843 1 91 1 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 0 -15.586498 -10.735113 -19.541265 1 92 1 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 0 -16.855143 -10.797401 -20.257458 1 93 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 -10.967274 -11.993282 -23.44521 1 94 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 -10.050007 -11.855904 -24.562584 1 95 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 -9.618948 -10.399975 -24.696064 1 96 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 -10.355107 -9.48568 -24.302502 1 97 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 -10.716706 -12.316364 -25.86136 1 98 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 -11.065945 -13.791475 -25.879208 1 99 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 -11.638262 -14.215473 -27.214306 1 100 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 -12.01693 -15.688141 -27.211811 1 101 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 -10.851453 -16.574438 -27.004848 1 102 1 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 0 -8.408454 -10.158336 -25.250446 1 103 1 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 0 -7.97283 -8.77364 -25.454031 1 104 1 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 0 -8.975604 -7.994645 -26.301975 1 105 1 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 0 -9.569551 -8.540493 -27.236197 1 106 1 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 0 -6.6296024 -8.920599 -26.17649 1 107 1 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 0 -6.134982 -10.279135 -25.778797 1 108 1 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 0 -7.3753486 -11.121096 -25.660595 1 109 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -9.162903 -6.7358932 -25.949509 1 110 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -10.0999565 -5.8863764 -26.658731 1 111 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -11.498524 -5.875181 -26.085642 1 112 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -12.290344 -4.984866 -26.418102 1 113 1 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 0 -11.804116 -6.849822 -25.229263 1 114 1 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 0 -13.125544 -6.897538 -24.614391 1 115 1 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 0 -13.194422 -5.9468217 -23.427502 1 116 1 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 0 -12.165595 -5.560722 -22.859638 1 117 1 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 0 -13.463154 -8.322739 -24.16119 1 118 1 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 0 -13.6091385 -9.301308 -25.315552 1 119 1 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 0 -14.049313 -10.677635 -24.863605 1 120 1 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 0 -14.572728 -11.435793 -25.699543 1 121 1 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 0 -13.878752 -11.00642 -23.672138 1 122 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 -14.394072 -5.5688577 -23.064417 1 123 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 -14.606598 -4.725568 -21.897358 1 124 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 -14.922949 -5.5942173 -20.684837 1 125 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 -15.353848 -6.744998 -20.821959 1 126 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 -15.743443 -3.7276983 -22.140812 1 127 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 -16.976345 -4.4094763 -22.321259 1 128 1 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 0 -14.674221 -5.0403385 -19.501768 1 129 1 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 0 -14.915676 -5.781415 -18.268663 1 130 1 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 0 -15.183989 -4.814595 -17.131016 1 131 1 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 0 -14.542137 -3.757832 -17.04625 1 132 1 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 0 -13.71072 -6.6726747 -17.930206 1 133 1 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 0 -13.772731 -7.420169 -16.591095 1 134 1 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 0 -12.442579 -8.100534 -16.298662 1 135 1 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 0 -14.915262 -8.430607 -16.594604 1 136 1 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 0 -16.11065 -5.171191 -16.266373 1 137 1 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 0 -16.375439 -4.416542 -15.051452 1 138 1 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 0 -16.503365 -5.4000206 -13.893761 1 139 1 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 0 -17.376762 -6.2798004 -13.907321 1 140 1 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 0 -17.660751 -3.5849833 -15.1809025 1 141 1 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 0 -17.932615 -2.6891036 -13.971848 1 142 1 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 0 -19.03701 -1.6747992 -14.251359 1 143 1 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 0 -20.404682 -2.3104563 -14.340654 1 144 1 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 0 -21.462082 -1.2801828 -14.510153 1 145 1 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 0 -15.610314 -5.277442 -12.910893 1 146 1 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 0 -15.666377 -6.120059 -11.726679 1 147 1 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 0 -16.169468 -5.286492 -10.557305 1 148 1 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 0 -16.06393 -4.0557218 -10.556105 1 149 1 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 0 -14.299623 -6.7735147 -11.409775 1 150 1 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 0 -13.23972 -5.7175055 -11.134302 1 151 1 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 0 -13.864449 -7.6696286 -12.578721 1 152 1 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 0 -11.8858385 -6.2921534 -10.715366 1 153 1 +ATOM N N . SER A0 1 21 . 21 SER A0 N 0 -16.727295 -5.970292 -9.549406 1 154 1 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 0 -17.426228 -5.2720613 -8.474411 1 155 1 +ATOM C C . SER A0 1 21 . 21 SER A0 C 0 -16.8932 -5.621503 -7.0869217 1 156 1 +ATOM O O . SER A0 1 21 . 21 SER A0 O 0 -16.222902 -6.6351566 -6.8976955 1 157 1 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 0 -18.930119 -5.5627165 -8.534051 1 158 1 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 0 -19.194416 -6.926897 -8.267134 1 159 1 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 0 -17.219107 -4.7608337 -6.1460147 1 160 1 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 0 -16.84821 -4.8986197 -4.7395144 1 161 1 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 0 -17.996277 -4.329909 -3.9126372 1 162 1 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 0 -18.281252 -3.131857 -3.9876862 1 163 1 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 0 -15.548822 -4.1398277 -4.4670587 1 164 1 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 0 -15.091922 -3.9732451 -2.7427864 1 165 1 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 0 -18.6735 -5.1821675 -3.152264 1 166 1 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 0 -19.820984 -4.7644787 -2.3482075 1 167 1 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 0 -19.429886 -4.688865 -0.8747492 1 168 1 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 0 -18.909513 -5.6542273 -0.31261435 1 169 1 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 0 -20.999079 -5.722616 -2.5257654 1 170 1 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 0 -22.236012 -5.2787304 -1.7555933 1 171 1 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 0 -23.442102 -6.1510196 -2.0755193 1 172 1 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 0 -24.678158 -5.6587768 -1.3265183 1 173 1 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 0 -25.863907 -6.4582777 -1.6633074 1 174 1 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 0 -19.695642 -3.5261478 -0.25193727 1 175 1 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 0 -19.387194 -3.3385277 1.1563547 1 176 1 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 0 -20.601124 -3.533787 2.0379114 1 177 1 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 0 -21.731594 -3.2727342 1.6337919 1 178 1 +ATOM N N . SER A0 1 25 . 25 SER A0 N 0 -20.368393 -4.003123 3.2583423 1 179 1 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 0 -21.430153 -4.174355 4.239432 1 180 1 +ATOM C C . SER A0 1 25 . 25 SER A0 C 0 -20.85362 -4.0506215 5.6450505 1 181 1 +ATOM O O . SER A0 1 25 . 25 SER A0 O 0 -19.640152 -4.1791334 5.840507 1 182 1 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 0 -22.133955 -5.5269966 4.0633135 1 183 1 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 0 -21.236237 -6.600563 4.276431 1 184 1 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 0 -21.733465 -3.7851887 6.6347647 1 185 1 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 0 -21.322811 -3.7258804 8.019737 1 186 1 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 0 -20.824232 -2.365914 8.477609 1 187 1 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 0 -20.331247 -2.2539024 9.602196 1 188 1 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 0 -20.95689 -1.3325877 7.6407 1 189 1 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 0 -20.557404 0.03495889 7.982936 1 190 1 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 0 -21.273071 0.99328804 7.049288 1 191 1 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 0 -21.90754 0.56322396 6.0740447 1 192 1 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 0 -19.034416 0.19550925 7.8946743 1 193 1 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 0 -18.510864 0.14889446 6.4866714 1 194 1 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 0 -18.338736 -1.060977 5.824624 1 195 1 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 0 -18.185669 1.32422 5.8193684 1 196 1 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 0 -17.865622 -1.1052341 4.5256944 1 197 1 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 0 -17.70536 1.2912304 4.519791 1 198 1 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 0 -17.553455 0.075056344 3.8813214 1 199 1 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 0 -17.077265 0.04435893 2.588378 1 200 1 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 0 -21.193449 2.3034081 7.3181543 1 201 1 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 0 -21.81588 3.2937837 6.4528656 1 202 1 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 0 -20.973644 3.4585273 5.18909 1 203 1 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 0 -19.982712 4.193159 5.170738 1 204 1 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 0 -21.982391 4.6267304 7.1838083 1 205 1 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 0 -22.8111 5.635124 6.4009266 1 206 1 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 0 -23.046467 6.9085274 7.2050743 1 207 1 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 0 -23.86621 7.912182 6.4035015 1 208 1 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 0 -24.100693 9.146699 7.16804 1 209 1 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 0 -21.370625 2.763205 4.128252 1 210 1 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 0 -20.614033 2.63725 2.8885808 1 211 1 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 0 -20.224846 3.9896865 2.2803345 1 212 1 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 0 -19.11772 4.1530952 1.7632904 1 213 1 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 0 -21.433525 1.8196454 1.8911097 1 214 1 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 0 -20.763807 1.5959766 0.5628383 1 215 1 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 0 -21.158785 2.32334 -0.5509082 1 216 1 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 0 -19.765884 0.64650834 0.41408008 1 217 1 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 0 -20.564919 2.1079047 -1.7784147 1 218 1 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 0 -19.169947 0.4308796 -0.8116703 1 219 1 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 0 -19.572254 1.1591364 -1.9092443 1 220 1 +ATOM N N . SER A0 1 30 . 30 SER A0 N 0 -21.13869 4.9808154 2.3481402 1 221 1 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 0 -20.917288 6.2720904 1.7157319 1 222 1 +ATOM C C . SER A0 1 30 . 30 SER A0 C 0 -19.940508 7.1693816 2.4705074 1 223 1 +ATOM O O . SER A0 1 30 . 30 SER A0 O 0 -19.592274 8.246611 1.9684446 1 224 1 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 0 -22.252043 7.009581 1.5304718 1 225 1 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 0 -22.85532 7.275247 2.7800808 1 226 1 +ATOM N N . SER A0 1 31 . 31 SER A0 N 0 -19.476307 6.7439938 3.6484933 1 227 1 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 0 -18.640486 7.5761213 4.502451 1 228 1 +ATOM C C . SER A0 1 31 . 31 SER A0 C 0 -17.160831 7.220404 4.4639854 1 229 1 +ATOM O O . SER A0 1 31 . 31 SER A0 O 0 -16.369686 7.816678 5.204667 1 230 1 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 0 -19.136843 7.5070734 5.950098 1 231 1 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 0 -20.452198 8.020586 6.067519 1 232 1 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 0 -16.756878 6.2654705 3.6237602 1 233 1 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 0 -15.363819 5.848008 3.5519733 1 234 1 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 0 -14.915072 5.7094164 2.10124 1 235 1 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 0 -15.68826 5.2737346 1.2437515 1 236 1 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 0 -15.151335 4.507148 4.267357 1 237 1 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 0 -15.367271 4.5682526 5.759622 1 238 1 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 0 -16.636765 4.4056625 6.304614 1 239 1 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 0 -14.306 4.8048596 6.626361 1 240 1 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 0 -16.841717 4.4804525 7.668664 1 241 1 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 0 -14.508261 4.879842 7.995432 1 242 1 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 0 -15.772565 4.70819 8.507996 1 243 1 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 0 -15.971316 4.7775993 9.852266 1 244 1 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 0 -13.660134 6.0501842 1.8427818 1 245 1 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 0 -13.058327 5.794697 0.5426975 1 246 1 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 0 -12.905514 4.2871237 0.32774168 1 247 1 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 0 -12.682755 3.5257173 1.2738433 1 248 1 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 0 -11.667455 6.4237876 0.46185267 1 249 1 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 0 -11.60536 7.90707 0.50900394 1 250 1 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 0 -11.465478 8.683201 1.6190878 1 251 1 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 0 -11.633415 8.80132 -0.6097357 1 252 1 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 0 -11.406738 10.008534 1.259875 1 253 1 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 0 -11.518885 10.109072 -0.09589553 1 254 1 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 0 -11.766961 8.62223 -1.9880131 1 255 1 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 0 -11.499052 11.231152 -0.92988086 1 256 1 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 0 -11.751934 9.739936 -2.806147 1 257 1 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 0 -11.628172 11.021809 -2.2688558 1 258 1 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 0 -13.023348 3.8432713 -0.92922187 1 259 1 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 0 -12.708986 2.464448 -1.3134137 1 260 1 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 0 -11.640454 2.5210624 -2.4056916 1 261 1 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 0 -11.787972 3.2429338 -3.3946595 1 262 1 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 0 -13.945257 1.7152145 -1.8428354 1 263 1 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 0 -15.045572 1.6758239 -0.7717991 1 264 1 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 0 -13.55841 0.30033603 -2.2884727 1 265 1 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 0 -14.69914 0.8566444 0.46327773 1 266 1 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 0 -10.554599 1.7692809 -2.1918552 1 267 1 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 0 -9.464746 1.7464302 -3.1520295 1 268 1 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 0 -9.3683605 0.4245667 -3.8782792 1 269 1 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 0 -9.915755 -0.59047914 -3.436521 1 270 1 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 0 -8.656824 0.44881946 -5.016226 1 271 1 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 0 -8.366453 -0.74885845 -5.7891827 1 272 1 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 0 -6.8579245 -0.9406601 -5.868219 1 273 1 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 0 -6.105446 0.019974884 -6.088335 1 274 1 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 0 -8.952753 -0.6527635 -7.2075214 1 275 1 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 0 -10.435175 -0.80306995 -7.26409 1 276 1 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 0 -11.364464 0.1956248 -7.292534 1 277 1 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 0 -11.167441 -2.033259 -7.3077626 1 278 1 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 0 -12.628283 -0.33566466 -7.34365 1 279 1 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 0 -12.538614 -1.6942871 -7.3562956 1 280 1 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 0 -10.797099 -3.3749344 -7.316816 1 281 1 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 0 -13.541222 -2.6665344 -7.410116 1 282 1 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 0 -11.793704 -4.339671 -7.3719716 1 283 1 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 0 -13.143622 -3.975204 -7.4221764 1 284 1 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 0 -6.444437 -2.1837091 -5.692049 1 285 1 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 0 -5.0289946 -2.5456533 -5.6979628 1 286 1 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 0 -4.823502 -3.7098503 -6.6646166 1 287 1 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 0 -5.5603266 -4.708464 -6.6017866 1 288 1 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 0 -4.54591 -2.9340987 -4.285924 1 289 1 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 0 -3.097796 -3.411758 -4.3255234 1 290 1 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 0 -4.6985893 -1.7539332 -3.3295393 1 291 1 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 0 -3.8292809 -3.6000066 -7.552301 1 292 1 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 0 -3.4937034 -4.66195 -8.493782 1 293 1 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 0 -2.3085997 -5.467389 -7.9828005 1 294 1 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 0 -1.3727866 -4.913398 -7.4056015 1 295 1 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 0 -3.1491294 -4.0814652 -9.871029 1 296 1 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 0 -2.8155117 -5.1551533 -10.919166 1 297 1 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 0 -2.420728 -4.518575 -12.2435055 1 298 1 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 0 -1.0550753 -3.9714386 -12.202379 1 299 1 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 0 -0.4588269 -3.4088361 -13.259836 1 300 1 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 0 -1.0951972 -3.326145 -14.431779 1 301 1 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 0 0.77484727 -2.9339578 -13.1271105 1 302 1 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 0 -2.3529763 -6.783105 -8.204186 1 303 1 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 0 -1.214977 -7.6450114 -7.8959374 1 304 1 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 0 -1.0126448 -8.611601 -9.060677 1 305 1 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 0 -1.7614956 -9.571 -9.218817 1 306 1 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 0 -1.4277976 -8.409494 -6.5898027 1 307 1 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 0 -0.18936627 -9.190697 -6.164016 1 308 1 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 0 -0.30354917 -9.726305 -4.757921 1 309 1 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 0 -1.345982 -10.247209 -4.364743 1 310 1 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 0 0.77086544 -9.583338 -3.9752269 1 311 1 +ATOM N N . MET A0 1 40 . 40 MET A0 N 0 -0.0014408957 -8.330481 -9.866608 1 312 1 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 0 0.3054521 -9.205824 -11.0029335 1 313 1 +ATOM C C . MET A0 1 40 . 40 MET A0 C 0 0.9336876 -10.49665 -10.495655 1 314 1 +ATOM O O . MET A0 1 40 . 40 MET A0 O 0 1.4889247 -10.532127 -9.397478 1 315 1 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 0 1.2299907 -8.490881 -11.987893 1 316 1 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 0 0.5848259 -7.237714 -12.582285 1 317 1 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 0 1.6151658 -6.415739 -13.813954 1 318 1 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 0 1.4010764 -7.5308313 -15.212179 1 319 1 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 0 0.84415174 -11.5815325 -11.270851 1 320 1 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 0 1.3435783 -12.877754 -10.785938 1 321 1 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 0 2.7941575 -12.807768 -10.31739 1 322 1 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 0 3.6813731 -12.372591 -11.045151 1 323 1 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 0 1.1913197 -13.789412 -12.006079 1 324 1 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 0 0.037617087 -13.199306 -12.764214 1 325 1 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 0 0.1887191 -11.7030325 -12.5928545 1 326 1 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 0 3.0125499 -13.230293 -9.073931 1 327 1 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 0 4.3397083 -13.2555485 -8.486567 1 328 1 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 0 4.917557 -11.9031105 -8.132687 1 329 1 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 0 6.1023445 -11.816406 -7.791072 1 330 1 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 0 4.102252 -10.848895 -8.199291 1 331 1 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 0 4.580942 -9.49222 -7.938257 1 332 1 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 0 3.9403822 -8.905155 -6.683982 1 333 1 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 0 3.067851 -9.52162 -6.0577955 1 334 1 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 0 4.2926807 -8.58643 -9.140063 1 335 1 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 0 4.8648496 -9.093941 -10.457701 1 336 1 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 0 6.3979936 -9.122826 -10.427323 1 337 1 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 0 6.962146 -9.557194 -11.770305 1 338 1 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 0 8.4322605 -9.590615 -11.762833 1 339 1 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 0 4.3741283 -7.7024007 -6.319008 1 340 1 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 0 3.843041 -7.027237 -5.147968 1 341 1 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 0 2.5838575 -6.2325335 -5.4449234 1 342 1 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 0 1.9366753 -6.414387 -6.4849653 1 343 1 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 0 2.2361822 -5.3460293 -4.5209227 1 344 1 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 0 0.9970416 -4.596163 -4.5894666 1 345 1 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 0 1.188031 -3.2634163 -5.3012886 1 346 1 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 0 2.1847506 -2.572532 -5.0821238 1 347 1 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 0 0.45524874 -4.3479385 -3.1762495 1 348 1 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 0 0.22905353 -5.6029844 -2.322941 1 349 1 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 0 -0.04215668 -5.1973786 -0.876307 1 350 1 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 0 -0.9173418 -6.425805 -2.8828185 1 351 1 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 0 0.21109293 -2.8928773 -6.144066 1 352 1 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 0 0.22243889 -1.6259142 -6.8620806 1 353 1 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 0 -1.1142756 -0.92331505 -6.640698 1 354 1 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 0 -2.1605835 -1.4563421 -7.0248914 1 355 1 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 0 0.43282342 -1.8430281 -8.362657 1 356 1 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 0 1.7131741 -2.5673416 -8.740528 1 357 1 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 0 1.7567611 -2.8731875 -10.22471 1 358 1 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 0 1.2604343 -3.9491935 -10.625395 1 359 1 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 0 2.2782545 -2.0249653 -10.985895 1 360 1 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 0 -1.0738847 0.25037396 -6.0484033 1 361 1 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 0 -2.2850282 1.0340638 -5.8534145 1 362 1 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 0 -2.7500315 1.600288 -7.189418 1 363 1 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 0 -1.9753098 2.2044945 -7.923176 1 364 1 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 0 -2.026577 2.1672182 -4.8506055 1 365 1 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 0 -3.2110782 3.0493581 -4.64513 1 366 1 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 0 -4.3533487 2.733731 -3.96839 1 367 1 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 0 -3.3934488 4.382207 -5.108879 1 368 1 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 0 -5.205738 3.7989974 -3.9891028 1 369 1 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 0 -4.651398 4.8257713 -4.6912107 1 370 1 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 0 -2.5939465 5.260784 -5.862278 1 371 1 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 0 -5.1288366 6.099253 -4.9797497 1 372 1 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 0 -3.0750523 6.5263004 -6.1481385 1 373 1 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 0 -4.3329 6.9286556 -5.7091565 1 374 1 +ATOM N N . MET A0 1 48 . 48 MET A0 N 0 -4.0224752 1.3951225 -7.501666 1 375 1 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 0 -4.5916185 1.8306129 -8.774262 1 376 1 +ATOM C C . MET A0 1 48 . 48 MET A0 C 0 -5.3489785 3.1419291 -8.652135 1 377 1 +ATOM O O . MET A0 1 48 . 48 MET A0 O 0 -5.1610436 4.0466175 -9.472655 1 378 1 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 0 -5.5257764 0.7566383 -9.345062 1 379 1 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 0 -4.8510303 -0.5763774 -9.583923 1 380 1 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 0 -6.0111823 -1.8224888 -10.189747 1 381 1 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 0 -6.3277864 -1.1915078 -11.837046 1 382 1 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 0 -6.188008 3.246926 -7.6881695 1 383 1 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 0 -6.9989843 4.4378586 -7.5063677 1 384 1 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 0 -7.961964 4.2669387 -6.353922 1 385 1 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 0 -7.962827 3.241346 -5.6591377 1 386 1 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 0 -8.778889 5.27851 -6.1531315 1 387 1 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 0 -9.651955 5.3170285 -4.9914594 1 388 1 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 0 -10.906176 6.1215825 -5.323633 1 389 1 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 0 -10.873922 7.0064697 -6.1918397 1 390 1 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 0 -8.89267 5.9048905 -3.777803 1 391 1 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 0 -9.575342 5.547867 -2.4546366 1 392 1 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 0 -8.691841 7.4116745 -3.9448729 1 393 1 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 0 -8.667328 5.786213 -1.243171 1 394 1 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 0 -12.01014 5.8116474 -4.657527 1 395 1 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 0 -13.258367 6.5418553 -4.8696814 1 396 1 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 0 -13.948953 6.7498255 -3.5294933 1 397 1 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 0 -13.871177 5.9023533 -2.634656 1 398 1 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 0 -14.196147 5.797168 -5.855439 1 399 1 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 0 -15.407652 6.665236 -6.214926 1 400 1 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 0 -14.650282 4.447535 -5.274335 1 401 1 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 0 -16.2435 6.125705 -7.365556 1 402 1 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 0 -14.6024 7.9200497 -3.3766403 1 403 1 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 0 -15.442846 8.182897 -2.211969 1 404 1 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 0 -16.896059 7.9706717 -2.6331801 1 405 1 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 0 -17.441288 8.775436 -3.3979583 1 406 1 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 0 -15.236092 9.600344 -1.6927307 1 407 1 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 0 -15.813504 9.818512 -0.31546217 1 408 1 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 0 -17.01592 10.477222 -0.1475926 1 409 1 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 0 -15.145994 9.365402 0.80056906 1 410 1 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 0 -17.548773 10.671703 1.1188169 1 411 1 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 0 -15.66848 9.555972 2.069984 1 412 1 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 0 -16.873466 10.209262 2.2256982 1 413 1 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 0 -17.54575 6.874305 -2.1873837 1 414 1 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 0 -18.869541 6.542393 -2.7109547 1 415 1 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 0 -19.935184 7.60749 -2.4847398 1 416 1 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 0 -20.88487 7.6879897 -3.2690756 1 417 1 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 0 -19.216963 5.241371 -1.9726772 1 418 1 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 0 -17.899052 4.649253 -1.6080806 1 419 1 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 0 -17.031178 5.8397202 -1.2860297 1 420 1 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 0 -19.8116 8.430763 -1.4353119 1 421 1 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 0 -20.826664 9.419516 -1.1243215 1 422 1 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 0 -21.104134 10.396713 -2.2488382 1 423 1 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 0 -22.262043 10.727688 -2.5186281 1 424 1 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 0 -20.039135 10.886709 -2.9265864 1 425 1 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 0 -20.204231 11.81296 -4.034423 1 426 1 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 0 -19.433556 11.39573 -5.2842264 1 427 1 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 0 -19.324614 12.177133 -6.2280283 1 428 1 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 0 -19.803823 13.24086 -3.6142511 1 429 1 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 0 -18.337078 13.355463 -3.2301915 1 430 1 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 0 -17.602682 12.346039 -3.3121412 1 431 1 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 0 -17.910273 14.4675255 -2.8529782 1 432 1 +ATOM N N . SER A0 1 56 . 56 SER A0 N 0 -18.912136 10.179512 -5.2851505 1 433 1 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 0 -18.192623 9.600669 -6.419631 1 434 1 +ATOM C C . SER A0 1 56 . 56 SER A0 C 0 -16.93574 10.377387 -6.8122144 1 435 1 +ATOM O O . SER A0 1 56 . 56 SER A0 O 0 -16.504805 10.335766 -7.9669876 1 436 1 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 0 -19.11089 9.436026 -7.632375 1 437 1 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 0 -20.122862 8.482723 -7.361137 1 438 1 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 0 -16.330025 11.065594 -5.8587646 1 439 1 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 0 -15.030069 11.697296 -6.070811 1 440 1 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 0 -13.9910555 10.599422 -6.3096285 1 441 1 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 0 -13.997355 9.570442 -5.622698 1 442 1 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 0 -14.64997 12.535504 -4.845601 1 443 1 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 0 -13.455919 13.43952 -5.067984 1 444 1 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 0 -12.939586 13.506187 -6.2111864 1 445 1 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 0 -13.034322 14.103531 -4.1007414 1 446 1 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 0 -13.108964 10.806801 -7.3044205 1 447 1 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 0 -12.142353 9.78513 -7.708789 1 448 1 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 0 -10.7261505 10.327135 -7.7334604 1 449 1 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 0 -10.497763 11.494682 -8.038757 1 450 1 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 0 -12.472031 9.253462 -9.110207 1 451 1 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 0 -13.882647 8.757412 -9.310461 1 452 1 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 0 -14.128697 8.440609 -10.78096 1 453 1 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 0 -15.56181 8.007727 -11.031094 1 454 1 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 0 -16.510849 9.131896 -10.840408 1 455 1 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 0 -9.771456 9.4395075 -7.446442 1 456 1 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 0 -8.364059 9.739838 -7.6189995 1 457 1 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 0 -7.6693063 8.515898 -8.187984 1 458 1 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 0 -7.9477644 7.385728 -7.759197 1 459 1 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 0 -7.6940756 10.129041 -6.288327 1 460 1 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 0 -8.306904 11.338673 -5.599896 1 461 1 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 0 -8.0445385 12.631864 -6.3479867 1 462 1 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 0 -8.505162 13.797981 -5.6017804 1 463 1 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 0 -9.740963 14.27129 -5.660284 1 464 1 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 0 -10.654247 13.6904125 -6.446307 1 465 1 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 0 -10.079715 15.317272 -4.9508815 1 466 1 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 0 -6.7751904 8.691443 -9.150795 1 467 1 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 0 -6.0707045 7.586953 -9.780797 1 468 1 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 0 -4.561806 7.735402 -9.626436 1 469 1 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 0 -4.0397587 8.85317 -9.627776 1 470 1 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 0 -6.393267 7.51646 -11.281832 1 471 1 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 0 -7.832575 7.22437 -11.620939 1 472 1 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 0 -8.727467 8.261644 -11.870689 1 473 1 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 0 -8.292566 5.9212236 -11.714689 1 474 1 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 0 -10.050698 8.006222 -12.1883955 1 475 1 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 0 -9.613361 5.649868 -12.033806 1 476 1 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 0 -10.479778 6.695879 -12.270323 1 477 1 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 0 -11.787249 6.4409947 -12.590746 1 478 1 +ATOM N N . SER A0 1 61 . 61 SER A0 N 0 -3.8957973 6.598586 -9.511467 1 479 1 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 0 -2.4471235 6.596545 -9.643288 1 480 1 +ATOM C C . SER A0 1 61 . 61 SER A0 C 0 -2.0858352 7.0607405 -11.053078 1 481 1 +ATOM O O . SER A0 1 61 . 61 SER A0 O 0 -2.7762551 6.7045746 -12.009744 1 482 1 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 0 -1.8946058 5.194991 -9.397101 1 483 1 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 0 -0.5610003 5.079232 -9.869476 1 484 1 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 0 -1.0175182 7.8651867 -11.205863 1 485 1 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 0 -0.62167156 8.261547 -12.560924 1 486 1 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 0 -0.3830229 7.071063 -13.481252 1 487 1 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 0 -0.6069187 7.1725955 -14.695524 1 488 1 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 0 0.66865146 9.057125 -12.322302 1 489 1 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 0 0.52838075 9.578583 -10.932329 1 490 1 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 0 -0.19417453 8.507774 -10.172758 1 491 1 +ATOM N N . SER A0 1 63 . 63 SER A0 N 0 0.05346702 5.9315357 -12.936224 1 492 1 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 0 0.30767074 4.7380266 -13.741176 1 493 1 +ATOM C C . SER A0 1 63 . 63 SER A0 C 0 -0.9737284 4.09315 -14.265732 1 494 1 +ATOM O O . SER A0 1 63 . 63 SER A0 O 0 -0.90873075 3.2830024 -15.191443 1 495 1 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 0 1.0931928 3.7161567 -12.926004 1 496 1 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 0 2.3616245 4.226391 -12.5480585 1 497 1 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 0 -2.1154575 4.427103 -13.683155 1 498 1 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 0 -3.38273 3.8247232 -14.085377 1 499 1 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 0 -4.3857355 4.8373284 -14.628863 1 500 1 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 0 -5.4348516 4.4362144 -15.120293 1 501 1 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 0 -4.0039883 3.0491238 -12.914396 1 502 1 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 0 -3.2149076 1.8216741 -12.539783 1 503 1 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 0 -2.233744 1.8736832 -11.560137 1 504 1 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 0 -3.4425392 0.6128334 -13.179804 1 505 1 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 0 -1.4855591 0.74791354 -11.225948 1 506 1 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 0 -2.7037706 -0.51249146 -12.847013 1 507 1 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 0 -1.7279315 -0.44723046 -11.868252 1 508 1 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 0 -4.0546856 6.1343594 -14.567663 1 509 1 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 0 -4.933975 7.174286 -15.086168 1 510 1 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 0 -5.2009563 6.9332037 -16.573345 1 511 1 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 0 -4.2644386 6.7934833 -17.35876 1 512 1 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 0 -4.306444 8.549253 -14.882769 1 513 1 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 0 -5.1445446 9.697271 -15.416313 1 514 1 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 0 -6.370466 9.977432 -14.564921 1 515 1 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 0 -6.269259 10.122245 -13.352996 1 516 1 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 0 -7.5266695 10.041969 -15.211874 1 517 1 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 0 -6.468298 6.879365 -16.941471 1 518 1 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 0 -6.849927 6.648407 -18.322618 1 519 1 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 0 -6.8619604 5.1965666 -18.742966 1 520 1 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 0 -7.2801676 4.8938956 -19.866795 1 521 1 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 0 -6.3914366 4.296848 -17.873524 1 522 1 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 0 -6.3421006 2.8721886 -18.201788 1 523 1 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 0 -7.5648403 2.1374326 -17.686954 1 524 1 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 0 -7.9691277 1.1361017 -18.287903 1 525 1 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 0 -5.074789 2.2355156 -17.623734 1 526 1 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 0 -3.792438 2.975175 -17.983747 1 527 1 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 0 -3.600844 3.0898492 -19.481392 1 528 1 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 0 -3.76307 2.1235738 -20.219177 1 529 1 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 0 -3.269774 4.3075843 -19.94516 1 530 1 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 0 -8.116854 2.5928416 -16.582308 1 531 1 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 0 -9.298594 2.0055761 -15.970869 1 532 1 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 0 -10.217213 3.1259375 -15.506819 1 533 1 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 0 -9.804479 4.2824345 -15.403982 1 534 1 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 0 -8.947925 1.0912232 -14.773175 1 535 1 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 0 -8.17466 -0.14375004 -15.234442 1 536 1 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 0 -8.159385 1.8779129 -13.730678 1 537 1 +ATOM N N . THR A0 1 69 . 69 THR A0 N 0 -11.466803 2.771087 -15.211226 1 538 1 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 0 -12.417622 3.718501 -14.648651 1 539 1 +ATOM C C . THR A0 1 69 . 69 THR A0 C 0 -12.9790535 3.1320302 -13.359418 1 540 1 +ATOM O O . THR A0 1 69 . 69 THR A0 O 0 -13.406937 1.9780581 -13.334847 1 541 1 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 0 -13.565791 4.0122356 -15.630936 1 542 1 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 0 -13.033306 4.594968 -16.825731 1 543 1 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 0 -14.578878 4.973513 -15.008764 1 544 1 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 0 -12.933318 3.9233904 -12.282831 1 545 1 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 0 -13.516921 3.5245593 -11.010126 1 546 1 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 0 -14.846928 4.254079 -10.846586 1 547 1 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 0 -14.941735 5.450465 -11.129654 1 548 1 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 0 -12.568998 3.8556495 -9.834782 1 549 1 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 0 -11.234139 3.122822 -10.015297 1 550 1 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 0 -13.213992 3.488878 -8.502832 1 551 1 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 0 -10.156528 3.5462394 -9.020197 1 552 1 +ATOM N N . SER A0 1 71 . 71 SER A0 N 0 -15.866667 3.541469 -10.39848 1 553 1 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 0 -17.179628 4.1359463 -10.175301 1 554 1 +ATOM C C . SER A0 1 71 . 71 SER A0 C 0 -17.836384 3.496011 -8.964426 1 555 1 +ATOM O O . SER A0 1 71 . 71 SER A0 O 0 -17.355755 2.4890978 -8.443991 1 556 1 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 0 -18.07492 3.9833915 -11.413412 1 557 1 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 0 -18.283657 2.616185 -11.724297 1 558 1 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 0 -18.92527 4.102605 -8.504956 1 559 1 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 0 -19.624668 3.5880966 -7.3390627 1 560 1 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 0 -21.130936 3.7621589 -7.4823685 1 561 1 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 0 -21.601988 4.6826453 -8.145048 1 562 1 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 0 -19.14096 4.284713 -6.0645967 1 563 1 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 0 -21.867659 2.8575864 -6.8756423 1 564 1 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 0 -23.322594 2.9522321 -6.7671833 1 565 1 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 0 -23.64495 2.807145 -5.2823086 1 566 1 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 0 -23.705555 1.6964993 -4.759956 1 567 1 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 0 -24.017235 1.8603625 -7.587254 1 568 1 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 0 -25.533333 2.0065544 -7.604981 1 569 1 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 0 -26.074997 2.7431571 -6.756497 1 570 1 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 0 -26.179203 1.3840935 -8.472939 1 571 1 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 0 -23.824158 3.9659688 -4.618062 1 572 1 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 0 -24.026821 3.9184742 -3.1768637 1 573 1 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 0 -25.366287 3.297997 -2.785444 1 574 1 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 0 -25.525185 2.8547032 -1.6447843 1 575 1 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 0 -23.89471 5.3199396 -2.5646377 1 576 1 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 0 -24.890484 6.338422 -3.091149 1 577 1 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 0 -24.608742 7.714758 -2.4776978 1 578 1 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 0 -25.534828 8.7616825 -3.0557685 1 579 1 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 0 -25.230465 10.111081 -2.5080407 1 580 1 +ATOM N N . SER A0 1 75 . 75 SER A0 N 0 -26.337505 3.2329412 -3.7310376 1 581 1 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 0 -27.637316 2.6450803 -3.4151602 1 582 1 +ATOM C C . SER A0 1 75 . 75 SER A0 C 0 -27.541214 1.1400323 -3.1639018 1 583 1 +ATOM O O . SER A0 1 75 . 75 SER A0 O 0 -28.378948 0.57899904 -2.454245 1 584 1 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 0 -28.640507 2.9184833 -4.5416946 1 585 1 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 0 -28.331068 2.182181 -5.705749 1 586 1 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 0 -26.519142 0.48125473 -3.7550406 1 587 1 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 0 -26.309813 -0.9420024 -3.524557 1 588 1 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 0 -24.946632 -1.2149408 -2.903547 1 589 1 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 0 -24.46067 -2.3533 -2.9263859 1 590 1 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 0 -26.471148 -1.7672596 -4.8267865 1 591 1 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 0 -25.536415 -1.2694345 -5.9095483 1 592 1 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 0 -27.92284 -1.7258509 -5.2966685 1 593 1 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 0 -25.467682 -2.1648955 -7.139839 1 594 1 +ATOM N N . SER A0 1 77 . 77 SER A0 N 0 -24.327358 -0.17947535 -2.3359082 1 595 1 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 0 -23.066687 -0.30080226 -1.6136684 1 596 1 +ATOM C C . SER A0 1 77 . 77 SER A0 C 0 -22.005058 -1.0294424 -2.4298618 1 597 1 +ATOM O O . SER A0 1 77 . 77 SER A0 O 0 -21.289972 -1.8899852 -1.9120581 1 598 1 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 0 -23.28492 -1.0092763 -0.27357057 1 599 1 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 0 -24.210392 -0.315087 0.54089314 1 600 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 -21.879292 -0.650923 -3.7091353 1 601 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 -20.974327 -1.3492113 -4.6067533 1 602 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 -20.057901 -0.3724842 -5.3465414 1 603 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 -20.511415 0.6576619 -5.8535337 1 604 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 -21.755043 -2.1973453 -5.621313 1 605 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 -22.564804 -3.1473224 -4.9074793 1 606 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -20.818932 -2.9560652 -6.554151 1 607 1 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 0 -18.774239 -0.7274476 -5.4043794 1 608 1 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 0 -17.77743 -0.00034528924 -6.1727395 1 609 1 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 0 -17.334366 -0.8814633 -7.3358965 1 610 1 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 0 -17.292273 -2.1087902 -7.2080774 1 611 1 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 0 -16.575872 0.39203686 -5.285512 1 612 1 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 0 -17.01099 1.4308672 -4.259882 1 613 1 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 0 -15.4349375 0.93819624 -6.1184883 1 614 1 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 0 -16.994957 -0.25159147 -8.488747 1 615 1 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 0 -16.626083 -0.9759003 -9.694944 1 616 1 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 0 -15.262028 -0.5477179 -10.219786 1 617 1 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 0 -14.843557 0.5997195 -10.0399885 1 618 1 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 0 -17.66388 -0.76161283 -10.80636 1 619 1 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 0 -19.07108 -1.143275 -10.420962 1 620 1 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 0 -19.973352 -0.17880577 -9.985191 1 621 1 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 0 -19.495129 -2.4586263 -10.505344 1 622 1 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 0 -21.265797 -0.52428246 -9.631702 1 623 1 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 0 -20.787453 -2.813468 -10.155177 1 624 1 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 0 -21.668385 -1.8438276 -9.721975 1 625 1 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 0 -22.941624 -2.181284 -9.370613 1 626 1 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 0 -14.600505 -1.4865617 -10.871305 1 627 1 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 0 -13.379921 -1.2339464 -11.624768 1 628 1 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 0 -13.64146 -1.699162 -13.05055 1 629 1 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 0 -14.032324 -2.8541107 -13.256617 1 630 1 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 0 -12.193629 -1.9923081 -11.025827 1 631 1 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 0 -10.835754 -1.7957735 -11.714759 1 632 1 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 0 -9.809742 -2.7630713 -11.120171 1 633 1 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 0 -10.358065 -0.35718364 -11.582016 1 634 1 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 0 -13.444458 -0.8032272 -14.035001 1 635 1 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 0 -13.861978 -1.0901682 -15.402882 1 636 1 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 0 -12.7456045 -0.83988905 -16.407343 1 637 1 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 0 -11.989578 0.13318413 -16.28055 1 638 1 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 0 -15.093183 -0.25253195 -15.772853 1 639 1 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 0 -15.623573 -0.51420176 -17.170567 1 640 1 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 0 -16.899178 0.24567142 -17.46642 1 641 1 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 0 -17.595032 0.68722236 -16.5492 1 642 1 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 0 -17.228779 0.40598756 -18.732807 1 643 1 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 0 -12.647617 -1.7137321 -17.403698 1 644 1 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 0 -11.787167 -1.5518069 -18.565014 1 645 1 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 0 -12.671877 -1.4511118 -19.808508 1 646 1 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 0 -13.63261 -2.226554 -19.955784 1 647 1 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 0 -10.856413 -2.756239 -18.746475 1 648 1 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 0 -9.834148 -2.9915414 -17.676962 1 649 1 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 0 -8.522947 -2.636313 -17.707256 1 650 1 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 0 -10.025438 -3.663279 -16.433287 1 651 1 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 0 -7.905025 -3.0556264 -16.557606 1 652 1 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 0 -8.803977 -3.6770597 -15.758657 1 653 1 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 0 -11.151587 -4.251745 -15.823172 1 654 1 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 0 -8.646593 -4.2683296 -14.506844 1 655 1 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 0 -10.9888 -4.8336706 -14.575502 1 656 1 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 0 -9.747263 -4.8259478 -13.935181 1 657 1 +ATOM N N . SER A0 1 84 . 84 SER A0 N 0 -12.33865 -0.5458598 -20.700405 1 658 1 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 0 -13.060717 -0.47475785 -21.972366 1 659 1 +ATOM C C . SER A0 1 84 . 84 SER A0 C 0 -12.456419 -1.4066024 -23.015888 1 660 1 +ATOM O O . SER A0 1 84 . 84 SER A0 O 0 -13.154962 -1.8421512 -23.933846 1 661 1 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 0 -13.050699 0.96033865 -22.507284 1 662 1 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 0 -11.731438 1.38667 -22.76412 1 663 1 +ATOM N N . SER A0 1 85 . 85 SER A0 N 0 -11.169439 -1.703915 -22.867678 1 664 1 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 0 -10.468441 -2.6010318 -23.798424 1 665 1 +ATOM C C . SER A0 1 85 . 85 SER A0 C 0 -9.337475 -3.2927234 -23.043365 1 666 1 +ATOM O O . SER A0 1 85 . 85 SER A0 O 0 -8.299707 -2.6842737 -22.783375 1 667 1 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 0 -9.931696 -1.8258584 -24.999325 1 668 1 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 0 -9.286726 -2.6973352 -25.921741 1 669 1 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 0 -9.535869 -4.561571 -22.720654 1 670 1 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 0 -8.566511 -5.31109 -21.935186 1 671 1 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 0 -7.320567 -5.651541 -22.751968 1 672 1 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 0 -7.393223 -5.8756466 -23.963825 1 673 1 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 0 -9.198181 -6.6039104 -21.41359 1 674 1 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 0 -10.202862 -6.4504414 -20.269138 1 675 1 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 0 -11.067753 -7.702701 -20.168694 1 676 1 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 0 -9.460846 -6.2049837 -18.955803 1 677 1 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 0 -6.182541 -5.6858244 -22.055285 1 678 1 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 0 -4.9088 -6.132241 -22.611488 1 679 1 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 0 -4.456352 -7.383758 -21.86713 1 680 1 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 0 -4.8499155 -7.6089582 -20.724588 1 681 1 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 0 -3.8428893 -5.042656 -22.47496 1 682 1 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 0 -4.20802 -3.7076828 -23.104345 1 683 1 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 0 -3.153616 -2.6585183 -22.777302 1 684 1 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 0 -3.4985948 -1.317127 -23.375383 1 685 1 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 0 -2.503017 -0.2842356 -23.00175 1 686 1 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 0 -3.609322 -8.179361 -22.532772 1 687 1 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 0 -3.0792365 -9.372683 -21.872118 1 688 1 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 0 -2.3327265 -9.007416 -20.592987 1 689 1 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 0 -2.3337498 -9.772507 -19.627075 1 690 1 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 0 -2.1646738 -10.13994 -22.828754 1 691 1 +ATOM N N . SER A0 1 89 . 89 SER A0 N 0 -1.7018561 -7.819826 -20.58577 1 692 1 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 0 -0.9545324 -7.37159 -19.419685 1 693 1 +ATOM C C . SER A0 1 89 . 89 SER A0 C 0 -1.8543375 -6.982687 -18.249538 1 694 1 +ATOM O O . SER A0 1 89 . 89 SER A0 O 0 -1.3397241 -6.66351 -17.169132 1 695 1 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 0 -0.04538964 -6.1912518 -19.794228 1 696 1 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 0 -0.7950239 -5.1062155 -20.296629 1 697 1 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 0 -3.1707654 -6.990513 -18.438934 1 698 1 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 0 -4.0988884 -6.737525 -17.34174 1 699 1 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 0 -4.35466 -7.9875727 -16.499924 1 700 1 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 0 -5.0914826 -7.9135027 -15.509989 1 701 1 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 0 -5.4404902 -6.2026305 -17.875902 1 702 1 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 0 -5.313256 -4.8034883 -18.446857 1 703 1 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 0 -5.9276123 -4.538593 -19.50859 1 704 1 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 0 -4.6129365 -3.9668262 -17.830877 1 705 1 +ATOM N N . THR A0 1 91 . 91 THR A0 N 0 -3.7772813 -9.122131 -16.87843 1 706 1 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 0 -3.9263039 -10.345367 -16.104017 1 707 1 +ATOM C C . THR A0 1 91 . 91 THR A0 C 0 -3.3243911 -10.138197 -14.718565 1 708 1 +ATOM O O . THR A0 1 91 . 91 THR A0 O 0 -2.1311655 -9.869059 -14.586904 1 709 1 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 0 -3.2459335 -11.526963 -16.81254 1 710 1 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 0 -3.8930995 -11.773057 -18.064892 1 711 1 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 0 -3.2958362 -12.784754 -15.952887 1 712 1 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 0 -4.1541824 -10.24795 -13.694742 1 713 1 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 0 -3.7078915 -9.99188 -12.330734 1 714 1 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 0 -4.8437567 -10.26034 -11.358069 1 715 1 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 0 -5.995226 -10.436138 -11.7588625 1 716 1 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 0 -3.2275841 -8.539261 -12.174211 1 717 1 +ATOM N N . MET A0 1 93 . 93 MET A0 N 0 -4.4944606 -10.282233 -10.066864 1 718 1 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 0 -5.4919424 -10.279061 -9.001846 1 719 1 +ATOM C C . MET A0 1 93 . 93 MET A0 C 0 -5.785152 -8.83393 -8.6457815 1 720 1 +ATOM O O . MET A0 1 93 . 93 MET A0 O 0 -4.8603406 -8.01074 -8.521854 1 721 1 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 0 -4.9693375 -11.0289955 -7.775273 1 722 1 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 0 -5.9828086 -11.13739 -6.638315 1 723 1 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 0 -7.304284 -12.2997875 -6.997985 1 724 1 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 0 -6.428286 -13.853189 -6.779442 1 725 1 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 0 -7.061058 -8.499323 -8.507326 1 726 1 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 0 -7.478532 -7.147951 -8.152511 1 727 1 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 0 -8.21349 -7.168764 -6.8161116 1 728 1 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 0 -9.153289 -7.948531 -6.627556 1 729 1 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 0 -8.364602 -6.545131 -9.252745 1 730 1 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 0 -7.6136 -6.341701 -10.545537 1 731 1 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 0 -7.516312 -7.3606453 -11.488113 1 732 1 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 0 -6.958696 -5.1447906 -10.804457 1 733 1 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 0 -6.7913327 -7.1891003 -12.658816 1 734 1 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 0 -6.232874 -4.959818 -11.974691 1 735 1 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 0 -6.1544876 -5.9876075 -12.894886 1 736 1 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 0 -5.431106 -5.816467 -14.04921 1 737 1 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 0 -7.759282 -6.3198376 -5.8907657 1 738 1 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 0 -8.360838 -6.217902 -4.571291 1 739 1 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 0 -9.020475 -4.8590946 -4.3772945 1 740 1 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 0 -8.479012 -3.8368652 -4.806361 1 741 1 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 0 -7.301413 -6.37866 -3.470318 1 742 1 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 0 -6.6425257 -7.7282248 -3.3980956 1 743 1 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 0 -5.3676744 -7.9311275 -3.9183738 1 744 1 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 0 -7.2743187 -8.800307 -2.778915 1 745 1 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 0 -4.751539 -9.166798 -3.8310728 1 746 1 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 0 -6.6622124 -10.037297 -2.690226 1 747 1 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 0 -5.4041443 -10.210603 -3.217339 1 748 1 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 0 -4.7933145 -11.42584 -3.1313765 1 749 1 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 0 -10.176236 -4.836815 -3.72937 1 750 1 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 0 -10.7326565 -3.5925999 -3.2080946 1 751 1 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 0 -10.469007 -3.5595574 -1.7113786 1 752 1 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 0 -10.301931 -4.606394 -1.0735583 1 753 1 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 0 -12.232847 -3.46785 -3.503645 1 754 1 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 0 -13.280371 -4.7162876 -2.747041 1 755 1 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 0 -10.379414 -2.3436325 -1.1530514 1 756 1 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 0 -10.085536 -2.2093835 0.26592308 1 757 1 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 0 -10.635433 -0.8864229 0.78910697 1 758 1 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 0 -10.627172 0.1206821 0.07865699 1 759 1 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 0 -8.579839 -2.2985902 0.5186153 1 760 1 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 0 -11.121643 -0.8921987 2.0487118 1 761 1 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 0 -11.652405 0.31224072 2.6707392 1 762 1 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 0 -10.515898 1.176429 3.1808162 1 763 1 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 0 -9.635912 0.6992762 3.9094214 1 764 1 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 0 -12.598643 -0.041783564 3.8267074 1 765 1 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 0 -13.335037 1.175072 4.383941 1 766 1 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 0 -14.253228 0.79911846 5.5291033 1 767 1 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 0 -13.513216 0.61398494 6.7714896 1 768 1 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 0 -14.077436 0.53644896 7.9702997 1 769 1 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 0 -15.395304 0.64826286 8.094072 1 770 1 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 0 -13.327002 0.35211086 9.039596 1 771 1 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 0 -10.537017 2.4518933 2.7862368 1 772 1 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 0 -9.479412 3.390758 3.1417313 1 773 1 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 0 -9.892483 4.251289 4.3332005 1 774 1 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 0 -10.912912 4.9474335 4.276247 1 775 1 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 0 -9.142531 4.2866726 1.9453299 1 776 1 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 0 -7.946414 5.1657324 2.1527114 1 777 1 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 0 -8.02486 6.5451174 2.103231 1 778 1 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 0 -6.654712 4.8722067 2.377368 1 779 1 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 0 -6.8170676 7.0568585 2.3009639 1 780 1 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 0 -5.9618573 6.0582256 2.4699266 1 781 1 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 0 -9.110244 4.1862345 5.397383 1 782 1 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 0 -9.312717 4.9982023 6.59114 1 783 1 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 0 -8.374308 6.204403 6.5254116 1 784 1 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 0 -7.1783314 6.0407615 6.2792745 1 785 1 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 0 -9.036668 4.2011247 7.8784013 1 786 1 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 0 -9.999022 3.0128236 7.993289 1 787 1 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 0 -9.124063 5.102099 9.106903 1 788 1 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 0 -11.443992 3.3965778 8.206335 1 789 1 +ATOM N N . THR A0 1 101 . 101 THR A0 N 0 -8.9307375 7.3997025 6.7340918 1 790 1 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 0 -8.113125 8.604012 6.8101816 1 791 1 +ATOM C C . THR A0 1 101 . 101 THR A0 C 0 -8.129191 9.11452 8.252051 1 792 1 +ATOM O O . THR A0 1 101 . 101 THR A0 O 0 -9.165442 9.565844 8.747944 1 793 1 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 0 -8.628876 9.707464 5.8679314 1 794 1 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 0 -10.025872 9.914763 6.088878 1 795 1 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 0 -8.404806 9.323211 4.4121504 1 796 1 +ATOM N N . THR A0 1 102 . 102 THR A0 N 0 -6.980895 9.036685 8.928207 1 797 1 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 0 -6.888792 9.54749 10.293232 1 798 1 +ATOM C C . THR A0 1 102 . 102 THR A0 C 0 -6.837181 11.0695305 10.304752 1 799 1 +ATOM O O . THR A0 1 102 . 102 THR A0 O 0 -7.294324 11.700335 11.260189 1 800 1 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 0 -5.6650305 8.973463 11.024313 1 801 1 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 0 -4.487982 9.216396 10.258957 1 802 1 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 0 -5.819332 7.472218 11.234801 1 803 1 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 0 -6.2770705 11.65522 9.256271 1 804 1 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 0 -6.3354406 13.081192 8.990393 1 805 1 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 0 -5.9195843 13.312778 7.5470223 1 806 1 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 0 -5.6753163 12.35 6.8126335 1 807 1 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 0 -5.4761767 13.892534 9.97867 1 808 1 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 0 -4.0125475 13.582223 9.954233 1 809 1 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 0 -3.1637177 14.140699 9.012993 1 810 1 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 0 -3.245798 12.805433 10.746056 1 811 1 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 0 -1.9265836 13.70387 9.232471 1 812 1 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 0 -1.9628395 12.885199 10.279869 1 813 1 +ATOM N N . THR A0 1 104 . 104 THR A0 N 0 -5.8225307 14.569779 7.1131783 1 814 1 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 0 -5.5989103 14.892046 5.7139664 1 815 1 +ATOM C C . THR A0 1 104 . 104 THR A0 C 0 -4.3632483 14.220323 5.128037 1 816 1 +ATOM O O . THR A0 1 104 . 104 THR A0 O 0 -4.3437543 13.8827305 3.939819 1 817 1 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 0 -5.4848 16.42292 5.542858 1 818 1 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 0 -6.6655216 17.037573 6.0811453 1 819 1 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 0 -5.3470936 16.81063 4.0680923 1 820 1 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 0 -3.3343933 14.009897 5.9264736 1 821 1 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 0 -2.0517116 13.525334 5.436459 1 822 1 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 0 -1.7235925 12.099506 5.8655033 1 823 1 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 0 -0.56183267 11.693045 5.805914 1 824 1 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 0 -0.93554795 14.463936 5.902098 1 825 1 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 0 -1.2099899 15.916534 5.5891466 1 826 1 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 0 -1.611799 16.804726 6.581367 1 827 1 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 0 -1.0814753 16.40332 4.2946696 1 828 1 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 0 -1.8757284 18.132088 6.2880774 1 829 1 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 0 -1.3404546 17.7297 3.9990609 1 830 1 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 0 -1.7344704 18.59475 4.994718 1 831 1 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 0 -1.9964175 19.904453 4.7058144 1 832 1 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 0 -2.7306814 11.316453 6.27149 1 833 1 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 0 -2.45813 9.99762 6.822244 1 834 1 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 0 -3.617321 9.057711 6.5041165 1 835 1 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 0 -4.7793293 9.420676 6.70716 1 836 1 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 0 -2.2590623 10.119467 8.33951 1 837 1 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 0 -1.6771072 8.9311075 9.024931 1 838 1 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 0 -1.4655142 9.256411 10.498367 1 839 1 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 0 -0.5811907 10.396952 10.68626 1 840 1 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 0 -0.40289667 11.002688 11.848771 1 841 1 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 0 0.41880658 12.050123 11.919929 1 842 1 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 0 -1.0274954 10.572336 12.922474 1 843 1 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 0 -3.3139756 7.8618093 6.0299635 1 844 1 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 0 -4.3612237 6.9054794 5.7162504 1 845 1 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 0 -3.8267207 5.5046597 5.50003 1 846 1 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 0 -2.6246057 5.301823 5.300267 1 847 1 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 0 -4.733156 4.51573 5.5279512 1 848 1 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 0 -4.3800106 3.1109085 5.3779798 1 849 1 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 0 -5.6285686 2.3226871 5.007807 1 850 1 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 0 -6.7435465 2.8402343 5.0808916 1 851 1 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 0 -3.755825 2.5582762 6.6700945 1 852 1 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 0 -4.6084533 2.800805 7.8960958 1 853 1 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 0 -4.4451103 3.953238 8.644051 1 854 1 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 0 -5.57573 1.8915821 8.276789 1 855 1 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 0 -5.2330923 4.197565 9.767813 1 856 1 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 0 -6.36305 2.1230114 9.390809 1 857 1 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 0 -6.18955 3.2769146 10.139226 1 858 1 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 0 -5.4499035 1.0435464 4.615815 1 859 1 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 0 -6.5602083 0.16267577 4.2752304 1 860 1 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 0 -6.7731647 -0.840634 5.405295 1 861 1 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 0 -5.8957796 -1.6615254 5.6760154 1 862 1 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 0 -6.268904 -0.5895381 2.974954 1 863 1 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 0 -6.1448746 0.29456675 1.7616308 1 864 1 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 0 -4.936437 0.41675937 1.0866706 1 865 1 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 0 -7.2460313 0.9904736 1.2852129 1 866 1 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 0 -4.8335485 1.2195189 -0.038967688 1 867 1 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 0 -7.1474533 1.799639 0.16109464 1 868 1 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 0 -5.9377537 1.9082868 -0.5022546 1 869 1 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 0 -7.9295244 -0.7813706 6.080611 1 870 1 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 0 -8.128775 -1.6744311 7.2206345 1 871 1 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 0 -8.872753 -2.9581208 6.8771896 1 872 1 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 0 -8.685438 -3.9680164 7.5647054 1 873 1 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 0 -8.8002405 -0.95343953 8.39867 1 874 1 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 0 -10.217913 -0.4509074 8.126406 1 875 1 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 0 -10.648694 -0.44317985 6.9595337 1 876 1 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 0 -10.896389 -0.06701953 9.110244 1 877 1 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 0 -9.708683 -2.972075 5.842403 1 878 1 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 0 -10.404249 -4.18344 5.425192 1 879 1 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 0 -10.267757 -4.3589125 3.9216127 1 880 1 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 0 -10.374118 -3.3902764 3.1654606 1 881 1 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 0 -11.8859825 -4.1419325 5.822751 1 882 1 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 0 -12.122421 -4.3412657 7.2928905 1 883 1 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 0 -12.230411 -3.2491627 8.145763 1 884 1 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 0 -12.216253 -5.615041 7.822056 1 885 1 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 0 -12.430797 -3.4293497 9.505201 1 886 1 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 0 -12.415979 -5.8012753 9.185926 1 887 1 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 0 -12.52627 -4.705378 10.025639 1 888 1 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 0 -10.026939 -5.5969296 3.496678 1 889 1 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 0 -9.802687 -5.9292774 2.0946412 1 890 1 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 0 -10.827631 -6.947588 1.611173 1 891 1 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 0 -11.263643 -7.817749 2.3701115 1 892 1 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 0 -8.400084 -6.519094 1.8992301 1 893 1 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 0 -7.271777 -5.5895014 2.1841028 1 894 1 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 0 -6.9327583 -5.0557365 3.4004421 1 895 1 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 0 -6.310254 -5.098844 1.2449775 1 896 1 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 0 -5.8167934 -4.25935 3.2656412 1 897 1 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 0 -5.4268427 -4.265673 1.9567658 1 898 1 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 0 -6.1220436 -5.27738 -0.13301247 1 899 1 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 0 -4.345004 -3.6209161 1.334657 1 900 1 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 0 -5.060754 -4.638811 -0.7440073 1 901 1 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 0 -4.193103 -3.816758 -0.015605124 1 902 1 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 0 -11.18202 -6.845936 0.32426327 1 903 1 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 0 -11.973141 -7.890168 -0.3132537 1 904 1 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 0 -11.122567 -9.119757 -0.5538413 1 905 1 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 0 -9.899052 -9.098282 -0.38931996 1 906 1 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 0 -11.756853 -10.213101 -0.9736482 1 907 1 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 0 -11.049568 -11.469612 -1.1651399 1 908 1 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 0 -10.24741 -11.506442 -2.4572291 1 909 1 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 0 -9.4370575 -12.415821 -2.6580415 1 910 1 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 0 -12.031245 -12.654211 -1.1244551 1 911 1 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 0 -12.783178 -12.933977 -2.4368052 1 912 1 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 0 -14.003084 -12.065218 -2.6525517 1 913 1 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 0 -14.188186 -11.023445 -1.9809304 1 914 1 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 0 -14.862242 -12.480791 -3.5964875 1 915 1 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 0 -10.461359 -10.539414 -3.3336067 1 916 1 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 0 -9.75133 -10.473492 -4.598279 1 917 1 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 0 -10.545569 -11.041618 -5.7613716 1 918 1 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 0 -11.374649 -11.935384 -5.587424 1 919 1 +ATOM N N . THR A0 1 116 . 116 THR A0 N 0 -10.296476 -10.495216 -6.9567585 1 920 1 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 0 -10.89338 -10.995607 -8.188245 1 921 1 +ATOM C C . THR A0 1 116 . 116 THR A0 C 0 -9.76644 -11.251319 -9.184708 1 922 1 +ATOM O O . THR A0 1 116 . 116 THR A0 O 0 -9.01462 -10.332296 -9.524359 1 923 1 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 0 -11.889648 -9.986071 -8.792177 1 924 1 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 0 -12.972313 -9.768004 -7.885339 1 925 1 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 0 -12.432709 -10.493513 -10.121334 1 926 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 -9.645026 -12.499985 -9.646271 1 927 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 -8.628501 -12.845989 -10.630877 1 928 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 -9.158259 -12.548604 -12.031198 1 929 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 -10.216031 -13.048081 -12.422164 1 930 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 -8.235092 -14.320946 -10.518246 1 931 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 -7.17235 -14.800232 -11.503055 1 932 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 -6.98605 -16.302952 -11.402863 1 933 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 -5.8510957 -14.061621 -11.294216 1 934 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 -8.421244 -11.72871 -12.770822 1 935 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 -8.7683525 -11.403981 -14.148651 1 936 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 -7.7040243 -12.004059 -15.057001 1 937 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 -6.5153484 -11.701654 -14.912258 1 938 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 -8.865637 -9.879713 -14.373491 1 939 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 -9.110628 -9.571152 -15.847899 1 940 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 -9.976528 -9.287567 -13.499121 1 941 1 +ATOM N N . THR A0 1 119 . 119 THR A0 N 0 -8.122893 -12.873163 -15.975351 1 942 1 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 0 -7.2258368 -13.488822 -16.944359 1 943 1 +ATOM C C . THR A0 1 119 . 119 THR A0 C 0 -7.596629 -12.980923 -18.33358 1 944 1 +ATOM O O . THR A0 1 119 . 119 THR A0 O 0 -8.750621 -13.106731 -18.753078 1 945 1 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 0 -7.315358 -15.019806 -16.896072 1 946 1 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 0 -6.9843235 -15.475807 -15.576572 1 947 1 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 0 -6.3704357 -15.65648 -17.905678 1 948 1 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 0 -6.628055 -12.398636 -19.02945 1 949 1 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 0 -6.861045 -11.866177 -20.367378 1 950 1 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 0 -5.948683 -12.605343 -21.338245 1 951 1 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 0 -4.7258782 -12.541056 -21.223284 1 952 1 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 0 -6.60097 -10.34626 -20.440262 1 953 1 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 0 -6.9907875 -9.811151 -21.811779 1 954 1 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 0 -7.365576 -9.616964 -19.334457 1 955 1 +ATOM N N . SER A0 1 121 . 121 SER A0 N 0 -6.544422 -13.298607 -22.283758 1 956 1 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 0 -5.7822747 -14.09009 -23.239517 1 957 1 +ATOM C C . SER A0 1 121 . 121 SER A0 C 0 -6.611657 -14.316778 -24.50084 1 958 1 +ATOM O O . SER A0 1 121 . 121 SER A0 O 0 -7.84111 -14.40291 -24.4314 1 959 1 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 0 -5.3795724 -15.436569 -22.632717 1 960 1 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 0 -4.7676597 -16.274506 -23.59398 1 961 1 +ATOM N N . SER A0 1 122 . 122 SER A0 N 0 -5.910648 -14.428549 -25.641983 1 962 1 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 0 -6.5864506 -14.752312 -26.900845 1 963 1 +ATOM C C . SER A0 1 122 . 122 SER A0 C 0 -6.8601255 -16.24527 -27.036518 1 964 1 +ATOM O O . SER A0 1 122 . 122 SER A0 O 0 -7.538453 -16.666271 -27.979097 1 965 1 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 0 -5.748694 -14.272672 -28.093836 1 966 1 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 0 -4.475812 -14.898913 -28.114214 1 967 1 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 0 -6.3208237 -17.047527 -26.09826 1 968 1 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 0 -6.5015087 -18.490477 -26.153467 1 969 1 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 0 -7.9591866 -18.87234 -25.914438 1 970 1 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 0 -8.678366 -18.1964 -25.192215 1 971 1 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 0 -5.607487 -19.181398 -25.130152 1 972 1 +ATOM N N . SER A0 1 124 . 124 SER A0 N 0 -8.353981 -19.973864 -26.553846 1 973 1 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 0 -9.688164 -20.52494 -26.349918 1 974 1 +ATOM C C . SER A0 1 124 . 124 SER A0 C 0 -9.622715 -21.642883 -25.320011 1 975 1 +ATOM O O . SER A0 1 124 . 124 SER A0 O 0 -8.5762825 -22.270514 -25.128906 1 976 1 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 0 -10.26066 -21.061926 -27.663044 1 977 1 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 0 -10.366328 -20.038294 -28.641716 1 978 1 +ATOM N N . THR A0 1 125 . 125 THR A0 N 0 -10.748278 -21.880161 -24.673756 1 979 1 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 0 -10.802097 -22.95512 -23.68683 1 980 1 +ATOM C C . THR A0 1 125 . 125 THR A0 C 0 -10.379629 -24.2706 -24.33287 1 981 1 +ATOM O O . THR A0 1 125 . 125 THR A0 O 0 -10.891138 -24.644764 -25.39075 1 982 1 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 0 -12.217884 -23.085232 -23.098576 1 983 1 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 0 -12.573733 -21.863535 -22.441788 1 984 1 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 0 -12.298149 -24.23609 -22.106468 1 985 1 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 0 -9.447946 -24.951405 -23.683699 1 986 1 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 0 -8.905715 -26.195038 -24.223873 1 987 1 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 0 -8.554016 -27.135529 -23.081207 1 988 1 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 0 -7.9061565 -26.728643 -22.109196 1 989 1 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 0 -7.6620073 -25.918337 -25.077288 1 990 1 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 0 -7.0313673 -27.176199 -25.674519 1 991 1 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 0 -5.780389 -26.838058 -26.472569 1 992 1 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 0 -5.152129 -28.070389 -27.116959 1 993 1 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 0 -4.7426014 -29.068127 -26.084034 1 994 1 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 0 -8.969605 -28.376585 -23.20285 1 995 1 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 0 -8.617323 -29.384909 -22.21449 1 996 1 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 0 -7.1887493 -29.860271 -22.38686 1 997 1 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 0 -6.624842 -29.77414 -23.48079 1 998 1 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 0 -6.5821414 -30.381584 -21.312439 1 999 1 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 0 -5.1749706 -30.774067 -21.386652 1 1000 1 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 0 -4.9654226 -32.13479 -22.02849 1 1001 1 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 0 -5.856776 -32.984787 -22.031433 1 1002 1 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 0 -4.74607 -30.825861 -19.914082 1 1003 1 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 0 -5.994138 -31.23922 -19.205545 1 1004 1 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 0 -7.122853 -30.531454 -19.93776 1 1005 1 +ATOM N N . SER A0 1 129 . 129 SER A0 N 0 -3.7591853 -32.31631 -22.575571 1 1006 1 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 0 -3.256673 -33.645126 -22.909996 1 1007 1 +ATOM C C . SER A0 1 129 . 129 SER A0 C 0 -2.447658 -34.108566 -21.708748 1 1008 1 +ATOM O O . SER A0 1 129 . 129 SER A0 O 0 -1.7026772 -33.310112 -21.118423 1 1009 1 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 0 -2.3807006 -33.60206 -24.161879 1 1010 1 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 0 -3.0990956 -33.114742 -25.285128 1 1011 1 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 0 -2.591895 -35.35681 -21.333628 1 1012 1 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 0 -1.9068978 -35.884968 -20.160532 1 1013 1 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 0 -0.9277873 -36.968307 -20.604778 1 1014 1 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 0 -1.3305085 -37.977654 -21.199055 1 1015 1 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 0 -2.9009533 -36.439632 -19.123167 1 1016 1 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 0 -2.1625016 -36.925137 -17.88058 1 1017 1 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 0 -3.9280815 -35.368774 -18.746603 1 1018 1 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 0 0.3522119 -36.753075 -20.323204 1 1019 1 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 0 1.4073278 -37.672935 -20.724594 1 1020 1 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 0 2.1131015 -38.23819 -19.497267 1 1021 1 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 0 2.2742803 -37.525627 -18.492422 1 1022 1 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 0 2.4312901 -36.974823 -21.622402 1 1023 1 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 0 1.8352857 -36.35298 -22.852789 1 1024 1 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 0 1.8767018 -34.983887 -23.038906 1 1025 1 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 0 1.2546861 -37.14988 -23.818047 1 1026 1 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 0 1.3299983 -34.41159 -24.17557 1 1027 1 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 0 0.70355165 -36.58908 -24.95449 1 1028 1 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 0 0.7418034 -35.217587 -25.130299 1 1029 1 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 0 2.5490537 -39.491226 -19.564568 1 1030 1 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 0 3.226563 -40.07853 -18.405058 1 1031 1 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 0 4.6777773 -39.630775 -18.302662 1 1032 1 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 0 5.355713 -39.434906 -19.317696 1 1033 1 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 0 3.1368532 -41.58771 -18.672054 1 1034 1 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 0 3.1534302 -41.683792 -20.16006 1 1035 1 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 0 2.373609 -40.48169 -20.647703 1 1036 1 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 0 5.125534 -39.439323 -17.087715 1 1037 1 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 0 6.537496 -39.297466 -16.756628 1 1038 1 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 0 6.936638 -40.633312 -16.156048 1 1039 1 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 0 6.7935643 -40.867207 -14.959401 1 1040 1 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 0 6.7604146 -38.142365 -15.774664 1 1041 1 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 0 6.3468313 -36.76228 -16.28778 1 1042 1 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 0 6.3488393 -35.74402 -15.158167 1 1043 1 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 0 7.257228 -36.30951 -17.416363 1 1044 1 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 0 7.395625 -41.542164 -17.02937 1 1045 1 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 0 7.5813856 -42.94126 -16.656574 1 1046 1 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 0 8.819237 -43.144382 -15.781709 1 1047 1 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 0 9.878975 -42.5785 -16.05375 1 1048 1 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 0 7.6782312 -43.811398 -17.905909 1 1049 1 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 0 8.684179 -43.97487 -14.748267 1 1050 1 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 0 9.848648 -44.285854 -13.915653 1 1051 1 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 0 10.826905 -45.18206 -14.666898 1 1052 1 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 0 10.432552 -46.01728 -15.476828 1 1053 1 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 0 9.231228 -45.012085 -12.712076 1 1054 1 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 0 7.997696 -45.637085 -13.26532 1 1055 1 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 0 7.479317 -44.675476 -14.297842 1 1056 1 +ATOM N N . SER A0 1 136 . 136 SER A0 N 0 12.107028 -44.99385 -14.397718 1 1057 1 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 0 13.155639 -45.7919 -15.024305 1 1058 1 +ATOM C C . SER A0 1 136 . 136 SER A0 C 0 14.401768 -45.713165 -14.159442 1 1059 1 +ATOM O O . SER A0 1 136 . 136 SER A0 O 0 14.382603 -45.121185 -13.0726185 1 1060 1 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 0 13.4556675 -45.283882 -16.432457 1 1061 1 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 0 14.113916 -44.02426 -16.376059 1 1062 1 +ATOM N N . SER A0 1 137 . 137 SER A0 N 0 15.47197 -46.26603 -14.656246 1 1063 1 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 0 16.73167 -46.187195 -13.928588 1 1064 1 +ATOM C C . SER A0 1 137 . 137 SER A0 C 0 17.225094 -44.749012 -13.833361 1 1065 1 +ATOM O O . SER A0 1 137 . 137 SER A0 O 0 18.049372 -44.439198 -12.966505 1 1066 1 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 0 17.790562 -47.06019 -14.607799 1 1067 1 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 0 18.082668 -46.610657 -15.917765 1 1068 1 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 0 16.721199 -43.879284 -14.720516 1 1069 1 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 0 17.099293 -42.46579 -14.708786 1 1070 1 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 0 16.272718 -41.653404 -13.715588 1 1071 1 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 0 16.576124 -40.47869 -13.490521 1 1072 1 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 0 16.94073 -41.872 -16.114174 1 1073 1 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 0 17.73964 -42.606613 -17.19106 1 1074 1 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 0 19.243515 -42.520298 -16.928738 1 1075 1 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 0 20.047503 -43.202377 -18.031677 1 1076 1 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 0 21.49939 -43.14046 -17.77515 1 1077 1 +ATOM N N . SER A0 1 139 . 139 SER A0 N 0 15.20591 -42.236008 -13.146627 1 1078 1 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 0 14.382933 -41.569878 -12.146543 1 1079 1 +ATOM C C . SER A0 1 139 . 139 SER A0 C 0 14.308577 -42.396828 -10.879563 1 1080 1 +ATOM O O . SER A0 1 139 . 139 SER A0 O 0 13.293055 -42.42269 -10.203754 1 1081 1 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 0 12.979572 -41.307594 -12.696636 1 1082 1 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 0 12.31269 -42.523636 -12.988066 1 1083 1 +ATOM N N . THR A0 1 140 . 140 THR A0 N 0 15.4104595 -43.09011 -10.573321 1 1084 1 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 0 15.498713 -43.93315 -9.386848 1 1085 1 +ATOM C C . THR A0 1 140 . 140 THR A0 C 0 16.761818 -43.56962 -8.614317 1 1086 1 +ATOM O O . THR A0 1 140 . 140 THR A0 O 0 17.822098 -43.390602 -9.204597 1 1087 1 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 0 15.529835 -45.418983 -9.760561 1 1088 1 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 0 14.346092 -45.75329 -10.479373 1 1089 1 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 0 15.635477 -46.291203 -8.519918 1 1090 1 +ATOM N N . SER A0 1 141 . 141 SER A0 N 0 16.618704 -43.44615 -7.310002 1 1091 1 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 0 17.747103 -43.157936 -6.423914 1 1092 1 +ATOM C C . SER A0 1 141 . 141 SER A0 C 0 17.62333 -44.05278 -5.2017746 1 1093 1 +ATOM O O . SER A0 1 141 . 141 SER A0 O 0 16.690887 -43.91133 -4.4125466 1 1094 1 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 0 17.76011 -41.697136 -6.0181694 1 1095 1 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 0 18.827492 -41.430336 -5.113151 1 1096 1 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 0 18.570683 -44.970566 -5.0611553 1 1097 1 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 0 18.48621 -45.926888 -3.9659157 1 1098 1 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 0 17.245619 -46.783752 -4.107174 1 1099 1 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 0 17.018312 -47.39738 -5.1402893 1 1100 1 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 0 16.41767 -46.806046 -3.0721955 1 1101 1 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 0 15.189913 -47.58869 -3.1181524 1 1102 1 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 0 13.9606285 -46.7678 -3.4454496 1 1103 1 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 0 12.837326 -47.225174 -3.2376533 1 1104 1 +ATOM N N . THR A0 1 144 . 144 THR A0 N 0 14.1585455 -45.543144 -3.9893277 1 1105 1 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 0 13.050474 -44.64924 -4.30844 1 1106 1 +ATOM C C . THR A0 1 144 . 144 THR A0 C 0 13.01841 -44.35723 -5.801879 1 1107 1 +ATOM O O . THR A0 1 144 . 144 THR A0 O 0 14.05121 -44.095436 -6.4168034 1 1108 1 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 0 13.167951 -43.334724 -3.521549 1 1109 1 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 0 13.109901 -43.60838 -2.1243677 1 1110 1 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 0 12.035333 -42.376003 -3.8870277 1 1111 1 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 0 11.825802 -44.38649 -6.369886 1 1112 1 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 0 11.630686 -44.04863 -7.7748146 1 1113 1 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 0 10.6837845 -42.859245 -7.874777 1 1114 1 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 0 9.76313 -42.717915 -7.070494 1 1115 1 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 0 11.0587 -45.23822 -8.547337 1 1116 1 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 0 10.923958 -41.99267 -8.861986 1 1117 1 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 0 10.038599 -40.870934 -9.125834 1 1118 1 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 0 9.269591 -41.124424 -10.41757 1 1119 1 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 0 9.816031 -41.642387 -11.385706 1 1120 1 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 0 10.827686 -39.5711 -9.221346 1 1121 1 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 0 8.008792 -40.760017 -10.424949 1 1122 1 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 0 7.1767125 -40.85502 -11.608433 1 1123 1 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 0 6.1660247 -39.710632 -11.570753 1 1124 1 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 0 6.003605 -39.046165 -10.544289 1 1125 1 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 0 6.449832 -42.211403 -11.678121 1 1126 1 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 0 5.5401735 -42.58741 -10.50798 1 1127 1 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 0 4.089708 -42.256927 -10.823858 1 1128 1 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 0 5.69029 -44.055626 -10.145969 1 1129 1 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 0 5.487976 -39.47307 -12.685221 1 1130 1 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 0 4.532763 -38.381683 -12.685234 1 1131 1 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 0 3.6988597 -38.309433 -13.945983 1 1132 1 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 0 3.6736588 -39.23802 -14.761848 1 1133 1 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 0 2.9897954 -37.20221 -14.061022 1 1134 1 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 0 2.1648839 -36.913956 -15.224216 1 1135 1 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 0 2.4224584 -35.485817 -15.68108 1 1136 1 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 0 2.505273 -34.57017 -14.852435 1 1137 1 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 0 0.6741899 -37.088898 -14.902201 1 1138 1 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 0 0.13721219 -38.7798 -14.793826 1 1139 1 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 0 2.554765 -35.304058 -16.99083 1 1140 1 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 0 2.6934738 -33.98922 -17.60067 1 1141 1 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 0 1.3252159 -33.577606 -18.134596 1 1142 1 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 0 0.76796806 -34.257637 -19.003002 1 1143 1 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 0 3.7272897 -34.02901 -18.729553 1 1144 1 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 0 3.9003663 -32.756096 -19.557976 1 1145 1 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 0 4.8644896 -33.024994 -20.717552 1 1146 1 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 0 4.398224 -31.606037 -18.694729 1 1147 1 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 0 0.78063667 -32.49279 -17.592861 1 1148 1 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 0 -0.5404172 -31.99928 -17.960447 1 1149 1 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 0 -0.32585526 -30.76798 -18.834259 1 1150 1 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 0 -0.036814563 -29.672527 -18.334352 1 1151 1 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 0 -1.3716276 -31.665722 -16.70631 1 1152 1 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 0 -2.787674 -31.265892 -17.095661 1 1153 1 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 0 -1.396941 -32.865223 -15.752344 1 1154 1 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 0 -0.42527604 -30.955412 -20.150496 1 1155 1 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 0 0.0628959 -29.961815 -21.090061 1 1156 1 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 0 -1.0314369 -29.3469 -21.964378 1 1157 1 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 0 -2.0019372 -30.016975 -22.332733 1 1158 1 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 0 1.1415567 -30.580254 -21.983738 1 1159 1 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 0 1.979287 -29.55922 -22.736322 1 1160 1 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 0 3.1302989 -30.229908 -23.464504 1 1161 1 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 0 4.080843 -29.213766 -24.088333 1 1162 1 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 0 3.4306228 -28.326143 -25.05469 1 1163 1 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 0 -0.8459492 -28.081646 -22.264374 1 1164 1 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 0 -1.605125 -27.333225 -23.265287 1 1165 1 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 0 -3.0890708 -27.217087 -22.919926 1 1166 1 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 0 -3.9617114 -27.686293 -23.652073 1 1167 1 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 0 -1.4223535 -27.950403 -24.654278 1 1168 1 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 0 -0.0023432814 -27.840197 -25.158504 1 1169 1 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 0 0.7389052 -26.947575 -24.693123 1 1170 1 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 0 0.37969807 -28.63116 -26.041567 1 1171 1 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 0 -3.3770208 -26.543495 -21.806456 1 1172 1 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 0 -4.760031 -26.285671 -21.425499 1 1173 1 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 0 -4.974614 -24.80297 -21.160532 1 1174 1 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 0 -4.019515 -24.03503 -20.975313 1 1175 1 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 0 -5.1637716 -27.117188 -20.198418 1 1176 1 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 0 -4.418056 -26.755594 -18.929646 1 1177 1 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 0 -3.2278395 -27.39553 -18.591648 1 1178 1 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 0 -4.9166994 -25.800259 -18.056122 1 1179 1 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 0 -2.5534673 -27.083973 -17.421715 1 1180 1 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 0 -4.2512608 -25.48259 -16.888088 1 1181 1 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 0 -3.0709758 -26.132278 -16.573574 1 1182 1 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 0 -2.4096112 -25.819366 -15.422203 1 1183 1 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 0 -6.2363405 -24.411789 -21.177814 1 1184 1 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 0 -6.622142 -23.029636 -20.892986 1 1185 1 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 0 -8.10141 -22.993017 -20.535309 1 1186 1 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 0 -8.8966465 -23.682474 -21.170803 1 1187 1 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 0 -6.3482666 -22.110756 -22.088024 1 1188 1 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 0 -6.670899 -20.668259 -21.798334 1 1189 1 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 0 -7.9257054 -20.154064 -22.08643 1 1190 1 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 0 -5.7198753 -19.842693 -21.216324 1 1191 1 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 0 -8.2310295 -18.83643 -21.797747 1 1192 1 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 0 -6.023176 -18.527645 -20.928709 1 1193 1 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 0 -7.27535 -18.018646 -21.219765 1 1194 1 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 0 -8.482399 -22.17898 -19.550398 1 1195 1 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 0 -7.6311226 -21.424978 -18.614729 1 1196 1 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 0 -7.2972093 -22.25752 -17.384283 1 1197 1 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 0 -7.6086392 -23.462597 -17.340351 1 1198 1 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 0 -8.554437 -20.257889 -18.231808 1 1199 1 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 0 -9.907105 -20.893166 -18.190256 1 1200 1 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 0 -9.917437 -21.924305 -19.290855 1 1201 1 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 0 -6.647869 -21.646961 -16.431358 1 1202 1 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 0 -6.4922814 -22.266739 -15.114397 1 1203 1 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 0 -7.862256 -22.408173 -14.478544 1 1204 1 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 0 -8.787631 -21.6583 -14.799315 1 1205 1 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 0 -5.5852547 -21.388744 -14.23976 1 1206 1 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 0 -4.1130657 -21.436659 -14.6086 1 1207 1 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 0 -3.377496 -22.502287 -13.821313 1 1208 1 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 0 -3.6924925 -23.700638 -13.984936 1 1209 1 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 0 -2.4858167 -22.134327 -13.026934 1 1210 1 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 0 -8.049419 -23.348799 -13.565035 1 1211 1 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 0 -7.0647154 -24.292692 -13.020206 1 1212 1 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 0 -7.299105 -25.721003 -13.482893 1 1213 1 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 0 -8.311471 -26.022526 -14.114476 1 1214 1 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 0 -7.336993 -24.216148 -11.50583 1 1215 1 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 0 -8.835819 -24.096912 -11.444033 1 1216 1 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 0 -9.251503 -23.296593 -12.668938 1 1217 1 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 0 -6.3265586 -26.577616 -13.191007 1 1218 1 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 0 -6.513726 -28.02017 -13.24441 1 1219 1 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 0 -6.245224 -28.571758 -11.857236 1 1220 1 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 0 -5.501592 -27.977108 -11.068878 1 1221 1 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 0 -5.5807505 -28.71907 -14.257971 1 1222 1 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 0 -5.8913984 -28.291378 -15.677249 1 1223 1 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 0 -4.127292 -28.483929 -13.905529 1 1224 1 +ATOM N N . THR A0 1 160 . 160 THR A0 N 0 -6.867471 -29.700583 -11.550472 1 1225 1 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 0 -6.5782943 -30.402884 -10.311849 1 1226 1 +ATOM C C . THR A0 1 160 . 160 THR A0 C 0 -6.026247 -31.780214 -10.655116 1 1227 1 +ATOM O O . THR A0 1 160 . 160 THR A0 O 0 -6.439207 -32.39414 -11.646944 1 1228 1 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 0 -7.8257093 -30.557472 -9.425339 1 1229 1 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 0 -8.83349 -31.28472 -10.12863 1 1230 1 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 0 -8.3717785 -29.192707 -9.029978 1 1231 1 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 0 -5.0666084 -32.242786 -9.859468 1 1232 1 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 0 -4.4578686 -33.549683 -10.066437 1 1233 1 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 0 -4.4604874 -34.31064 -8.75107 1 1234 1 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 0 -4.0499635 -33.775864 -7.717037 1 1235 1 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 0 -3.008832 -33.441177 -10.591504 1 1236 1 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 0 -2.4371843 -34.828995 -10.85972 1 1237 1 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 0 -2.9506955 -32.58918 -11.859983 1 1238 1 +ATOM N N . SER A0 1 162 . 162 SER A0 N 0 -4.9243345 -35.54148 -8.793216 1 1239 1 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 0 -4.8112993 -36.451576 -7.66351 1 1240 1 +ATOM C C . SER A0 1 162 . 162 SER A0 C 0 -4.151818 -37.73051 -8.145475 1 1241 1 +ATOM O O . SER A0 1 162 . 162 SER A0 O 0 -4.017544 -37.955406 -9.352886 1 1242 1 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 0 -6.1832094 -36.74669 -7.0416527 1 1243 1 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 0 -7.0192614 -37.42695 -7.957769 1 1244 1 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 0 -3.7509804 -38.564888 -7.2007117 1 1245 1 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 0 -3.1311157 -39.836834 -7.5301027 1 1246 1 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 0 -3.9146514 -40.977386 -6.890665 1 1247 1 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 0 -4.2503147 -40.924614 -5.704438 1 1248 1 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 0 -1.6574457 -39.85627 -7.0907946 1 1249 1 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 0 -0.7799963 -39.05285 -7.995588 1 1250 1 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 0 -0.49859816 -37.72826 -7.8911295 1 1251 1 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 0 -0.10432291 -39.512707 -9.157595 1 1252 1 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 0 0.32131118 -37.33149 -8.923849 1 1253 1 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 0 0.5736946 -38.410652 -9.7104435 1 1254 1 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 0 -0.007228722 -40.760605 -9.80058 1 1255 1 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 0 1.3463022 -38.51896 -10.866219 1 1256 1 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 0 0.76209784 -40.867226 -10.942314 1 1257 1 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 0 1.4264464 -39.759262 -11.473925 1 1258 1 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 0 -4.181696 -41.987694 -7.699958 1 1259 1 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 0 -4.9558287 -43.146435 -7.2543573 1 1260 1 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 0 -6.24116 -42.71528 -6.546803 1 1261 1 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 0 -6.5701103 -43.19751 -5.4646473 1 1262 1 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 0 -4.108289 -44.052544 -6.3569465 1 1263 1 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 0 -2.9783096 -44.719612 -7.1302214 1 1264 1 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 0 -2.8965235 -44.598927 -8.354583 1 1265 1 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 0 -2.0883136 -45.40722 -6.430244 1 1266 1 +ATOM N N . SER A0 1 165 . 165 SER A0 N 0 -6.944518 -41.757996 -7.1994953 1 1267 1 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 0 -8.225525 -41.24557 -6.7121205 1 1268 1 +ATOM C C . SER A0 1 165 . 165 SER A0 C 0 -8.128735 -40.70079 -5.295215 1 1269 1 +ATOM O O . SER A0 1 165 . 165 SER A0 O 0 -9.084558 -40.788895 -4.519561 1 1270 1 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 0 -9.308245 -42.31637 -6.807353 1 1271 1 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 0 -9.462732 -42.769196 -8.14747 1 1272 1 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 0 -6.9721823 -40.124004 -4.961952 1 1273 1 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 0 -6.7794166 -39.51078 -3.6643176 1 1274 1 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 0 -6.16395 -40.41297 -2.6217556 1 1275 1 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 0 -5.8426504 -39.948586 -1.5299311 1 1276 1 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 0 -5.9811215 -41.66834 -2.9385767 1 1277 1 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 0 -5.411314 -42.61063 -1.9723917 1 1278 1 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 0 -3.9140096 -42.39675 -1.7785511 1 1279 1 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 0 -3.3641515 -42.788815 -0.74850833 1 1280 1 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 0 -5.6813498 -44.045723 -2.4154315 1 1281 1 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 0 -3.2586088 -41.796364 -2.7810843 1 1282 1 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 0 -1.8259711 -41.54704 -2.7049778 1 1283 1 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 0 -1.5806136 -40.047813 -2.5797963 1 1284 1 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 0 -1.8712473 -39.289825 -3.5109444 1 1285 1 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 0 -1.1199604 -42.094833 -3.9545922 1 1286 1 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 0 0.3853687 -41.86422 -4.0617113 1 1287 1 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 0 0.918527 -42.47944 -5.352508 1 1288 1 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 0 1.123562 -42.39624 -2.8499308 1 1289 1 +ATOM N N . THR A0 1 169 . 169 THR A0 N 0 -1.090038 -39.614147 -1.4327747 1 1290 1 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 0 -0.8115521 -38.21077 -1.1883864 1 1291 1 +ATOM C C . THR A0 1 169 . 169 THR A0 C 0 0.6177556 -37.977345 -0.71947145 1 1292 1 +ATOM O O . THR A0 1 169 . 169 THR A0 O 0 1.1774497 -36.913406 -0.9942907 1 1293 1 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 0 -1.7867364 -37.62168 -0.1542511 1 1294 1 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 0 -1.6976022 -38.359398 1.0660625 1 1295 1 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 0 -3.2230198 -37.672745 -0.670673 1 1296 1 +ATOM N N . SER A0 1 170 . 170 SER A0 N 0 1.1978161 -38.925327 -0.021811448 1 1297 1 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 0 2.5525894 -38.76995 0.48916227 1 1298 1 +ATOM C C . SER A0 1 170 . 170 SER A0 C 0 3.5535986 -38.754017 -0.66133165 1 1299 1 +ATOM O O . SER A0 1 170 . 170 SER A0 O 0 3.492055 -39.592537 -1.5628808 1 1300 1 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 0 2.895207 -39.895805 1.4541959 1 1301 1 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 0 2.0878446 -39.84336 2.6081834 1 1302 1 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 0 4.455224 -37.775375 -0.63632864 1 1303 1 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 0 5.480724 -37.670082 -1.652077 1 1304 1 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 0 5.030949 -37.025642 -2.942668 1 1305 1 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 0 5.808096 -36.97107 -3.8964882 1 1306 1 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 0 3.7900681 -36.531235 -2.9907928 1 1307 1 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 0 3.265518 -35.90905 -4.1985373 1 1308 1 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 0 3.6534905 -34.433243 -4.252837 1 1309 1 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 0 3.5480077 -33.71531 -3.2490587 1 1310 1 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 0 1.7306027 -36.045208 -4.2720194 1 1311 1 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 0 1.1695707 -35.23255 -5.436821 1 1312 1 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 0 1.3359743 -37.50907 -4.4038773 1 1313 1 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 0 4.095004 -33.978424 -5.414358 1 1314 1 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 0 4.3151493 -32.564445 -5.6846266 1 1315 1 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 0 3.6206484 -32.201977 -6.987517 1 1316 1 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 0 4.016912 -32.69193 -8.054692 1 1317 1 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 0 5.811678 -32.23114 -5.7946234 1 1318 1 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 0 6.5722055 -32.402485 -4.5209227 1 1319 1 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 0 6.2631264 -31.700294 -3.3732557 1 1320 1 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 0 7.634735 -33.173702 -4.222584 1 1321 1 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 0 7.1007004 -32.049656 -2.420263 1 1322 1 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 0 7.9466043 -32.94353 -2.901998 1 1323 1 +ATOM N N . THR A0 1 174 . 174 THR A0 N 0 2.5966828 -31.374004 -6.896922 1 1324 1 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 0 1.948549 -30.845936 -8.090147 1 1325 1 +ATOM C C . THR A0 1 174 . 174 THR A0 C 0 2.4020486 -29.39656 -8.252761 1 1326 1 +ATOM O O . THR A0 1 174 . 174 THR A0 O 0 2.1158676 -28.549223 -7.4098554 1 1327 1 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 0 0.416931 -30.946644 -7.9849024 1 1328 1 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 0 0.04868388 -32.333298 -7.8899755 1 1329 1 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 0 -0.25031388 -30.341724 -9.214439 1 1330 1 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 0 3.1259754 -29.135836 -9.322037 1 1331 1 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 0 3.7698822 -27.841793 -9.508644 1 1332 1 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 0 2.792367 -26.775597 -9.999247 1 1333 1 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 0 1.8076094 -27.08905 -10.671282 1 1334 1 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 0 4.925748 -27.961792 -10.499113 1 1335 1 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 0 6.079458 -28.750362 -9.963706 1 1336 1 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 0 6.164836 -30.12023 -10.173609 1 1337 1 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 0 7.0756483 -28.115908 -9.241469 1 1338 1 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 0 7.2219996 -30.847012 -9.657682 1 1339 1 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 0 8.137045 -28.83667 -8.723697 1 1340 1 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 0 8.208181 -30.21052 -8.932792 1 1341 1 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 0 3.0692058 -25.506044 -9.642908 1 1342 1 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 0 2.2756853 -24.419415 -10.221323 1 1343 1 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 0 2.3839412 -24.441647 -11.744806 1 1344 1 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 0 3.4427292 -24.760426 -12.301405 1 1345 1 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 0 2.9180486 -23.156666 -9.634766 1 1346 1 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 0 3.5950394 -23.624302 -8.377085 1 1347 1 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 0 4.0672717 -25.011452 -8.690315 1 1348 1 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 0 1.2867624 -24.119179 -12.403297 1 1349 1 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 0 1.2837058 -24.10883 -13.85906 1 1350 1 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 0 2.1763473 -22.990637 -14.390575 1 1351 1 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 0 2.364025 -21.9622 -13.739298 1 1352 1 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 0 -0.14062874 -23.931032 -14.383169 1 1353 1 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 0 2.7351832 -23.201162 -15.564913 1 1354 1 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 0 3.48878 -22.171652 -16.266262 1 1355 1 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 0 2.7380571 -21.805729 -17.542091 1 1356 1 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 0 2.099906 -22.658094 -18.169493 1 1357 1 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 0 4.9305406 -22.61649 -16.604715 1 1358 1 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 0 5.704485 -22.91124 -15.320322 1 1359 1 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 0 4.9317684 -23.81443 -17.535557 1 1360 1 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 0 2.7938716 -20.522377 -17.899004 1 1361 1 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 0 2.1621256 -20.056267 -19.124348 1 1362 1 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 0 3.1760235 -20.142666 -20.262772 1 1363 1 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 0 4.2123833 -19.469757 -20.232746 1 1364 1 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 0 1.6638459 -18.616991 -18.966091 1 1365 1 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 0 0.9298905 -18.025606 -20.171574 1 1366 1 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 0 0.5971397 -16.562439 -19.913452 1 1367 1 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 0 -0.33515143 -18.823202 -20.473148 1 1368 1 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 0 2.8847637 -20.959597 -21.244774 1 1369 1 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 0 3.7779074 -21.156197 -22.382347 1 1370 1 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 0 3.595109 -20.030685 -23.398813 1 1371 1 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 0 2.607262 -19.287905 -23.370722 1 1372 1 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 0 3.5014844 -22.509579 -23.034634 1 1373 1 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 0 3.6795628 -23.683208 -22.084293 1 1374 1 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 0 3.135286 -24.97671 -22.639849 1 1375 1 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 0 3.8931909 -25.839663 -23.077972 1 1376 1 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 0 1.8117722 -25.103416 -22.653044 1 1377 1 +ATOM N N . SER A0 1 181 . 181 SER A0 N 0 4.5757217 -19.894962 -24.300877 1 1378 1 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 0 4.5158815 -18.845322 -25.314987 1 1379 1 +ATOM C C . SER A0 1 181 . 181 SER A0 C 0 3.2929091 -18.99197 -26.216064 1 1380 1 +ATOM O O . SER A0 1 181 . 181 SER A0 O 0 2.8673344 -18.01773 -26.840202 1 1381 1 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 0 5.7967043 -18.852028 -26.15641 1 1382 1 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 0 5.9547296 -20.080051 -26.821857 1 1383 1 +ATOM N N . SER A0 1 182 . 182 SER A0 N 0 2.7331817 -20.187624 -26.275307 1 1384 1 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 0 1.5281619 -20.442007 -27.054632 1 1385 1 +ATOM C C . SER A0 1 182 . 182 SER A0 C 0 0.28318593 -19.826298 -26.42919 1 1386 1 +ATOM O O . SER A0 1 182 . 182 SER A0 O 0 -0.7521017 -19.729954 -27.090528 1 1387 1 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 0 1.3192916 -21.950634 -27.211105 1 1388 1 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 0 1.095551 -22.545952 -25.950516 1 1389 1 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 0 0.3854335 -19.416016 -25.168108 1 1390 1 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 0 -0.7648959 -18.915113 -24.444965 1 1391 1 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 0 -1.510483 -19.988186 -23.679218 1 1392 1 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 0 -2.5167155 -19.694233 -23.031342 1 1393 1 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 0 -1.0117826 -21.223263 -23.760113 1 1394 1 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 0 -1.6044071 -22.338629 -23.039108 1 1395 1 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 0 -0.76286674 -22.678265 -21.816383 1 1396 1 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 0 0.43865585 -22.40527 -21.7873 1 1397 1 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 0 -1.7262698 -23.565643 -23.947285 1 1398 1 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 0 -2.5156436 -23.37307 -25.245651 1 1399 1 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 0 -2.4012446 -24.611393 -26.12654 1 1400 1 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 0 -3.9670267 -23.047722 -24.943811 1 1401 1 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 0 -1.387049 -23.267258 -20.810266 1 1402 1 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 0 -0.7026028 -23.622639 -19.578238 1 1403 1 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 0 -0.19792603 -25.056938 -19.61475 1 1404 1 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 0 -0.688831 -25.887306 -20.377872 1 1405 1 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 0 -1.6314747 -23.452477 -18.371868 1 1406 1 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 0 -2.0038233 -22.01854 -18.08094 1 1407 1 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 0 -3.1906905 -21.477512 -18.54988 1 1408 1 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 0 -1.1736628 -21.211777 -17.3208 1 1409 1 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 0 -3.5395005 -20.167189 -18.278273 1 1410 1 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 0 -1.514486 -19.897984 -17.041416 1 1411 1 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 0 -2.7017183 -19.38565 -17.525743 1 1412 1 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 0 -3.0408752 -18.089893 -17.246723 1 1413 1 +ATOM N N . SER A0 1 186 . 186 SER A0 N 0 0.7716291 -25.333115 -18.769957 1 1414 1 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 0 1.3179338 -26.676466 -18.612436 1 1415 1 +ATOM C C . SER A0 1 186 . 186 SER A0 C 0 1.7856176 -26.846336 -17.173788 1 1416 1 +ATOM O O . SER A0 1 186 . 186 SER A0 O 0 2.3271637 -25.907303 -16.580002 1 1417 1 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 0 2.4791307 -26.913126 -19.579655 1 1418 1 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 0 3.0352266 -28.215155 -19.428734 1 1419 1 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 0 1.60232 -28.031479 -16.622953 1 1420 1 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 0 2.1565177 -28.348288 -15.317564 1 1421 1 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 0 2.494954 -29.826221 -15.2372875 1 1422 1 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 0 2.0403287 -30.621216 -16.061935 1 1423 1 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 0 1.2176702 -27.950817 -14.178971 1 1424 1 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 0 -0.10451916 -28.673122 -13.929556 1 1425 1 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 0 -0.9667765 -27.8264 -12.986782 1 1426 1 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 0 0.06300227 -30.075562 -13.326666 1 1427 1 +ATOM N N . SER A0 1 188 . 188 SER A0 N 0 3.302031 -30.17451 -14.256161 1 1428 1 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 0 3.6119194 -31.5713 -13.973471 1 1429 1 +ATOM C C . SER A0 1 188 . 188 SER A0 C 0 3.2460675 -31.894228 -12.537173 1 1430 1 +ATOM O O . SER A0 1 188 . 188 SER A0 O 0 3.2952476 -31.03028 -11.657543 1 1431 1 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 0 5.095148 -31.876888 -14.2034025 1 1432 1 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 0 5.396758 -31.9697 -15.575531 1 1433 1 +ATOM N N . SER A0 1 189 . 189 SER A0 N 0 2.8475642 -33.12796 -12.325025 1 1434 1 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 0 2.6199918 -33.65255 -10.982447 1 1435 1 +ATOM C C . SER A0 1 189 . 189 SER A0 C 0 3.4978108 -34.88516 -10.838542 1 1436 1 +ATOM O O . SER A0 1 189 . 189 SER A0 O 0 3.4593189 -35.776608 -11.694814 1 1437 1 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 0 1.1474177 -34.003365 -10.767906 1 1438 1 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 0 0.9173403 -34.512283 -9.455585 1 1439 1 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 0 4.290685 -34.9093 -9.771384 1 1440 1 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 0 5.202486 -36.03303 -9.567469 1 1441 1 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 0 4.9672103 -36.6499 -8.195346 1 1442 1 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 0 4.3729916 -36.03494 -7.307158 1 1443 1 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 0 6.6849456 -35.612534 -9.700304 1 1444 1 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 0 6.9597106 -35.05076 -11.087743 1 1445 1 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 0 7.0552816 -34.61021 -8.616964 1 1446 1 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 0 5.4344873 -37.89393 -8.05899 1 1447 1 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 0 5.347923 -38.58249 -6.775612 1 1448 1 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 0 6.5367026 -39.530647 -6.669696 1 1449 1 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 0 6.964764 -40.113014 -7.671957 1 1450 1 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 0 4.0034027 -39.34513 -6.6226053 1 1451 1 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 0 3.8907726 -39.974922 -5.2362957 1 1452 1 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 0 3.8285062 -40.388588 -7.7154074 1 1453 1 +ATOM N N . THR A0 1 192 . 192 THR A0 N 0 7.0828238 -39.645798 -5.4590592 1 1454 1 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 0 8.139581 -40.61582 -5.2101183 1 1455 1 +ATOM C C . THR A0 1 192 . 192 THR A0 C 0 7.543066 -41.824837 -4.4995003 1 1456 1 +ATOM O O . THR A0 1 192 . 192 THR A0 O 0 6.728236 -41.682137 -3.5751204 1 1457 1 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 0 9.288637 -40.01565 -4.3713303 1 1458 1 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 0 8.752089 -39.39508 -3.209395 1 1459 1 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 0 10.075222 -39.002117 -5.187011 1 1460 1 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 0 7.935817 -43.020782 -4.951562 1 1461 1 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 0 7.39329 -44.28105 -4.440292 1 1462 1 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 0 8.537788 -45.278244 -4.2574024 1 1463 1 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 0 9.629837 -45.08649 -4.792656 1 1464 1 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 0 6.328137 -44.874615 -5.395721 1 1465 1 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 0 5.1646204 -43.895203 -5.587628 1 1466 1 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 0 6.9634705 -45.219986 -6.7363176 1 1467 1 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 0 8.294813 -46.35365 -3.4930892 1 1468 1 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 0 9.337724 -47.37947 -3.3799534 1 1469 1 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 0 9.617117 -48.02632 -4.7393737 1 1470 1 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 0 8.68429 -48.365887 -5.4702435 1 1471 1 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 0 8.741247 -48.387413 -2.3866384 1 1472 1 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 0 7.7061768 -47.619064 -1.6223242 1 1473 1 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 0 7.1488714 -46.6426 -2.6113653 1 1474 1 +ATOM N N . SER A0 1 195 . 195 SER A0 N 0 10.901899 -48.181805 -5.0542707 1 1475 1 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 0 11.2612 -48.829994 -6.3212957 1 1476 1 +ATOM C C . SER A0 1 195 . 195 SER A0 C 0 10.699862 -50.242355 -6.3994446 1 1477 1 +ATOM O O . SER A0 1 195 . 195 SER A0 O 0 10.356809 -50.71946 -7.4826765 1 1478 1 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 0 12.782024 -48.86937 -6.4816265 1 1479 1 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 0 13.329571 -47.569687 -6.5296364 1 1480 1 +ATOM N N . SER A0 1 196 . 196 SER A0 N 0 10.586388 -50.904633 -5.2619476 1 1481 1 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 0 10.083683 -52.27719 -5.2252774 1 1482 1 +ATOM C C . SER A0 1 196 . 196 SER A0 C 0 8.614127 -52.370163 -5.6075068 1 1483 1 +ATOM O O . SER A0 1 196 . 196 SER A0 O 0 8.139134 -53.466454 -5.9287925 1 1484 1 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 0 10.297743 -52.874924 -3.8322155 1 1485 1 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 0 9.606542 -52.12276 -2.8494482 1 1486 1 +ATOM N N . SER A0 1 197 . 197 SER A0 N 0 7.892062 -51.24016 -5.5747976 1 1487 1 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 0 6.4733086 -51.25899 -5.917329 1 1488 1 +ATOM C C . SER A0 1 197 . 197 SER A0 C 0 6.240402 -51.189556 -7.417611 1 1489 1 +ATOM O O . SER A0 1 197 . 197 SER A0 O 0 5.125614 -51.468155 -7.8662205 1 1490 1 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 0 5.7494917 -50.110077 -5.223557 1 1491 1 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 0 6.1005225 -48.862175 -5.804928 1 1492 1 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 0 7.2664695 -50.81705 -8.182569 1 1493 1 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 0 7.11224 -50.723564 -9.626584 1 1494 1 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 0 6.8474855 -52.117203 -10.210619 1 1495 1 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 0 7.5885115 -53.064636 -9.950075 1 1496 1 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 0 8.365601 -50.11821 -10.267692 1 1497 1 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 0 8.713714 -48.687885 -9.835717 1 1498 1 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 0 9.998158 -48.245487 -10.512218 1 1499 1 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 0 7.58707 -47.729412 -10.111521 1 1500 1 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 0 5.811159 -52.25322 -10.974142 1 1501 1 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 0 5.4267197 -53.525803 -11.556931 1 1502 1 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 0 4.4093933 -54.28677 -10.74333 1 1503 1 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 0 3.7668629 -55.20423 -11.273752 1 1504 1 +ATOM N N . THR A0 1 200 . 200 THR A0 N 0 4.233636 -53.907097 -9.474163 1 1505 1 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 0 3.245215 -54.56746 -8.630209 1 1506 1 +ATOM C C . THR A0 1 200 . 200 THR A0 C 0 2.1170812 -53.627087 -8.214405 1 1507 1 +ATOM O O . THR A0 1 200 . 200 THR A0 O 0 0.9955311 -54.07847 -7.992128 1 1508 1 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 0 3.8974707 -55.165237 -7.3691854 1 1509 1 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 0 4.5475187 -54.1292 -6.641823 1 1510 1 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 0 4.9250298 -56.223717 -7.749235 1 1511 1 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 0 2.412432 -52.347187 -8.100886 1 1512 1 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 0 1.4194589 -51.344536 -7.725493 1 1513 1 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 0 1.0656004 -50.497734 -8.939672 1 1514 1 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 0 1.9547092 -50.06391 -9.680217 1 1515 1 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 0 1.9543555 -50.459385 -6.593011 1 1516 1 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 0 1.0263675 -49.313766 -6.2072396 1 1517 1 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 0 -0.27297634 -49.78959 -5.590928 1 1518 1 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 0 -0.25932458 -50.609 -4.6825867 1 1519 1 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 0 -1.4001223 -49.305412 -6.1009765 1 1520 1 +ATOM N N . THR A0 1 202 . 202 THR A0 N 0 -0.21764536 -50.23932 -9.124153 1 1521 1 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 0 -0.67319024 -49.398167 -10.221374 1 1522 1 +ATOM C C . THR A0 1 202 . 202 THR A0 C 0 -0.71246666 -47.9438 -9.776305 1 1523 1 +ATOM O O . THR A0 1 202 . 202 THR A0 O 0 -1.2362134 -47.62527 -8.704058 1 1524 1 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 0 -2.0662334 -49.8305 -10.701254 1 1525 1 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 0 -1.9923377 -51.16947 -11.202175 1 1526 1 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 0 -2.5871563 -48.905624 -11.793892 1 1527 1 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 0 -0.15328611 -47.040134 -10.598648 1 1528 1 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 0 -0.1596853 -45.61431 -10.322424 1 1529 1 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 0 -0.92462254 -44.88778 -11.417985 1 1530 1 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 0 -0.56419635 -44.98154 -12.595078 1 1531 1 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 0 1.2690308 -45.072273 -10.196821 1 1532 1 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 0 2.0018492 -45.66378 -9.010963 1 1533 1 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 0 2.9886785 -46.625175 -9.177208 1 1534 1 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 0 1.6951904 -45.245792 -7.7244396 1 1535 1 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 0 3.645371 -47.166824 -8.088295 1 1536 1 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 0 2.3490462 -45.784042 -6.6295967 1 1537 1 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 0 3.3251934 -46.747204 -6.815936 1 1538 1 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 0 3.9703293 -47.27986 -5.742845 1 1539 1 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 0 -1.9832423 -44.172028 -11.024969 1 1540 1 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 0 -2.8421125 -43.457783 -11.95829 1 1541 1 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 0 -2.9839547 -42.00879 -11.50036 1 1542 1 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 0 -3.3300169 -41.753815 -10.342089 1 1543 1 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 0 -4.2366695 -44.107773 -12.049281 1 1544 1 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 0 -4.126813 -45.546204 -12.577235 1 1545 1 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 0 -5.1621256 -43.278862 -12.947344 1 1546 1 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 0 -5.4306297 -46.32888 -12.531968 1 1547 1 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 0 -2.6845975 -41.04106 -12.415937 1 1548 1 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 0 -2.9532223 -39.64482 -12.103053 1 1549 1 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 0 -4.3349867 -39.289635 -12.627832 1 1550 1 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 0 -4.698889 -39.649567 -13.749326 1 1551 1 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 0 -1.8830385 -38.711052 -12.668919 1 1552 1 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 0 -1.8353815 -38.57573 -14.447804 1 1553 1 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 0 -5.1212826 -38.60573 -11.7738285 1 1554 1 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 0 -6.4808817 -38.206997 -12.112644 1 1555 1 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 0 -6.490965 -36.700882 -12.335119 1 1556 1 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 0 -6.274749 -35.92958 -11.390795 1 1557 1 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 0 -7.459823 -38.584007 -10.986479 1 1558 1 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 0 -7.134588 -39.91716 -10.364271 1 1559 1 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 0 -6.610468 -39.97151 -9.232942 1 1560 1 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 0 -7.415988 -40.99934 -11.061113 1 1561 1 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 0 -6.722366 -36.298378 -13.581646 1 1562 1 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 0 -6.6553783 -34.893303 -13.962648 1 1563 1 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 0 -8.059352 -34.375107 -14.259583 1 1564 1 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 0 -8.8102665 -35.002792 -15.014673 1 1565 1 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 0 -5.744505 -34.68898 -15.190904 1 1566 1 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 0 -5.709858 -33.229004 -15.602201 1 1567 1 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 0 -4.337226 -35.203735 -14.898045 1 1568 1 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 0 -8.399013 -33.218693 -13.667902 1 1569 1 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 0 -9.702446 -32.604317 -13.883029 1 1570 1 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 0 -9.515072 -31.152706 -14.307409 1 1571 1 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 0 -8.875928 -30.370094 -13.592424 1 1572 1 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 0 -10.54938 -32.683243 -12.609047 1 1573 1 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 0 -11.977635 -32.227608 -12.82759 1 1574 1 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 0 -12.427398 -32.08264 -13.964042 1 1575 1 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 0 -12.711519 -32.025143 -11.754576 1 1576 1 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 0 -10.054529 -30.806164 -15.465862 1 1577 1 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 0 -10.047459 -29.434391 -15.972802 1 1578 1 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 0 -11.496539 -29.002472 -16.166286 1 1579 1 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 0 -12.10221 -29.265442 -17.215889 1 1580 1 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 0 -9.261272 -29.324795 -17.280476 1 1581 1 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 0 -9.149277 -27.924084 -17.795822 1 1582 1 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 0 -9.593519 -27.554646 -19.05194 1 1583 1 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 0 -8.621462 -26.814255 -17.24074 1 1584 1 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 0 -9.351825 -26.269562 -19.22931 1 1585 1 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 0 -8.758564 -25.791445 -18.148264 1 1586 1 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 0 -12.038172 -28.38132 -15.147022 1 1587 1 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 0 -13.45877 -28.038853 -15.135435 1 1588 1 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 0 -13.8597355 -27.074846 -16.246304 1 1589 1 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 0 -14.949956 -27.228102 -16.809492 1 1590 1 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 0 -13.852787 -27.473572 -13.763283 1 1591 1 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 0 -13.819763 -28.506577 -12.653845 1 1592 1 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 0 -14.279417 -27.908987 -11.327444 1 1593 1 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 0 -14.239567 -28.960443 -10.22312 1 1594 1 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 0 -14.671921 -28.397278 -8.921131 1 1595 1 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 0 -13.029134 -26.047596 -16.598032 1 1596 1 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 0 -13.45683 -25.121479 -17.659588 1 1597 1 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 0 -13.773521 -25.801146 -18.989994 1 1598 1 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 0 -14.6068735 -25.297377 -19.745714 1 1599 1 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 0 -12.267574 -24.163061 -17.792007 1 1600 1 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 0 -11.650275 -24.15868 -16.424706 1 1601 1 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 0 -11.778217 -25.586004 -15.953728 1 1602 1 +ATOM N N . SER A0 1 212 . 212 SER A0 N 0 -13.119379 -26.932726 -19.29596 1 1603 1 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 0 -13.388416 -27.660658 -20.530668 1 1604 1 +ATOM C C . SER A0 1 212 . 212 SER A0 C 0 -14.172468 -28.939621 -20.286911 1 1605 1 +ATOM O O . SER A0 1 212 . 212 SER A0 O 0 -14.397881 -29.706709 -21.22257 1 1606 1 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 0 -12.074808 -27.999506 -21.249779 1 1607 1 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 0 -11.310598 -28.939098 -20.510086 1 1608 1 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 0 -14.571511 -29.156586 -19.049652 1 1609 1 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 0 -15.28489 -30.378777 -18.667263 1 1610 1 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 0 -14.499753 -31.61632 -19.083963 1 1611 1 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 0 -15.054561 -32.56448 -19.65534 1 1612 1 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 0 -16.692003 -30.393055 -19.271793 1 1613 1 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 0 -17.580061 -31.44734 -18.645714 1 1614 1 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 0 -17.403774 -31.79815 -17.481972 1 1615 1 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 0 -18.54914 -31.942245 -19.410328 1 1616 1 +ATOM N N . THR A0 1 214 . 214 THR A0 N 0 -13.193494 -31.608976 -18.826763 1 1617 1 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 0 -12.300946 -32.70347 -19.200012 1 1618 1 +ATOM C C . THR A0 1 214 . 214 THR A0 C 0 -11.798611 -33.427807 -17.958275 1 1619 1 +ATOM O O . THR A0 1 214 . 214 THR A0 O 0 -11.273733 -32.799927 -17.03804 1 1620 1 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 0 -11.095104 -32.186714 -20.001348 1 1621 1 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 0 -11.558708 -31.52082 -21.178547 1 1622 1 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 0 -10.171534 -33.328285 -20.398684 1 1623 1 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 0 -11.969059 -34.730537 -17.95589 1 1624 1 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 0 -11.4179535 -35.59491 -16.919434 1 1625 1 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 0 -10.593418 -36.680725 -17.596004 1 1626 1 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 0 -11.071287 -37.332912 -18.530426 1 1627 1 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 0 -12.514927 -36.231544 -16.06439 1 1628 1 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 0 -13.195742 -35.26995 -15.11124 1 1629 1 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 0 -14.135452 -36.02841 -14.177338 1 1630 1 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 0 -14.785554 -35.08921 -13.175091 1 1631 1 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 0 -15.662469 -35.830162 -12.232697 1 1632 1 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 0 -9.361475 -36.86575 -17.125118 1 1633 1 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 0 -8.463914 -37.866158 -17.701698 1 1634 1 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 0 -7.821679 -38.66877 -16.581802 1 1635 1 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 0 -7.3402224 -38.08902 -15.596598 1 1636 1 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 0 -7.3627915 -37.218525 -18.567638 1 1637 1 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 0 -6.393635 -38.285774 -19.096928 1 1638 1 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 0 -7.9728665 -36.430676 -19.717484 1 1639 1 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 0 -7.817252 -39.96689 -16.723204 1 1640 1 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 0 -7.08366 -40.85717 -15.835341 1 1641 1 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 0 -5.951244 -41.479263 -16.638386 1 1642 1 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 0 -6.2078543 -42.162334 -17.638737 1 1643 1 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 0 -7.987212 -41.95957 -15.271955 1 1644 1 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 0 -9.084743 -41.401604 -14.384174 1 1645 1 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 0 -10.211462 -41.930573 -14.434135 1 1646 1 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 0 -8.815424 -40.445152 -13.625225 1 1647 1 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 0 -4.719382 -41.231697 -16.234026 1 1648 1 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 0 -3.5659194 -41.71898 -16.97054 1 1649 1 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 0 -2.764399 -42.685463 -16.123817 1 1650 1 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 0 -2.260407 -42.315434 -15.05322 1 1651 1 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 0 -2.6770718 -40.55701 -17.411545 1 1652 1 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 0 -1.412761 -40.967796 -18.160873 1 1653 1 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 0 -1.7071934 -41.685493 -19.477928 1 1654 1 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 0 -2.4317293 -40.801716 -20.476227 1 1655 1 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 0 -2.5858533 -41.48452 -21.769814 1 1656 1 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 0 -2.631115 -43.906372 -16.610565 1 1657 1 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 0 -1.829119 -44.911903 -15.931925 1 1658 1 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 0 -0.36125344 -44.67832 -16.257385 1 1659 1 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 0 -0.005848012 -44.482384 -17.425774 1 1660 1 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 0 -2.25032 -46.31846 -16.363121 1 1661 1 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 0 -1.5455873 -47.4419 -15.6163435 1 1662 1 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 0 -2.1096501 -48.77849 -16.040462 1 1663 1 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 0 -1.4654405 -49.8955 -15.348728 1 1664 1 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 0 -1.7484608 -51.161446 -15.5521145 1 1665 1 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 0 -2.6641202 -51.50138 -16.445484 1 1666 1 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 0 -1.1163235 -52.111 -14.884679 1 1667 1 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 0 0.48836714 -44.664112 -15.240623 1 1668 1 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 0 1.9141278 -44.4414 -15.428461 1 1669 1 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 0 2.6702952 -45.72536 -15.120811 1 1670 1 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 0 2.6354747 -46.21822 -13.997126 1 1671 1 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 0 2.4176164 -43.284622 -14.534822 1 1672 1 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 0 1.602767 -41.994343 -14.782357 1 1673 1 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 0 3.8705027 -42.949993 -14.866853 1 1674 1 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 0 3.3347027 -46.27646 -16.149353 1 1675 1 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 0 4.0275393 -47.557816 -16.032417 1 1676 1 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 0 5.510581 -47.395237 -16.366146 1 1677 1 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 0 5.887452 -46.495342 -17.120817 1 1678 1 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 0 3.4121542 -48.590504 -16.983318 1 1679 1 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 0 1.9519657 -48.878124 -16.711796 1 1680 1 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 0 1.3814652 -49.881676 -17.678814 1 1681 1 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 0 0.62573946 -50.76619 -17.242786 1 1682 1 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 0 1.6896517 -49.789463 -18.882763 1 1683 1 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 0 6.3581963 -48.280563 -15.809172 1 1684 1 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 0 7.780991 -48.231277 -16.15723 1 1685 1 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 0 7.9996743 -48.475132 -17.646988 1 1686 1 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 0 7.2572713 -49.23443 -18.2756 1 1687 1 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 0 8.394129 -49.361 -15.307867 1 1688 1 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 0 7.417431 -49.55899 -14.18613 1 1689 1 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 0 6.073635 -49.279305 -14.779289 1 1690 1 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 0 9.012379 -47.830666 -18.185219 1 1691 1 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 0 9.329223 -48.002132 -19.604206 1 1692 1 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 0 10.831902 -48.03176 -19.787642 1 1693 1 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 0 11.559631 -47.32065 -19.118448 1 1694 1 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 0 8.724471 -46.859047 -20.438404 1 1695 1 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 0 9.018269 -46.949554 -21.936035 1 1696 1 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 0 8.3444195 -45.821465 -22.68623 1 1697 1 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 0 8.688845 -45.860565 -24.165169 1 1698 1 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 0 8.248507 -47.089493 -24.837341 1 1699 1 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 0 11.34076 -48.749874 -20.654703 1 1700 1 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 0 8.478722 7.563903 -2.9825213 1 1701 1 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 0 8.487913 6.104588 -3.118287 1 1702 1 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 0 9.065465 5.437828 -1.8729433 1 1703 1 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 0 9.681738 6.086543 -1.027746 1 1704 1 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 0 9.286707 5.674951 -4.350684 1 1705 1 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 0 10.731871 6.137255 -4.331248 1 1706 1 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 0 10.986053 7.360779 -5.2020063 1 1707 1 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 0 12.098564 7.557567 -5.680879 1 1708 1 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 0 9.977248 8.198484 -5.4145694 1 1709 1 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 0 8.858091 4.1165657 -1.7374816 1 1710 1 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 0 9.307711 3.359933 -0.58190644 1 1711 1 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 0 10.289276 2.2748876 -1.0054433 1 1712 1 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 0 10.061682 1.5780828 -1.9923265 1 1713 1 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 0 8.123768 2.7128546 0.1333733 1 1714 1 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 0 7.056196 3.6427865 0.7129923 1 1715 1 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 0 5.9048405 2.8217854 1.2745707 1 1716 1 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 0 7.6379566 4.546025 1.778158 1 1717 1 +ATOM N N . THR B0 2 3 . 3 THR B0 N 0 11.365587 2.1252573 -0.2355093 1 1718 1 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 0 12.342175 1.0666828 -0.45195153 1 1719 1 +ATOM C C . THR B0 2 3 . 3 THR B0 C 0 12.2993355 0.13392724 0.7523818 1 1720 1 +ATOM O O . THR B0 2 3 . 3 THR B0 O 0 12.618122 0.5451586 1.8690423 1 1721 1 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 0 13.759262 1.6405964 -0.6295021 1 1722 1 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 0 13.778624 2.5231073 -1.7566448 1 1723 1 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 0 14.773607 0.5225983 -0.8484191 1 1724 1 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 0 11.902237 -1.1108862 0.5160851 1 1725 1 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 0 11.736873 -2.09203 1.5776689 1 1726 1 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 0 12.868368 -3.106556 1.5296286 1 1727 1 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 0 13.263781 -3.5556908 0.44950444 1 1728 1 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 0 10.372814 -2.7760115 1.4285533 1 1729 1 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 0 9.959166 -3.6018598 2.6280913 1 1730 1 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 0 8.511328 -4.040434 2.538911 1 1731 1 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 0 7.700898 -3.4068878 1.8643498 1 1732 1 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 0 8.165128 -5.128127 3.2254703 1 1733 1 +ATOM N N . SER B0 2 5 . 5 SER B0 N 0 13.410167 -3.4573174 2.6946478 1 1734 1 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 0 14.520243 -4.4013634 2.7483897 1 1735 1 +ATOM C C . SER B0 2 5 . 5 SER B0 C 0 14.434584 -5.2646885 3.9971228 1 1736 1 +ATOM O O . SER B0 2 5 . 5 SER B0 O 0 13.926325 -4.810944 5.03109 1 1737 1 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 0 15.865212 -3.6481233 2.7066429 1 1738 1 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 0 16.003956 -2.8180356 3.825916 1 1739 1 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 0 14.9268265 -6.5028524 3.939157 1 1740 1 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 0 15.388111 -7.1622458 2.7057297 1 1741 1 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 0 14.210581 -7.623991 1.8626571 1 1742 1 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 0 13.073967 -7.6023407 2.3234005 1 1743 1 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 0 16.187294 -8.350653 3.2439146 1 1744 1 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 0 15.467612 -8.72646 4.497832 1 1745 1 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 0 15.018322 -7.417207 5.101099 1 1746 1 +ATOM N N . SER B0 2 7 . 7 SER B0 N 0 14.492279 -8.005649 0.62171817 1 1747 1 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 0 13.422947 -8.519581 -0.22658886 1 1748 1 +ATOM C C . SER B0 2 7 . 7 SER B0 C 0 12.939895 -9.881581 0.259692 1 1749 1 +ATOM O O . SER B0 2 7 . 7 SER B0 O 0 11.777043 -10.238937 0.05228702 1 1750 1 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 0 13.880074 -8.600286 -1.6803071 1 1751 1 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 0 14.966879 -9.479067 -1.8293517 1 1752 1 +ATOM N N . SER B0 2 8 . 8 SER B0 N 0 13.818623 -10.632404 0.9025247 1 1753 1 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 0 13.453896 -11.904449 1.5047395 1 1754 1 +ATOM C C . SER B0 2 8 . 8 SER B0 C 0 14.425175 -12.227985 2.6239157 1 1755 1 +ATOM O O . SER B0 2 8 . 8 SER B0 O 0 15.541512 -11.7197075 2.6587055 1 1756 1 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 0 13.441498 -13.0406475 0.47071815 1 1757 1 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 0 14.736444 -13.321541 -0.005237398 1 1758 1 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 0 13.976915 -13.054942 3.552135 1 1759 1 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 0 14.831312 -13.512357 4.6330957 1 1760 1 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 0 14.332631 -14.860313 5.125602 1 1761 1 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 0 13.16852 -15.200498 4.9607205 1 1762 1 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 0 14.868126 -12.49416 5.7819386 1 1763 1 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 0 13.574054 -12.20854 6.5356693 1 1764 1 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 0 13.566461 -10.768221 7.059379 1 1765 1 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 0 13.393925 -13.186877 7.71117 1 1766 1 +ATOM N N . SER B0 2 10 . 10 SER B0 N 0 15.236955 -15.641513 5.7156944 1 1767 1 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 0 14.8952265 -16.920002 6.3281956 1 1768 1 +ATOM C C . SER B0 2 10 . 10 SER B0 C 0 15.074836 -16.811377 7.832548 1 1769 1 +ATOM O O . SER B0 2 10 . 10 SER B0 O 0 16.071133 -16.261822 8.308815 1 1770 1 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 0 15.76808 -18.040165 5.7712493 1 1771 1 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 0 15.553839 -18.228092 4.3891516 1 1772 1 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 0 14.110088 -17.315208 8.566324 1 1773 1 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 0 14.16671 -17.25602 10.021149 1 1774 1 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 0 13.496208 -18.48246 10.608875 1 1775 1 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 0 12.750014 -19.182997 9.930075 1 1776 1 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 0 13.496737 -15.980663 10.534373 1 1777 1 +ATOM N N . SER B0 2 12 . 12 SER B0 N 0 13.76494 -18.727129 11.890262 1 1778 1 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 0 13.194088 -19.866089 12.599215 1 1779 1 +ATOM C C . SER B0 2 12 . 12 SER B0 C 0 12.142036 -19.394833 13.598907 1 1780 1 +ATOM O O . SER B0 2 12 . 12 SER B0 O 0 12.147859 -18.237904 14.028083 1 1781 1 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 0 14.286057 -20.648426 13.3263855 1 1782 1 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 0 15.285698 -21.10738 12.43321 1 1783 1 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 0 11.247983 -20.305794 13.953928 1 1784 1 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 0 10.249937 -20.005032 14.975948 1 1785 1 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 0 10.974348 -19.57913 16.254585 1 1786 1 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 0 11.941055 -20.2077 16.673615 1 1787 1 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 0 9.348087 -21.223522 15.243498 1 1788 1 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 0 8.4616585 -20.989616 16.460758 1 1789 1 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 0 8.518205 -21.54728 14.009909 1 1790 1 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 0 10.513569 -18.476189 16.850805 1 1791 1 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 0 11.131063 -17.926853 18.043339 1 1792 1 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 0 12.123644 -16.81834 17.775623 1 1793 1 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 0 12.506891 -16.098774 18.703873 1 1794 1 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 0 12.557255 -16.645523 16.513172 1 1795 1 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 0 13.516205 -15.60305 16.161087 1 1796 1 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 0 12.874274 -14.222395 16.219244 1 1797 1 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 0 11.653704 -14.072989 16.079544 1 1798 1 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 0 14.071236 -15.828514 14.752013 1 1799 1 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 0 15.101805 -16.93185 14.674538 1 1800 1 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 0 15.453349 -17.499903 15.727203 1 1801 1 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 0 15.555178 -17.225842 13.54844 1 1802 1 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 0 13.709394 -13.213132 16.385118 1 1803 1 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 0 13.302827 -11.817401 16.277046 1 1804 1 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 0 13.581151 -11.374466 14.851033 1 1805 1 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 0 14.709964 -11.5121355 14.362953 1 1806 1 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 0 14.075209 -10.956792 17.273756 1 1807 1 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 0 13.616152 -9.51181 17.337132 1 1808 1 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 0 14.426203 -8.729663 18.35397 1 1809 1 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 0 13.752834 -7.5069118 18.795372 1 1810 1 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 0 12.940068 -7.4525557 19.839293 1 1811 1 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 0 12.686414 -8.542478 20.564884 1 1812 1 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 0 12.362524 -6.313269 20.14968 1 1813 1 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 0 12.551321 -10.847771 14.188988 1 1814 1 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 0 12.656319 -10.441302 12.791669 1 1815 1 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 0 12.410792 -8.940138 12.675711 1 1816 1 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 0 11.458714 -8.414558 13.261108 1 1817 1 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 0 11.652967 -11.210613 11.912831 1 1818 1 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 0 11.600559 -10.64001 10.505824 1 1819 1 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 0 12.023814 -12.686726 11.875065 1 1820 1 +ATOM N N . THR B0 2 18 . 18 THR B0 N 0 13.268689 -8.246696 11.911302 1 1821 1 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 0 13.125763 -6.820883 11.679033 1 1822 1 +ATOM C C . THR B0 2 18 . 18 THR B0 C 0 13.122507 -6.5441723 10.178326 1 1823 1 +ATOM O O . THR B0 2 18 . 18 THR B0 O 0 14.014841 -6.992078 9.457851 1 1824 1 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 0 14.249483 -6.0231504 12.358706 1 1825 1 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 0 14.213223 -6.2506595 13.767878 1 1826 1 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 0 14.106583 -4.5329976 12.089118 1 1827 1 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 0 12.105158 -5.814658 9.722322 1 1828 1 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 0 11.966349 -5.4173937 8.324678 1 1829 1 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 0 12.014028 -3.8953717 8.257817 1 1830 1 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 0 11.40083 -3.2220993 9.086746 1 1831 1 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 0 10.642513 -5.9442177 7.7340455 1 1832 1 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 0 10.614403 -7.473006 7.773123 1 1833 1 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 0 10.442417 -5.4310794 6.310125 1 1834 1 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 0 9.240736 -8.070763 7.5164404 1 1835 1 +ATOM N N . THR B0 2 20 . 20 THR B0 N 0 12.7457485 -3.3569312 7.2803802 1 1836 1 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 0 12.948026 -1.9179158 7.1683245 1 1837 1 +ATOM C C . THR B0 2 20 . 20 THR B0 C 0 12.224983 -1.3563485 5.947803 1 1838 1 +ATOM O O . THR B0 2 20 . 20 THR B0 O 0 12.172095 -2.0013347 4.895925 1 1839 1 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 0 14.447685 -1.5791302 7.0851717 1 1840 1 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 0 15.107548 -2.0657387 8.257528 1 1841 1 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 0 14.682024 -0.08046061 6.9587836 1 1842 1 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 0 11.667238 -0.15699977 6.0967817 1 1843 1 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 0 11.011829 0.5624424 5.0115876 1 1844 1 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 0 11.529577 1.9926679 5.012145 1 1845 1 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 0 11.391463 2.705104 6.006754 1 1846 1 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 0 9.502148 0.5392167 5.2092896 1 1847 1 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 0 8.548807 1.3734372 3.9469118 1 1848 1 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 0 12.15897 2.4248013 3.9029408 1 1849 1 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 0 12.730056 3.7655115 3.8066397 1 1850 1 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 0 11.965994 4.5757594 2.7698696 1 1851 1 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 0 11.747852 4.1100836 1.6427326 1 1852 1 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 0 14.20928 3.6975665 3.44065 1 1853 1 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 0 15.051605 3.020306 4.4977856 1 1854 1 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 0 16.531721 3.095414 4.148084 1 1855 1 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 0 17.349688 2.3732 5.133306 1 1856 1 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 0 17.809717 2.9118252 6.250593 1 1857 1 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 0 17.544857 4.18554 6.5348535 1 1858 1 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 0 18.528471 2.1857162 7.086567 1 1859 1 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 0 11.568522 5.7734656 3.1516232 1 1860 1 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 0 10.8397255 6.6729813 2.263882 1 1861 1 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 0 11.80012 7.6662655 1.6105576 1 1862 1 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 0 12.775462 8.088623 2.225675 1 1863 1 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 0 9.758018 7.4176893 3.0359979 1 1864 1 +ATOM N N . SER B0 2 24 . 24 SER B0 N 0 11.528043 8.031309 0.36269516 1 1865 1 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 0 12.379667 8.970591 -0.36389175 1 1866 1 +ATOM C C . SER B0 2 24 . 24 SER B0 C 0 12.184029 10.406412 0.09578622 1 1867 1 +ATOM O O . SER B0 2 24 . 24 SER B0 O 0 12.980484 11.278509 -0.27444237 1 1868 1 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 0 12.105028 8.873613 -1.8655852 1 1869 1 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 0 10.761446 9.204767 -2.1673775 1 1870 1 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 0 11.157516 10.66094 0.8825135 1 1871 1 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 0 10.90135 11.977671 1.4480941 1 1872 1 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 0 10.28163 11.805032 2.8287315 1 1873 1 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 0 9.8386135 10.711876 3.1861348 1 1874 1 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 0 9.965186 12.798667 0.5539583 1 1875 1 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 0 8.578658 12.181416 0.39351296 1 1876 1 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 0 7.692584 12.984008 -0.5332904 1 1877 1 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 0 8.184595 13.694509 -1.4115615 1 1878 1 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 0 6.3835564 12.879757 -0.35290885 1 1879 1 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 0 10.259327 12.875856 3.6069646 1 1880 1 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 0 9.697754 12.832277 4.9518948 1 1881 1 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 0 8.191276 12.601284 4.871252 1 1882 1 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 0 7.4640675 13.43436 4.338648 1 1883 1 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 0 10.003319 14.139759 5.690165 1 1884 1 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 0 9.626089 14.101024 7.1624537 1 1885 1 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 0 8.917736 13.169008 7.590596 1 1886 1 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 0 10.049841 15.015955 7.90359 1 1887 1 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 0 7.726888 11.453453 5.392381 1 1888 1 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 0 6.2999015 11.143805 5.4057407 1 1889 1 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 0 5.7381444 11.163055 6.822176 1 1890 1 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 0 4.6155252 10.68737 7.049802 1 1891 1 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 0 6.0041375 9.788237 4.735285 1 1892 1 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 0 6.6941123 8.645557 5.4794893 1 1893 1 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 0 6.4475727 9.8202305 3.269217 1 1894 1 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 0 6.285965 7.255582 4.992074 1 1895 1 +ATOM N N . SER B0 2 28 . 28 SER B0 N 0 6.4941187 11.711271 7.7720933 1 1896 1 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 0 6.063612 11.846293 9.162891 1 1897 1 +ATOM C C . SER B0 2 28 . 28 SER B0 C 0 5.606546 10.493704 9.71699 1 1898 1 +ATOM O O . SER B0 2 28 . 28 SER B0 O 0 6.3994446 9.558903 9.776487 1 1899 1 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 0 4.964799 12.89703 9.280216 1 1900 1 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 0 4.6828356 13.194356 10.626724 1 1901 1 +ATOM N N . SER B0 2 29 . 29 SER B0 N 0 4.3497534 10.357729 10.07789 1 1902 1 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 0 3.8128812 9.114506 10.631304 1 1903 1 +ATOM C C . SER B0 2 29 . 29 SER B0 C 0 2.8660102 8.398174 9.670984 1 1904 1 +ATOM O O . SER B0 2 29 . 29 SER B0 O 0 2.1338935 7.4925566 10.082916 1 1905 1 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 0 3.0847766 9.404018 11.948744 1 1906 1 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 0 3.956501 9.98241 12.904089 1 1907 1 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 0 2.8817232 8.765709 8.38294 1 1908 1 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 0 1.9290574 8.225455 7.4141626 1 1909 1 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 0 2.4150438 6.8975844 6.8342295 1 1910 1 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 0 2.6946592 6.7843714 5.6377926 1 1911 1 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 0 1.6839488 9.237438 6.2982707 1 1912 1 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 0 2.5084038 5.8612227 7.6824484 1 1913 1 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 0 3.0004575 4.563134 7.2420154 1 1914 1 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 0 2.1975045 3.4438236 7.8945103 1 1915 1 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 0 1.8921355 3.499165 9.082607 1 1916 1 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 0 4.4812884 4.3899584 7.577675 1 1917 1 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 0 5.1186333 3.1705413 6.8890805 1 1918 1 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 0 5.7907414 2.254108 7.8739057 1 1919 1 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 0 6.0047493 3.560032 5.7487087 1 1920 1 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 0 1.8810897 2.4210227 7.0960846 1 1921 1 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 0 1.1741493 1.2374325 7.569779 1 1922 1 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 0 1.9282627 -0.014971132 7.132681 1 1923 1 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 0 2.7192645 0.018534131 6.1863365 1 1924 1 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 0 -0.25653282 1.202969 7.028389 1 1925 1 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 0 1.6730182 -1.1257474 7.83077 1 1926 1 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 0 2.264658 -2.41953 7.517227 1 1927 1 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 0 1.1747522 -3.4596171 7.3090763 1 1928 1 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 0 0.19225717 -3.5067708 8.058334 1 1929 1 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 0 3.188983 -2.8887165 8.654332 1 1930 1 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 0 4.460292 -2.117824 8.801726 1 1931 1 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 0 4.6951804 -1.0938387 9.668533 1 1932 1 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 0 5.680107 -2.3168516 8.081116 1 1933 1 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 0 5.993923 -0.647526 9.54014 1 1934 1 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 0 6.611617 -1.3740776 8.566809 1 1935 1 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 0 6.069478 -3.1953387 7.0717373 1 1936 1 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 0 7.9207506 -1.2970194 8.077284 1 1937 1 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 0 7.3626013 -3.1178493 6.589186 1 1938 1 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 0 8.271055 -2.1737905 7.088153 1 1939 1 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 0 1.3910983 -4.3420734 6.2912264 1 1940 1 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 0 0.44289356 -5.3955274 5.9541316 1 1941 1 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 0 1.138567 -6.745653 5.8716145 1 1942 1 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 0 2.328318 -6.828413 5.5586953 1 1943 1 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 0 -0.2298459 -5.118967 4.6002254 1 1944 1 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 0 -0.9576082 -3.8013713 4.5350823 1 1945 1 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 0 -0.28336185 -2.6389394 4.1738 1 1946 1 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 0 -2.3021622 -3.7104607 4.8407145 1 1947 1 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 0 -0.93495524 -1.4212948 4.125032 1 1948 1 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 0 -2.9655771 -2.4963236 4.793806 1 1949 1 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 0 -2.2768438 -1.3564827 4.4335084 1 1950 1 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 0 -2.9212952 -0.15254682 4.3944793 1 1951 1 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 0 0.36469007 -7.7884626 6.1222043 1 1952 1 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 0 0.82503474 -9.164642 5.9728355 1 1953 1 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 0 -0.0018284225 -9.837899 4.886284 1 1954 1 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 0 -1.2239417 -9.678478 4.8500195 1 1955 1 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 0 0.6580535 -9.924116 7.295208 1 1956 1 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 0 1.0495322 -11.398643 7.235967 1 1957 1 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 0 0.5470668 -12.175243 8.441818 1 1958 1 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 0 -0.65624833 -12.38957 8.594576 1 1959 1 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 0 1.4631214 -12.567636 9.323627 1 1960 1 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 0 0.66964847 -10.580473 3.9885516 1 1961 1 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 0 -0.05936892 -11.316109 2.9571857 1 1962 1 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 0 0.46517405 -12.741855 2.8456628 1 1963 1 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 0 1.6727961 -12.955505 2.7204409 1 1964 1 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 0 0.04179258 -10.621652 1.5988003 1 1965 1 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 0 -0.82715607 -11.301121 0.54749286 1 1966 1 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 0 -0.710081 -10.6769905 -0.81883526 1 1967 1 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 0 0.3751461 -10.279362 -1.2431324 1 1968 1 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 0 -1.8368852 -10.577956 -1.5254803 1 1969 1 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 0 -0.43478703 -13.687059 2.8925753 1 1970 1 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 0 -0.1085792 -15.096697 2.6984901 1 1971 1 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 0 -0.546236 -15.534038 1.3061514 1 1972 1 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 0 -1.4377875 -14.919187 0.7146094 1 1973 1 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 0 -0.77425325 -15.950048 3.783407 1 1974 1 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 0 -0.25171524 -15.63228 5.1719117 1 1975 1 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 0 -0.8428426 -16.555145 6.223374 1 1976 1 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 0 -0.23949063 -16.241116 7.5809574 1 1977 1 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 0 -0.7776946 -17.125744 8.636564 1 1978 1 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 0 0.09476301 -16.58934 0.7460253 1 1979 1 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 0 -0.22280395 -16.995037 -0.62498474 1 1980 1 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 0 -1.716073 -17.245491 -0.82470226 1 1981 1 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 0 -2.3626962 -17.929218 -0.030358681 1 1982 1 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 0 0.5852214 -18.278637 -0.80908185 1 1983 1 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 0 1.7557163 -18.112709 0.11123255 1 1984 1 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 0 1.193637 -17.391893 1.3141654 1 1985 1 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 0 -2.2550955 -16.653936 -1.8863481 1 1986 1 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 0 -3.6551938 -16.83539 -2.2287614 1 1987 1 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 0 -4.6314445 -16.069489 -1.3645728 1 1988 1 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 0 -5.845254 -16.253584 -1.5021291 1 1989 1 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 0 -4.119218 -15.203707 -0.47262686 1 1990 1 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 0 -4.9786386 -14.450531 0.4399535 1 1991 1 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 0 -4.8103824 -12.953188 0.23210672 1 1992 1 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 0 -3.7858505 -12.488486 -0.303096 1 1993 1 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 0 -4.657573 -14.804127 1.8929676 1 1994 1 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 0 -4.778815 -16.287357 2.220885 1 1995 1 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 0 -6.2191343 -16.774822 2.0942557 1 1996 1 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 0 -6.3325753 -18.237783 2.4912968 1 1997 1 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 0 -7.714283 -18.737827 2.3489914 1 1998 1 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 0 -5.808863 -12.196465 0.65480924 1 1999 1 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 0 -5.723201 -10.741623 0.6120397 1 2000 1 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 0 -4.781367 -10.244492 1.7050498 1 2001 1 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 0 -4.5891995 -10.914484 2.7217054 1 2002 1 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 0 -7.104136 -10.126155 0.7951212 1 2003 1 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 0 -4.189149 -9.063609 1.5153942 1 2004 1 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 0 -3.3725924 -8.492296 2.5887375 1 2005 1 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 0 -4.20054 -8.233126 3.8437936 1 2006 1 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 0 -5.4169455 -8.0435705 3.781597 1 2007 1 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 0 -2.8577433 -7.1810946 1.9806893 1 2008 1 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 0 -2.9179256 -7.405308 0.5049243 1 2009 1 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 0 -4.1377172 -8.258242 0.28795117 1 2010 1 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 0 -3.5183613 -8.24254 4.9909697 1 2011 1 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 0 -4.1471105 -7.9990273 6.282591 1 2012 1 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 0 -3.3864121 -6.8921185 6.9913073 1 2013 1 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 0 -2.1612287 -6.947917 7.11008 1 2014 1 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 0 -4.132721 -9.279657 7.1228333 1 2015 1 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 0 -4.5950313 -9.10563 8.554594 1 2016 1 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 0 -4.363827 -10.38637 9.345803 1 2017 1 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 0 -4.7084465 -10.19972 10.811817 1 2018 1 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 0 -4.4100676 -11.420448 11.605289 1 2019 1 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 0 -4.119593 -5.8699684 7.470267 1 2020 1 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 0 -3.4867828 -4.760817 8.178181 1 2021 1 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 0 -2.90664 -5.2205567 9.515299 1 2022 1 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 0 -3.5816069 -5.8972797 10.293406 1 2023 1 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 0 -4.5004864 -3.6352596 8.41988 1 2024 1 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 0 -3.9941418 -2.4221387 9.1953535 1 2025 1 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 0 -5.166811 -1.5297174 9.589958 1 2026 1 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 0 -2.9659853 -1.6469562 8.392976 1 2027 1 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 0 -1.6529713 -4.8535476 9.777567 1 2028 1 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 0 -1.0049977 -5.152254 11.042271 1 2029 1 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 0 -0.83435005 -3.8876703 11.882806 1 2030 1 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 0 -1.1959639 -3.8637936 13.060956 1 2031 1 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 0 0.3779644 -5.7693605 10.818682 1 2032 1 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 0 0.47140604 -7.0837183 10.05077 1 2033 1 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 0 1.9461476 -7.428056 9.824808 1 2034 1 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 0 -0.22836515 -8.194229 10.804265 1 2035 1 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 0 -0.2366429 -2.8674145 11.286497 1 2036 1 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 0 0.15943047 -1.6334183 11.966454 1 2037 1 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 0 -0.28121507 -0.44201666 11.119852 1 2038 1 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 0 -0.1552434 -0.4714623 9.892479 1 2039 1 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 0 1.6938611 -1.56699 12.169158 1 2040 1 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 0 2.2020874 -2.760449 12.9908085 1 2041 1 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 0 2.1154404 -0.24349137 12.779264 1 2042 1 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 0 1.8897111 -2.6958258 14.463403 1 2043 1 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 0 -0.80639076 0.6105752 11.766796 1 2044 1 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 0 -1.0856581 1.8603201 11.076659 1 2045 1 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 0 -0.5114033 3.0206509 11.860507 1 2046 1 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 0 -0.20689642 2.895924 13.054602 1 2047 1 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 0 -2.597367 2.0444202 10.839937 1 2048 1 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 0 -3.4350228 2.0909195 12.108782 1 2049 1 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 0 -3.957469 0.9255826 12.665716 1 2050 1 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 0 -3.7213645 3.2987757 12.72464 1 2051 1 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 0 -4.7336693 0.9652811 13.812757 1 2052 1 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 0 -4.502306 3.3495963 13.869344 1 2053 1 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 0 -5.0016713 2.1808028 14.403095 1 2054 1 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 0 -5.7728457 2.2244077 15.541564 1 2055 1 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 0 -0.33260846 4.1717057 11.19687 1 2056 1 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 0 0.2641195 5.354724 11.808049 1 2057 1 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 0 1.5628481 4.999156 12.531409 1 2058 1 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 0 1.8118608 5.4263744 13.654751 1 2059 1 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 0 -0.72471327 6.032837 12.760918 1 2060 1 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 0 -1.8783753 6.7079687 12.034891 1 2061 1 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 0 -1.8885739 6.713456 10.784637 1 2062 1 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 0 -2.7735932 7.240331 12.720978 1 2063 1 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 0 2.4087374 4.1897516 11.864125 1 2064 1 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 0 3.738546 3.7750685 12.288894 1 2065 1 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 0 3.7275867 2.7006888 13.37116 1 2066 1 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 0 4.35347 1.6549432 13.201272 1 2067 1 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 0 4.623769 4.962839 12.736863 1 2068 1 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 0 6.0100985 4.4821243 13.145397 1 2069 1 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 0 4.735714 6.001596 11.612661 1 2070 1 +ATOM N N . SER B0 2 50 . 50 SER B0 N 0 3.0055172 2.9482908 14.482071 1 2071 1 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 0 3.1393514 2.0771086 15.640153 1 2072 1 +ATOM C C . SER B0 2 50 . 50 SER B0 C 0 1.8229854 1.5979345 16.24289 1 2073 1 +ATOM O O . SER B0 2 50 . 50 SER B0 O 0 1.8545101 0.8746982 17.24116 1 2074 1 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 0 3.9648623 2.772863 16.73172 1 2075 1 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 0 3.318999 3.9539018 17.176197 1 2076 1 +ATOM N N . SER B0 2 51 . 51 SER B0 N 0 0.67506486 1.9814934 15.664007 1 2077 1 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 0 -0.60860986 1.5798866 16.22639 1 2078 1 +ATOM C C . SER B0 2 51 . 51 SER B0 C 0 -0.95971465 0.16089699 15.775543 1 2079 1 +ATOM O O . SER B0 2 51 . 51 SER B0 O 0 -1.0469499 -0.11832998 14.580403 1 2080 1 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 0 -1.7071264 2.5543342 15.810922 1 2081 1 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 0 -1.4677136 3.8527431 16.324955 1 2082 1 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 0 -1.1649151 -0.74010915 16.741661 1 2083 1 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 0 -1.4618526 -2.1397192 16.456837 1 2084 1 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 0 -2.9440675 -2.297328 16.1329 1 2085 1 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 0 -3.8068898 -1.8814466 16.904964 1 2086 1 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 0 -1.0871588 -3.0087128 17.655272 1 2087 1 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 0 -1.0243294 -4.5200243 17.452442 1 2088 1 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 0 -0.8785159 -5.230143 18.785822 1 2089 1 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 0 0.11193857 -4.8845205 16.506926 1 2090 1 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 0 -3.235034 -2.898792 14.966914 1 2091 1 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 0 -4.624855 -3.1271977 14.584614 1 2092 1 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 0 -5.2779 -4.1102777 15.552088 1 2093 1 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 0 -4.635993 -5.0356593 16.054367 1 2094 1 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 0 -4.691942 -3.66861 13.150103 1 2095 1 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 0 -6.0724173 -4.151565 12.699205 1 2096 1 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 0 -7.0944705 -3.0637217 12.488144 1 2097 1 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 0 -7.014208 -1.993228 13.137999 1 2098 1 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 0 -8.014885 -3.2665284 11.676271 1 2099 1 +ATOM N N . SER B0 2 54 . 54 SER B0 N 0 -6.567263 -3.9200919 15.812548 1 2100 1 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 0 -7.313187 -4.793454 16.710846 1 2101 1 +ATOM C C . SER B0 2 54 . 54 SER B0 C 0 -7.208877 -6.247254 16.249557 1 2102 1 +ATOM O O . SER B0 2 54 . 54 SER B0 O 0 -7.387413 -6.5564575 15.071081 1 2103 1 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 0 -8.780905 -4.356922 16.75634 1 2104 1 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 0 -9.550493 -5.2123346 17.578083 1 2105 1 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 0 -6.9231973 -7.1366386 17.185852 1 2106 1 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 0 -6.8145213 -8.5545435 16.896988 1 2107 1 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 0 -5.4368095 -9.018734 16.474453 1 2108 1 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 0 -5.2102337 -10.23117 16.376526 1 2109 1 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 0 -4.5190372 -8.087189 16.20887 1 2110 1 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 0 -3.16399 -8.454409 15.8040085 1 2111 1 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 0 -2.3339877 -8.748164 17.050137 1 2112 1 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 0 -2.3729453 -7.977824 18.017874 1 2113 1 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 0 -2.515223 -7.338846 14.968067 1 2114 1 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 0 -1.0725846 -7.673181 14.647423 1 2115 1 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 0 -3.3231492 -7.105771 13.688245 1 2116 1 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 0 -1.5860946 -9.869238 17.070526 1 2117 1 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 0 -0.79576206 -10.223492 18.255898 1 2118 1 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 0 0.2242248 -9.149321 18.626568 1 2119 1 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 0 0.78801465 -8.478777 17.760048 1 2120 1 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 0 -0.099339634 -11.528613 17.844873 1 2121 1 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 0 -0.9674262 -12.097323 16.772541 1 2122 1 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 0 -1.5063459 -10.907937 16.025826 1 2123 1 +ATOM N N . SER B0 2 58 . 58 SER B0 N 0 0.475873 -9.003195 19.933762 1 2124 1 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 0 1.3698175 -7.979779 20.445461 1 2125 1 +ATOM C C . SER B0 2 58 . 58 SER B0 C 0 2.8319001 -8.216696 20.086586 1 2126 1 +ATOM O O . SER B0 2 58 . 58 SER B0 O 0 3.667689 -7.330641 20.315823 1 2127 1 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 0 1.2232349 -7.858863 21.963863 1 2128 1 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 0 1.5426165 -9.077797 22.60466 1 2129 1 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 0 3.1749434 -9.389695 19.530617 1 2130 1 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 0 4.547426 -9.609445 19.103245 1 2131 1 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 0 4.9189577 -8.76162 17.89302 1 2132 1 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 0 6.106058 -8.607882 17.591675 1 2133 1 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 0 4.805786 -11.090502 18.814613 1 2134 1 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 0 4.020479 -11.654538 17.650677 1 2135 1 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 0 4.3096514 -13.146792 17.495945 1 2136 1 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 0 3.4870625 -13.772669 16.45316 1 2137 1 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 0 2.264176 -14.248761 16.67757 1 2138 1 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 0 1.7068431 -14.164793 17.889431 1 2139 1 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 0 1.6000634 -14.785947 15.6866665 1 2140 1 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 0 3.9086452 -8.174833 17.19928 1 2141 1 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 0 4.156004 -7.2433534 16.105497 1 2142 1 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 0 4.2540617 -5.818048 16.646374 1 2143 1 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 0 3.4246988 -5.4045496 17.461998 1 2144 1 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 0 3.0273662 -7.3064623 15.075088 1 2145 1 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 0 2.9681082 -8.591949 14.304138 1 2146 1 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 0 2.1584685 -9.63116 14.730186 1 2147 1 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 0 3.7148042 -8.756843 13.152374 1 2148 1 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 0 2.0970452 -10.820141 14.019604 1 2149 1 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 0 3.654487 -9.941655 12.433632 1 2150 1 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 0 2.841803 -10.970982 12.864998 1 2151 1 +ATOM N N . SER B0 2 61 . 61 SER B0 N 0 5.2503285 -5.0821366 16.189358 1 2152 1 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 0 5.377737 -3.682108 16.57654 1 2153 1 +ATOM C C . SER B0 2 61 . 61 SER B0 C 0 6.02184 -2.8942368 15.442772 1 2154 1 +ATOM O O . SER B0 2 61 . 61 SER B0 O 0 6.7826242 -3.4373512 14.645365 1 2155 1 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 0 6.1948233 -3.5232546 17.86179 1 2156 1 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 0 7.5331545 -3.9230013 17.670246 1 2157 1 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 0 5.6763954 -1.6171997 15.357107 1 2158 1 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 0 6.250039 -0.72224617 14.366062 1 2159 1 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 0 6.889817 0.47703528 15.033194 1 2160 1 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 0 6.473097 0.90386194 16.108751 1 2161 1 +ATOM N N . SER B0 2 63 . 63 SER B0 N 0 7.9100866 1.0246696 14.395742 1 2162 1 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 0 8.597613 2.192739 14.927518 1 2163 1 +ATOM C C . SER B0 2 63 . 63 SER B0 C 0 9.174639 3.008791 13.778391 1 2164 1 +ATOM O O . SER B0 2 63 . 63 SER B0 O 0 9.216282 2.5534425 12.633236 1 2165 1 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 0 9.701816 1.7953858 15.90872 1 2166 1 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 0 10.721966 1.0803468 15.2561655 1 2167 1 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 0 9.616131 4.228828 14.109596 1 2168 1 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 0 10.239662 5.0918083 13.123024 1 2169 1 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 0 9.503771 6.404019 12.966706 1 2170 1 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 0 8.404301 6.5909605 13.471897 1 2171 1 +ATOM N N . SER B0 2 65 . 65 SER B0 N 0 10.129074 7.3043222 12.236326 1 2172 1 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 0 9.550865 8.608959 11.947144 1 2173 1 +ATOM C C . SER B0 2 65 . 65 SER B0 C 0 10.30913 9.235094 10.787221 1 2174 1 +ATOM O O . SER B0 2 65 . 65 SER B0 O 0 11.502105 8.995695 10.620422 1 2175 1 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 0 9.605975 9.518634 13.169687 1 2176 1 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 0 9.032527 10.78396 12.910049 1 2177 1 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 0 9.59525 10.03488 9.990814 1 2178 1 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 0 10.246365 10.756647 8.917685 1 2179 1 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 0 10.458439 9.92267 7.669238 1 2180 1 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 0 9.562115 9.8034725 6.8306494 1 2181 1 +ATOM N N . THR B0 2 67 . 67 THR B0 N 0 11.6466055 9.316309 7.549826 1 2182 1 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 0 11.990135 8.558047 6.3576417 1 2183 1 +ATOM C C . THR B0 2 67 . 67 THR B0 C 0 12.401797 7.115867 6.640046 1 2184 1 +ATOM O O . THR B0 2 67 . 67 THR B0 O 0 12.61079 6.3495417 5.690019 1 2185 1 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 0 13.136265 9.236283 5.5798497 1 2186 1 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 0 14.294957 9.32832 6.415331 1 2187 1 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 0 12.741627 10.64139 5.1113605 1 2188 1 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 0 12.528332 6.718581 7.914485 1 2189 1 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 0 13.064859 5.4081354 8.259098 1 2190 1 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 0 12.115065 4.69013 9.216587 1 2191 1 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 0 11.87191 5.1829967 10.325265 1 2192 1 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 0 14.451838 5.5694733 8.900404 1 2193 1 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 0 15.226311 4.2665443 8.9704 1 2194 1 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 0 16.335432 4.28739 9.5443 1 2195 1 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 0 14.729332 3.2260711 8.462432 1 2196 1 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 0 11.598693 3.537721 8.799656 1 2197 1 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 0 10.596532 2.8221354 9.582779 1 2198 1 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 0 10.952747 1.3382944 9.673645 1 2199 1 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 0 11.592548 0.7906492 8.775871 1 2200 1 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 0 9.20854 2.9881668 8.951052 1 2201 1 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 0 8.806343 4.4219007 8.776825 1 2202 1 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 0 9.126764 5.110056 7.6114125 1 2203 1 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 0 8.1304655 5.088469 9.781863 1 2204 1 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 0 8.7793045 6.4398046 7.459651 1 2205 1 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 0 7.776057 6.4198313 9.630776 1 2206 1 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 0 8.099512 7.096406 8.464127 1 2207 1 +ATOM N N . THR B0 2 70 . 70 THR B0 N 0 10.513302 0.69556 10.760771 1 2208 1 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 0 10.767254 -0.72503746 10.933598 1 2209 1 +ATOM C C . THR B0 2 70 . 70 THR B0 C 0 9.523441 -1.4453933 11.448849 1 2210 1 +ATOM O O . THR B0 2 70 . 70 THR B0 O 0 8.733217 -0.88590235 12.208738 1 2211 1 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 0 11.92938 -0.9926193 11.908279 1 2212 1 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 0 11.60543 -0.4685462 13.192463 1 2213 1 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 0 13.227585 -0.3808007 11.407926 1 2214 1 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 0 9.376168 -2.6921449 10.999714 1 2215 1 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 0 8.406043 -3.6335478 11.549982 1 2216 1 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 0 9.19137 -4.7183805 12.269184 1 2217 1 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 0 10.144572 -5.2691736 11.706684 1 2218 1 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 0 7.5512056 -4.253747 10.440688 1 2219 1 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 0 6.5917115 -5.375171 10.883389 1 2220 1 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 0 6.074685 -6.1435885 9.66983 1 2221 1 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 0 5.4431057 -4.814359 11.705152 1 2222 1 +ATOM N N . THR B0 2 72 . 72 THR B0 N 0 8.818003 -5.005397 13.514633 1 2223 1 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 0 9.5100155 -6.021894 14.288958 1 2224 1 +ATOM C C . THR B0 2 72 . 72 THR B0 C 0 8.526507 -7.1073003 14.725666 1 2225 1 +ATOM O O . THR B0 2 72 . 72 THR B0 O 0 7.427273 -6.8014765 15.185937 1 2226 1 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 0 10.188211 -5.4087787 15.529171 1 2227 1 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 0 11.164843 -4.449521 15.112548 1 2228 1 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 0 10.875847 -6.4822483 16.368732 1 2229 1 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 0 8.919166 -8.366013 14.542421 1 2230 1 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 0 8.203962 -9.501448 15.1101465 1 2231 1 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 0 9.120548 -10.05714 16.194061 1 2232 1 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 0 10.180282 -10.604177 15.894437 1 2233 1 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 0 7.891417 -10.581366 14.051619 1 2234 1 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 0 7.2945647 -9.946737 12.793384 1 2235 1 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 0 6.9415445 -11.622494 14.640376 1 2236 1 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 0 7.0954213 -10.922105 11.638334 1 2237 1 +ATOM N N . SER B0 2 74 . 74 SER B0 N 0 8.725817 -9.889975 17.451826 1 2238 1 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 0 9.61128 -10.191501 18.57578 1 2239 1 +ATOM C C . SER B0 2 74 . 74 SER B0 C 0 9.905528 -11.678953 18.729042 1 2240 1 +ATOM O O . SER B0 2 74 . 74 SER B0 O 0 11.004432 -12.044655 19.15659 1 2241 1 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 0 9.011782 -9.653036 19.872902 1 2242 1 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 0 7.7807236 -10.291554 20.152546 1 2243 1 +ATOM N N . SER B0 2 75 . 75 SER B0 N 0 8.956903 -12.537949 18.397999 1 2244 1 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 0 9.126633 -13.989834 18.513718 1 2245 1 +ATOM C C . SER B0 2 75 . 75 SER B0 C 0 8.316431 -14.653662 17.40465 1 2246 1 +ATOM O O . SER B0 2 75 . 75 SER B0 O 0 7.1060123 -14.840237 17.538671 1 2247 1 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 0 8.684824 -14.484999 19.892124 1 2248 1 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 0 8.914303 -15.886726 20.02829 1 2249 1 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 0 8.993933 -14.986753 16.31528 1 2250 1 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 0 8.3323 -15.490578 15.110161 1 2251 1 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 0 7.54749 -16.766542 15.392847 1 2252 1 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 0 8.057538 -17.687206 16.043356 1 2253 1 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 0 9.378338 -15.734522 14.021622 1 2254 1 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 0 8.908169 -15.781433 12.571625 1 2255 1 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 0 10.076227 -16.205925 11.695416 1 2256 1 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 0 8.364601 -14.431671 12.135907 1 2257 1 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 0 6.311431 -16.802883 14.909429 1 2258 1 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 0 5.4500723 -17.966171 15.053616 1 2259 1 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 0 5.21801 -18.599503 13.687548 1 2260 1 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 0 5.427114 -17.956253 12.654961 1 2261 1 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 0 4.1138163 -17.573105 15.696829 1 2262 1 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 0 4.2608995 -16.963753 17.084002 1 2263 1 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 0 4.948413 -17.910275 18.051266 1 2264 1 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 0 4.515936 -19.03734 18.238901 1 2265 1 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 0 6.038172 -17.457455 18.64892 1 2266 1 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 0 4.7868214 -19.889994 13.647522 1 2267 1 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 0 4.605915 -20.552711 12.354036 1 2268 1 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 0 3.6763215 -19.797838 11.408751 1 2269 1 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 0 3.9179897 -19.771975 10.198412 1 2270 1 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 0 4.020128 -21.912931 12.748308 1 2271 1 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 0 4.569845 -22.174515 14.106525 1 2272 1 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 0 4.590473 -20.824017 14.772667 1 2273 1 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 0 2.632073 -19.151949 11.941795 1 2274 1 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 0 1.6847725 -18.443819 11.098125 1 2275 1 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 0 2.2119505 -17.097176 10.603627 1 2276 1 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 0 1.5364866 -16.420107 9.820347 1 2277 1 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 0 0.355889 -18.235218 11.844886 1 2278 1 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 0 0.46473682 -17.357662 13.095395 1 2279 1 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 0 0.67197955 -18.167356 14.357877 1 2280 1 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 0 1.2868189 -19.259312 14.297611 1 2281 1 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 0 0.23174715 -17.707077 15.432844 1 2282 1 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 0 3.4087124 -16.690163 11.040736 1 2283 1 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 0 3.9867935 -15.413241 10.638453 1 2284 1 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 0 4.8033752 -15.497856 9.357109 1 2285 1 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 0 5.242662 -14.4559555 8.854523 1 2286 1 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 0 4.8759537 -14.846497 11.758678 1 2287 1 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 0 4.1192207 -14.616842 13.046341 1 2288 1 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 0 2.8720865 -14.489036 12.999695 1 2289 1 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 0 4.76635 -14.567596 14.114124 1 2290 1 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 0 5.0278807 -16.692053 8.8298645 1 2291 1 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 0 5.753879 -16.822483 7.576312 1 2292 1 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 0 4.833109 -16.38797 6.436075 1 2293 1 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 0 3.832016 -17.033241 6.1648936 1 2294 1 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 0 6.2745004 -18.244625 7.4078045 1 2295 1 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 0 7.3414197 -18.582796 8.405891 1 2296 1 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 0 7.0352483 -19.311386 9.55006 1 2297 1 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 0 8.641347 -18.14673 8.215062 1 2298 1 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 0 8.013922 -19.599323 10.484723 1 2299 1 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 0 9.623676 -18.436995 9.152478 1 2300 1 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 0 9.310534 -19.167313 10.291058 1 2301 1 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 0 5.193521 -15.268116 5.823143 1 2302 1 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 0 4.3273306 -14.571669 4.8716874 1 2303 1 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 0 5.137844 -13.462164 4.2219057 1 2304 1 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 0 6.3258767 -13.308096 4.498008 1 2305 1 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 0 3.1054976 -13.992109 5.59065 1 2306 1 +ATOM N N . THR B0 2 83 . 83 THR B0 N 0 4.478584 -12.690188 3.3558424 1 2307 1 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 0 5.0994015 -11.510923 2.7682996 1 2308 1 +ATOM C C . THR B0 2 83 . 83 THR B0 C 0 4.5481167 -10.264377 3.4586663 1 2309 1 +ATOM O O . THR B0 2 83 . 83 THR B0 O 0 3.3437347 -10.168229 3.7137594 1 2310 1 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 0 4.836075 -11.439471 1.2518167 1 2311 1 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 0 5.376806 -12.623214 0.631785 1 2312 1 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 0 5.4911838 -10.212004 0.62797916 1 2313 1 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 0 5.429891 -9.324019 3.776741 1 2314 1 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 0 5.0654306 -8.104671 4.489397 1 2315 1 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 0 5.3130627 -6.8844395 3.6133795 1 2316 1 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 0 6.344948 -6.7911572 2.9390907 1 2317 1 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 0 5.8468385 -7.9973583 5.807042 1 2318 1 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 0 5.4918823 -9.102893 6.7722626 1 2319 1 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 0 6.0985007 -10.350996 6.690679 1 2320 1 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 0 4.5127325 -8.910476 7.7363043 1 2321 1 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 0 5.7418127 -11.382826 7.547903 1 2322 1 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 0 4.150568 -9.932314 8.603056 1 2323 1 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 0 4.7690907 -11.166007 8.502305 1 2324 1 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 0 4.4094095 -12.178932 9.345539 1 2325 1 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 0 4.3410597 -5.957831 3.6160755 1 2326 1 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 0 4.4205217 -4.7393866 2.8200896 1 2327 1 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 0 4.24508 -3.502509 3.6919518 1 2328 1 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 0 3.3981848 -3.4890034 4.5947113 1 2329 1 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 0 3.316612 -4.707749 1.7542324 1 2330 1 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 0 3.4229658 -5.76472 0.685588 1 2331 1 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 0 2.737772 -6.9704704 0.79979366 1 2332 1 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 0 4.191061 -5.5538588 -0.45241523 1 2333 1 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 0 2.8279147 -7.9391365 -0.18583962 1 2334 1 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 0 4.2817926 -6.5190535 -1.444415 1 2335 1 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 0 3.5962071 -7.705947 -1.3065414 1 2336 1 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 0 3.6821632 -8.657459 -2.2729473 1 2337 1 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 0 5.039221 -2.466909 3.4358706 1 2338 1 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 0 4.7739506 -1.1544031 4.0038724 1 2339 1 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 0 4.0028114 -0.32364985 2.9897888 1 2340 1 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 0 4.001335 -0.6235725 1.792917 1 2341 1 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 0 6.065886 -0.44565296 4.422492 1 2342 1 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 0 7.266633 -0.19710195 3.1203923 1 2343 1 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 0 3.3077261 0.7033602 3.4644182 1 2344 1 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 0 2.4929814 1.5557333 2.604836 1 2345 1 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 0 2.4697611 2.9700105 3.1653159 1 2346 1 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 0 2.312146 3.152316 4.370942 1 2347 1 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 0 1.0672708 1.0135462 2.4964032 1 2348 1 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 0 0.088994205 1.944237 1.7660396 1 2349 1 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 0 -0.94487333 2.5444477 2.7004395 1 2350 1 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 0 -1.7191389 1.8257328 3.3227925 1 2351 1 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 0 -0.9509514 3.865916 2.8149557 1 2352 1 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 0 2.656438 3.951104 2.2795725 1 2353 1 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 0 2.560279 5.346573 2.6839569 1 2354 1 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 0 1.3554575 5.9965553 2.0205717 1 2355 1 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 0 0.9571611 5.6145005 0.9225882 1 2356 1 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 0 3.8251834 6.131514 2.3214326 1 2357 1 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 0 4.003141 6.3515644 0.821596 1 2358 1 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 0 5.0960264 7.3551354 0.4913416 1 2359 1 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 0 5.261543 8.3524685 1.1866412 1 2360 1 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 0 5.8509517 7.0734444 -0.5641724 1 2361 1 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 0 0.7841994 6.9812117 2.6980271 1 2362 1 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 0 -0.23523395 7.871914 2.1425004 1 2363 1 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 0 0.3786247 9.264033 2.0884094 1 2364 1 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 0 0.79070807 9.791413 3.122123 1 2365 1 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 0 -1.4851941 7.8633494 3.0249958 1 2366 1 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 0 -2.5408874 8.84457 2.600777 1 2367 1 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 0 -3.0226293 9.783905 3.497931 1 2368 1 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 0 -3.06137 8.821619 1.3244855 1 2369 1 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 0 -4.0051975 10.688517 3.1176896 1 2370 1 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 0 -4.0420194 9.721079 0.9398806 1 2371 1 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 0 -4.516198 10.65748 1.8365054 1 2372 1 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 0 0.49165517 9.831715 0.8889011 1 2373 1 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 0 1.2223628 11.0798645 0.6794745 1 2374 1 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 0 0.3140563 12.3022785 0.53035456 1 2375 1 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 0 0.6429199 13.235239 -0.21384907 1 2376 1 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 0 2.1318495 10.941642 -0.54017055 1 2377 1 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 0 3.259945 11.953468 -0.53854275 1 2378 1 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 0 3.6445017 12.461575 0.5123409 1 2379 1 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 0 3.809731 12.230007 -1.7060634 1 2380 1 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 0 -0.79918504 12.351782 1.246279 1 2381 1 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 0 -1.6367767 13.53714 1.3011878 1 2382 1 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 0 -2.5845942 13.699087 0.12321165 1 2383 1 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 0 -2.716155 12.811068 -0.7191994 1 2384 1 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 0 -3.2511044 14.877085 0.06269027 1 2385 1 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 0 -4.2056623 15.160329 -0.99942553 1 2386 1 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 0 -3.56452 15.989676 -2.1098814 1 2387 1 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 0 -2.7805064 16.901731 -1.8223373 1 2388 1 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 0 -5.4281607 15.90316 -0.43859768 1 2389 1 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 0 -6.3232646 15.025872 0.39923346 1 2390 1 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 0 -6.2080564 14.997664 1.7784228 1 2391 1 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 0 -7.2932196 14.215195 -0.19698554 1 2392 1 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 0 -7.0257864 14.19109 2.547958 1 2393 1 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 0 -8.109566 13.40796 0.55802 1 2394 1 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 0 -7.984267 13.392294 1.9338899 1 2395 1 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 0 -8.794416 12.591101 2.694387 1 2396 1 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 0 -3.9203663 15.714819 -3.3902287 1 2397 1 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 0 -4.803948 14.605921 -3.772047 1 2398 1 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 0 -4.200366 13.261164 -3.3899913 1 2399 1 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 0 -2.9776554 13.133287 -3.2683835 1 2400 1 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 0 -4.9065623 14.746721 -5.2944407 1 2401 1 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 0 -3.6370418 15.407949 -5.674361 1 2402 1 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 0 -3.3319645 16.375156 -4.550157 1 2403 1 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 0 -5.0693226 12.260674 -3.1719599 1 2404 1 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 0 -4.6184897 10.953789 -2.7008443 1 2405 1 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 0 -3.472456 10.413696 -3.547431 1 2406 1 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 0 -3.5679383 10.340673 -4.7793336 1 2407 1 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 0 -5.780281 9.949879 -2.728177 1 2408 1 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 0 -6.785649 10.156926 -1.6367195 1 2409 1 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 0 -7.5833015 11.280455 -1.5635695 1 2410 1 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 0 -7.133336 9.378222 -0.58829796 1 2411 1 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 0 -8.375833 11.177587 -0.5045367 1 2412 1 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 0 -8.119516 10.040174 0.10203028 1 2413 1 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 0 -2.390059 10.044889 -2.888295 1 2414 1 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 0 -1.2562475 9.389965 -3.5123863 1 2415 1 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 0 -0.7461641 8.325125 -2.5614977 1 2416 1 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 0 -0.28352004 8.639239 -1.4569498 1 2417 1 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 0 -0.14333448 10.386456 -3.8422008 1 2418 1 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 0 -0.5210903 11.439457 -4.8975525 1 2419 1 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 0 -0.6322374 10.835171 -6.2917824 1 2420 1 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 0 -0.8355969 11.844594 -7.3261356 1 2421 1 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 0 -2.0253568 12.293425 -7.7225614 1 2422 1 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 0 -3.139576 11.833899 -7.146535 1 2423 1 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 0 -2.1179504 13.207178 -8.65394 1 2424 1 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 0 -0.8477906 7.06969 -2.969729 1 2425 1 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 0 -0.4665922 5.932088 -2.1511278 1 2426 1 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 0 0.6159872 5.119029 -2.8547058 1 2427 1 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 0 0.56553966 4.942823 -4.0769596 1 2428 1 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 0 -1.6757783 5.02083 -1.9012909 1 2429 1 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 0 -2.8514256 5.6181426 -1.1290381 1 2430 1 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 0 -4.1460648 4.9375887 -1.5202475 1 2431 1 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 0 -2.614097 5.5027103 0.36253756 1 2432 1 +ATOM N N . THR B0 2 97 . 97 THR B0 N 0 1.5745158 4.6223626 -2.0842545 1 2433 1 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 0 2.5771134 3.7152076 -2.6362357 1 2434 1 +ATOM C C . THR B0 2 97 . 97 THR B0 C 0 2.8655052 2.6003354 -1.6348338 1 2435 1 +ATOM O O . THR B0 2 97 . 97 THR B0 O 0 2.8252094 2.8170967 -0.41969424 1 2436 1 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 0 3.903234 4.4279103 -2.9877796 1 2437 1 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 0 4.404151 5.1230702 -1.8487456 1 2438 1 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 0 3.7091436 5.40888 -4.1464844 1 2439 1 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 0 3.1375065 1.4034896 -2.1689286 1 2440 1 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 0 3.5377889 0.2602195 -1.3601921 1 2441 1 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 0 5.0202065 -0.01842286 -1.5578389 1 2442 1 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 0 5.58109 0.24716443 -2.623462 1 2443 1 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 0 2.7472925 -0.9962796 -1.7636315 1 2444 1 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 0 1.292992 -0.96097195 -1.4238904 1 2445 1 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 0 0.36727238 -0.51334393 -2.3538225 1 2446 1 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 0 0.8436539 -1.390821 -0.19195676 1 2447 1 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 0 -0.98298806 -0.4865186 -2.0436382 1 2448 1 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 0 -0.50096935 -1.3680203 0.12499343 1 2449 1 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 0 -1.4166707 -0.9191836 -0.80783844 1 2450 1 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 0 5.649318 -0.5747077 -0.507152 1 2451 1 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 0 7.0028124 -1.0833175 -0.6604821 1 2452 1 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 0 6.991351 -2.3567307 -1.4938519 1 2453 1 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 0 5.9428234 -2.9316423 -1.7825296 1 2454 1 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 0 8.166735 -2.8152518 -1.877451 1 2455 1 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 0 8.29085 -3.9876442 -2.7303805 1 2456 1 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 0 8.012782 -5.3057013 -2.056691 1 2457 1 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 0 7.8855486 -6.331028 -2.7277868 1 2458 1 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 0 7.90952 -5.3061414 -0.7430942 1 2459 1 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 0 7.6011696 -6.5143423 0.0065295133 1 2460 1 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 0 8.827401 -7.225477 0.55076045 1 2461 1 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 0 9.925344 -7.1143503 -0.0086625535 1 2462 1 +ATOM N N . THR B0 2 102 . 102 THR B0 N 0 8.632946 -7.9205384 1.6658462 1 2463 1 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 0 9.650015 -8.7660885 2.267898 1 2464 1 +ATOM C C . THR B0 2 102 . 102 THR B0 C 0 9.0226345 -10.133048 2.539007 1 2465 1 +ATOM O O . THR B0 2 102 . 102 THR B0 O 0 8.048936 -10.229684 3.2874465 1 2466 1 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 0 10.18444 -8.179996 3.5875874 1 2467 1 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 0 10.850839 -6.9388223 3.3292117 1 2468 1 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 0 11.15767 -9.150383 4.2602215 1 2469 1 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 0 9.569351 -11.182776 1.9158463 1 2470 1 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 0 9.058416 -12.525167 2.123011 1 2471 1 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 0 9.839991 -13.197572 3.2459648 1 2472 1 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 0 11.059755 -13.360237 3.1491117 1 2473 1 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 0 9.155411 -13.352391 0.8345523 1 2474 1 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 0 8.448483 -14.700967 0.9402174 1 2475 1 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 0 8.426212 -15.415955 -0.40643913 1 2476 1 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 0 7.628816 -16.714054 -0.30949852 1 2477 1 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 0 7.5783896 -17.409187 -1.604379 1 2478 1 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 0 9.131219 -13.556297 4.319022 1 2479 1 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 0 9.74714 -14.234605 5.455137 1 2480 1 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 0 9.490753 -15.723926 5.297758 1 2481 1 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 0 8.340295 -16.171097 5.3297186 1 2482 1 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 0 9.184931 -13.722755 6.792434 1 2483 1 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 0 9.838451 -14.459246 7.9512057 1 2484 1 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 0 9.400007 -12.2122135 6.9159384 1 2485 1 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 0 10.563801 -16.486431 5.124376 1 2486 1 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 0 10.4769335 -17.920563 4.88326 1 2487 1 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 0 11.092487 -18.710548 6.0342293 1 2488 1 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 0 11.839741 -18.162075 6.849152 1 2489 1 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 0 11.166948 -18.283855 3.566433 1 2490 1 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 0 10.557843 -17.59284 2.3608692 1 2491 1 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 0 11.122271 -18.082636 1.047226 1 2492 1 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 0 10.358586 -18.624119 0.2284744 1 2493 1 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 0 12.346512 -17.93047 0.84165466 1 2494 1 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 0 10.763237 -20.006714 6.0917616 1 2495 1 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 0 11.219614 -20.864037 7.1781087 1 2496 1 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 0 12.663802 -21.299335 6.930313 1 2497 1 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 0 12.98657 -21.805138 5.8556843 1 2498 1 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 0 10.322881 -22.106415 7.3120427 1 2499 1 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 0 8.854685 -21.69112 7.4924383 1 2500 1 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 0 10.793173 -22.983585 8.472603 1 2501 1 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 0 7.8640585 -22.836746 7.346614 1 2502 1 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 0 13.506462 -21.111145 7.9329996 1 2503 1 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 0 14.8912735 -21.558334 7.847807 1 2504 1 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 0 14.992939 -23.002502 8.328979 1 2505 1 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 0 14.380003 -23.372017 9.33673 1 2506 1 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 0 15.807493 -20.660267 8.689852 1 2507 1 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 0 17.281698 -21.031784 8.600637 1 2508 1 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 0 18.143826 -20.132877 9.475865 1 2509 1 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 0 18.180243 -18.702621 8.953768 1 2510 1 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 0 19.065916 -17.83534 9.77495 1 2511 1 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 0 15.74556 -23.797707 7.614174 1 2512 1 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 0 16.019077 -25.172806 8.001015 1 2513 1 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 0 17.42242 -25.541683 7.5420036 1 2514 1 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 0 18.097168 -24.720943 6.9069433 1 2515 1 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 0 14.9831505 -26.142416 7.4064226 1 2516 1 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 0 14.897349 -26.13924 5.8824816 1 2517 1 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 0 14.48997 -27.504562 5.356541 1 2518 1 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 0 15.589327 -28.460846 5.4863763 1 2519 1 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 0 15.453575 -29.769733 5.566742 1 2520 1 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 0 14.245415 -30.311203 5.525409 1 2521 1 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 0 16.526308 -30.542042 5.6785116 1 2522 1 +ATOM N N . THR B0 2 109 . 109 THR B0 N 0 17.869097 -26.744114 7.8419642 1 2523 1 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 0 19.19685 -27.179607 7.430064 1 2524 1 +ATOM C C . THR B0 2 109 . 109 THR B0 C 0 19.247517 -27.367977 5.9177675 1 2525 1 +ATOM O O . THR B0 2 109 . 109 THR B0 O 0 18.231163 -27.659508 5.2767553 1 2526 1 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 0 19.591951 -28.491177 8.1256695 1 2527 1 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 0 18.625456 -29.50496 7.8215427 1 2528 1 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 0 19.682497 -28.309196 9.642471 1 2529 1 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 0 20.437412 -27.17892 5.3660674 1 2530 1 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 0 20.619013 -27.340897 3.9274507 1 2531 1 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 0 20.299427 -28.778559 3.5299754 1 2532 1 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 0 20.70342 -29.72556 4.212558 1 2533 1 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 0 22.05658 -26.967335 3.5011396 1 2534 1 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 0 22.280788 -27.265245 2.0274243 1 2535 1 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 0 22.334873 -25.502216 3.8010664 1 2536 1 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 0 19.566647 -28.934464 2.4439497 1 2537 1 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 0 19.213726 -30.252583 1.9223032 1 2538 1 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 0 19.440048 -30.254215 0.41408116 1 2539 1 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 0 18.860191 -29.433636 -0.30155537 1 2540 1 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 0 17.766376 -30.599527 2.247112 1 2541 1 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 0 20.294764 -31.159826 -0.047974095 1 2542 1 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 0 20.56984 -31.260977 -1.4757166 1 2543 1 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 0 19.384089 -31.89056 -2.2093596 1 2544 1 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 0 18.698254 -32.751892 -1.6562622 1 2545 1 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 0 21.833832 -32.08713 -1.7169421 1 2546 1 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 0 19.133425 -31.469723 -3.4556403 1 2547 1 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 0 18.01471 -32.053036 -4.194685 1 2548 1 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 0 18.325748 -33.45961 -4.692449 1 2549 1 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 0 19.472387 -33.77478 -5.021708 1 2550 1 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 0 17.826777 -31.09697 -5.378191 1 2551 1 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 0 19.19246 -30.552828 -5.6175327 1 2552 1 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 0 19.813725 -30.408676 -4.2377934 1 2553 1 +ATOM N N . SER B0 2 114 . 114 SER B0 N 0 17.300404 -34.29749 -4.727607 1 2554 1 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 0 17.37214 -35.549847 -5.4798365 1 2555 1 +ATOM C C . SER B0 2 114 . 114 SER B0 C 0 16.96864 -35.19934 -6.9034734 1 2556 1 +ATOM O O . SER B0 2 114 . 114 SER B0 O 0 15.923654 -34.56108 -7.113798 1 2557 1 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 0 16.429996 -36.59796 -4.888539 1 2558 1 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 0 16.767937 -36.89696 -3.5336456 1 2559 1 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 0 17.788998 -35.58332 -7.8760114 1 2560 1 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 0 17.579197 -35.171688 -9.261548 1 2561 1 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 0 17.116886 -36.356575 -10.1019535 1 2562 1 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 0 17.696442 -37.443195 -10.043341 1 2563 1 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 0 18.861332 -34.552986 -9.86529 1 2564 1 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 0 18.591255 -34.025013 -11.26889 1 2565 1 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 0 19.39088 -33.43824 -8.966043 1 2566 1 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 0 16.057505 -36.1285 -10.892622 1 2567 1 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 0 15.503194 -37.140427 -11.778537 1 2568 1 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 0 15.271041 -36.521034 -13.147652 1 2569 1 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 0 14.962804 -35.325645 -13.24543 1 2570 1 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 0 14.172526 -37.68351 -11.240261 1 2571 1 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 0 14.23119 -38.17078 -9.818802 1 2572 1 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 0 13.929733 -37.31666 -8.76987 1 2573 1 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 0 14.57663 -39.480015 -9.540258 1 2574 1 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 0 13.979417 -37.7599 -7.45697 1 2575 1 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 0 14.625759 -39.931763 -8.230982 1 2576 1 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 0 14.324768 -39.069138 -7.187763 1 2577 1 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 0 15.4167 -37.335358 -14.213243 1 2578 1 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 0 15.1455345 -36.84277 -15.562542 1 2579 1 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 0 14.171967 -37.794975 -16.249239 1 2580 1 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 0 14.248972 -39.016327 -16.085999 1 2581 1 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 0 16.44236 -36.676018 -16.394382 1 2582 1 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 0 16.153608 -35.949005 -17.71339 1 2583 1 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 0 17.128654 -38.019287 -16.619877 1 2584 1 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 0 17.41661 -35.485897 -18.451504 1 2585 1 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 0 13.213505 -37.220024 -17.000149 1 2586 1 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 0 12.190368 -38.005867 -17.680744 1 2587 1 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 0 12.2143345 -37.71385 -19.174093 1 2588 1 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 0 12.038182 -36.55307 -19.577381 1 2589 1 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 0 10.79585 -37.678368 -17.137121 1 2590 1 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 0 10.619377 -37.954784 -15.67234 1 2591 1 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 0 10.826231 -36.956573 -14.734375 1 2592 1 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 0 10.239601 -39.21099 -15.249119 1 2593 1 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 0 10.656324 -37.21381 -13.385056 1 2594 1 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 0 10.070606 -39.472816 -13.903421 1 2595 1 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 0 10.278504 -38.473396 -12.966463 1 2596 1 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 0 12.421665 -38.748978 -20.02602 1 2597 1 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 0 12.329615 -38.521828 -21.471865 1 2598 1 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 0 10.8832 -38.259865 -21.889261 1 2599 1 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 0 9.956983 -38.579544 -21.141165 1 2600 1 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 0 12.8485775 -39.836437 -22.065922 1 2601 1 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 0 13.502173 -40.56215 -20.931107 1 2602 1 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 0 12.788342 -40.095577 -19.693892 1 2603 1 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 0 10.680117 -37.68986 -23.08542 1 2604 1 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 0 9.301703 -37.52594 -23.557076 1 2605 1 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 0 8.655664 -38.888138 -23.781464 1 2606 1 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 0 9.329476 -39.854828 -24.146824 1 2607 1 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 0 9.460209 -36.75213 -24.877132 1 2608 1 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 0 10.851849 -37.031918 -25.314758 1 2609 1 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 0 11.655306 -37.16018 -24.049526 1 2610 1 +ATOM N N . SER B0 2 121 . 121 SER B0 N 0 7.3575997 -38.949867 -23.554384 1 2611 1 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 0 6.634058 -40.20266 -23.758255 1 2612 1 +ATOM C C . SER B0 2 121 . 121 SER B0 C 0 6.4305058 -40.461037 -25.24514 1 2613 1 +ATOM O O . SER B0 2 121 . 121 SER B0 O 0 6.3824577 -39.52979 -26.05861 1 2614 1 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 0 5.276157 -40.15468 -23.050827 1 2615 1 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 0 4.439849 -39.17531 -23.65657 1 2616 1 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 0 6.310191 -41.73271 -25.586119 1 2617 1 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 0 5.9992313 -42.082573 -26.97223 1 2618 1 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 0 4.66578 -41.4706 -27.3908 1 2619 1 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 0 4.50574 -41.054382 -28.541214 1 2620 1 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 0 5.9525614 -43.59969 -27.142326 1 2621 1 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 0 7.3236113 -44.243767 -27.032284 1 2622 1 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 0 8.326784 -43.562206 -27.30742 1 2623 1 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 0 7.383208 -45.437958 -26.670502 1 2624 1 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 0 3.727955 -41.39183 -26.45726 1 2625 1 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 0 2.425063 -40.816887 -26.741316 1 2626 1 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 0 2.5574903 -39.348984 -27.153019 1 2627 1 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 0 1.9231461 -38.903908 -28.111961 1 2628 1 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 0 1.5043706 -40.948532 -25.523308 1 2629 1 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 0 0.108104676 -40.381973 -25.754734 1 2630 1 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 0 -0.7855272 -40.49132 -24.53788 1 2631 1 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 0 -0.35015842 -41.078606 -23.524384 1 2632 1 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 0 -1.9286828 -39.980515 -24.582048 1 2633 1 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 0 3.3964949 -38.59126 -26.4363 1 2634 1 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 0 3.5684197 -37.18479 -26.780159 1 2635 1 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 0 4.28289 -37.032158 -28.115585 1 2636 1 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 0 3.9340897 -36.15457 -28.904001 1 2637 1 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 0 4.3400197 -36.437515 -25.689167 1 2638 1 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 0 4.424059 -34.943253 -25.991077 1 2639 1 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 0 5.3241224 -34.169834 -25.059587 1 2640 1 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 0 6.242884 -34.73994 -24.466755 1 2641 1 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 0 5.0832515 -32.87333 -24.93722 1 2642 1 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 0 5.287323 -37.866554 -28.36295 1 2643 1 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 0 6.0390873 -37.762413 -29.60659 1 2644 1 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 0 5.136855 -37.934162 -30.824253 1 2645 1 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 0 5.369616 -37.30464 -31.86079 1 2646 1 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 0 7.1694956 -38.792885 -29.635277 1 2647 1 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 0 8.328759 -38.503498 -28.686882 1 2648 1 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 0 9.303581 -39.678894 -28.664192 1 2649 1 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 0 9.038296 -37.220665 -29.093475 1 2650 1 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 0 4.102686 -38.76893 -30.71037 1 2651 1 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 0 3.1624522 -38.94468 -31.809927 1 2652 1 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 0 2.4215746 -37.66012 -32.139496 1 2653 1 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 0 1.9437482 -37.48573 -33.261963 1 2654 1 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 0 2.152332 -40.050392 -31.478558 1 2655 1 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 0 2.758066 -41.43828 -31.391747 1 2656 1 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 0 1.6921681 -42.47225 -31.04518 1 2657 1 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 0 2.301594 -43.861977 -30.92728 1 2658 1 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 0 1.2850487 -44.88031 -30.560217 1 2659 1 +ATOM N N . SER B0 2 127 . 127 SER B0 N 0 2.350433 -36.72056 -31.158468 1 2660 1 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 0 1.6657243 -35.460182 -31.370632 1 2661 1 +ATOM C C . SER B0 2 127 . 127 SER B0 C 0 2.5730932 -34.392376 -31.971287 1 2662 1 +ATOM O O . SER B0 2 127 . 127 SER B0 O 0 2.099644 -33.29609 -32.29389 1 2663 1 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 0 1.0726634 -34.95542 -30.066174 1 2664 1 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 0 2.0860825 -34.523582 -29.180603 1 2665 1 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 0 3.8710406 -34.68965 -32.138695 1 2666 1 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 0 4.7895722 -33.77881 -32.790775 1 2667 1 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 0 5.633643 -32.915024 -31.884472 1 2668 1 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 0 6.392402 -32.070644 -32.379616 1 2669 1 +ATOM N N . THR B0 2 129 . 129 THR B0 N 0 5.5423126 -33.08811 -30.57182 1 2670 1 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 0 6.3225164 -32.296616 -29.621496 1 2671 1 +ATOM C C . THR B0 2 129 . 129 THR B0 C 0 7.000623 -33.20878 -28.613731 1 2672 1 +ATOM O O . THR B0 2 129 . 129 THR B0 O 0 6.4909945 -34.29629 -28.317757 1 2673 1 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 0 5.432619 -31.279846 -28.897106 1 2674 1 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 0 4.818176 -30.416058 -29.85831 1 2675 1 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 0 6.24885 -30.428307 -27.924702 1 2676 1 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 0 8.140713 -32.751225 -28.08781 1 2677 1 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 0 8.872221 -33.506485 -27.081924 1 2678 1 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 0 9.12607 -32.616646 -25.869411 1 2679 1 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 0 9.738194 -31.550125 -25.99841 1 2680 1 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 0 10.192554 -34.02083 -27.651157 1 2681 1 +ATOM N N . SER B0 2 131 . 131 SER B0 N 0 8.653727 -33.048965 -24.69165 1 2682 1 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 0 8.924978 -32.356037 -23.440334 1 2683 1 +ATOM C C . SER B0 2 131 . 131 SER B0 C 0 9.821323 -33.23787 -22.579884 1 2684 1 +ATOM O O . SER B0 2 131 . 131 SER B0 O 0 9.469091 -34.38301 -22.29255 1 2685 1 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 0 7.628316 -32.05127 -22.691446 1 2686 1 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 0 6.8021092 -31.15969 -23.414124 1 2687 1 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 0 10.978532 -32.696617 -22.212791 1 2688 1 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 0 11.897825 -33.3965 -21.330956 1 2689 1 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 0 11.808315 -32.718216 -19.971428 1 2690 1 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 0 11.915708 -31.483866 -19.88166 1 2691 1 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 0 13.349482 -33.35062 -21.856949 1 2692 1 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 0 14.211412 -34.345848 -21.108093 1 2693 1 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 0 13.392813 -33.629425 -23.368122 1 2694 1 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 0 11.606091 -33.505394 -18.918016 1 2695 1 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 0 11.374179 -32.94415 -17.59307 1 2696 1 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 0 12.509815 -33.327477 -16.646667 1 2697 1 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 0 12.890509 -34.498222 -16.560013 1 2698 1 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 0 10.024329 -33.403904 -17.015095 1 2699 1 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 0 9.845391 -32.880814 -15.591403 1 2700 1 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 0 8.880044 -32.92528 -17.908089 1 2701 1 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 0 13.033037 -32.30921 -15.942274 1 2702 1 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 0 14.025177 -32.518974 -14.897213 1 2703 1 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 0 13.390259 -32.150555 -13.567711 1 2704 1 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 0 12.8138895 -31.064945 -13.427837 1 2705 1 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 0 15.265601 -31.660435 -15.148825 1 2706 1 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 0 16.64276 -31.978954 -14.053916 1 2707 1 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 0 13.465554 -33.05407 -12.590149 1 2708 1 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 0 12.868912 -32.85584 -11.273764 1 2709 1 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 0 13.963525 -32.725838 -10.219057 1 2710 1 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 0 14.847345 -33.58577 -10.127134 1 2711 1 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 0 11.9466095 -34.02897 -10.928953 1 2712 1 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 0 11.465813 -34.11719 -9.469523 1 2713 1 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 0 10.742113 -35.440907 -9.234205 1 2714 1 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 0 10.5684185 -32.942047 -9.110576 1 2715 1 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 0 13.897876 -31.634354 -9.442461 1 2716 1 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 0 14.763346 -31.445866 -8.280537 1 2717 1 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 0 13.866201 -31.561726 -7.062476 1 2718 1 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 0 12.9925785 -30.710344 -6.8540196 1 2719 1 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 0 15.417383 -30.0626 -8.312429 1 2720 1 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 0 16.54615 -29.789059 -9.30337 1 2721 1 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 0 16.098446 -29.915813 -10.737913 1 2722 1 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 0 17.14521 -28.414047 -9.046072 1 2723 1 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 0 14.055279 -32.61521 -6.2797937 1 2724 1 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 0 13.1016 -32.926376 -5.223277 1 2725 1 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 0 13.647703 -32.6522 -3.8266544 1 2726 1 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 0 14.767206 -33.053703 -3.488315 1 2727 1 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 0 12.679914 -34.393932 -5.3220987 1 2728 1 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 0 11.302959 -34.653847 -4.7611904 1 2729 1 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 0 10.348152 -33.938076 -5.0857573 1 2730 1 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 0 11.175879 -35.67054 -3.9529953 1 2731 1 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 0 12.835358 -31.964039 -3.0146575 1 2732 1 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 0 13.012894 -31.795265 -1.5741634 1 2733 1 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 0 14.37956 -31.212519 -1.2208226 1 2734 1 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 0 15.20619 -31.85199 -0.56560445 1 2735 1 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 0 12.786467 -33.120384 -0.84891737 1 2736 1 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 0 11.371616 -33.62931 -1.0106008 1 2737 1 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 0 10.471241 -32.894966 -1.4105214 1 2738 1 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 0 11.153749 -34.902676 -0.6969976 1 2739 1 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 0 14.603048 -29.946865 -1.6023988 1 2740 1 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 0 15.863625 -29.276981 -1.3151292 1 2741 1 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 0 15.659924 -27.98057 -0.54036283 1 2742 1 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 0 14.548157 -27.46074 -0.45065206 1 2743 1 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 0 16.64996 -29.00056 -2.6019943 1 2744 1 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 0 15.920775 -28.129553 -3.5953002 1 2745 1 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 0 15.091969 -28.689718 -4.5587025 1 2746 1 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 0 16.091244 -26.753138 -3.577845 1 2747 1 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 0 14.43893 -27.877232 -5.4801393 1 2748 1 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 0 15.443301 -25.94651 -4.4947453 1 2749 1 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 0 14.616294 -26.508629 -5.448498 1 2750 1 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 0 16.730524 -27.478104 0.040066596 1 2751 1 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 0 16.77695 -26.205082 0.7611176 1 2752 1 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 0 18.213966 -25.728777 0.80099285 1 2753 1 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 0 19.113811 -26.51835 1.0425785 1 2754 1 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 0 16.220697 -26.346687 2.184247 1 2755 1 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 0 16.116066 -25.010696 2.8879447 1 2756 1 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 0 17.21716 -24.477034 3.5623875 1 2757 1 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 0 14.953634 -24.251925 2.8247657 1 2758 1 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 0 17.14663 -23.234295 4.159156 1 2759 1 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 0 14.879181 -23.00748 3.422165 1 2760 1 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 0 15.973872 -22.50207 4.0812325 1 2761 1 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 0 15.912228 -21.272451 4.6525774 1 2762 1 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 0 18.471024 -24.425611 0.57352424 1 2763 1 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 0 17.548365 -23.330656 0.2977697 1 2764 1 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 0 16.9846 -23.344685 -1.1179259 1 2765 1 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 0 17.320608 -24.21681 -1.9111829 1 2766 1 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 0 18.42434 -22.09141 0.52302814 1 2767 1 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 0 19.796246 -22.546919 0.18349844 1 2768 1 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 0 19.862411 -23.972406 0.665988 1 2769 1 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 0 16.115582 -22.38918 -1.4094982 1 2770 1 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 0 15.35849 -22.362694 -2.6509285 1 2771 1 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 0 16.227734 -22.138924 -3.8830333 1 2772 1 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 0 15.912637 -22.621256 -4.9714255 1 2773 1 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 0 14.284564 -21.275888 -2.5696106 1 2774 1 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 0 13.291567 -21.268482 -3.715784 1 2775 1 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 0 12.2478285 -20.200077 -3.4645743 1 2776 1 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 0 11.104017 -20.285583 -4.363172 1 2777 1 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 0 11.041889 -19.691914 -5.5491095 1 2778 1 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 0 12.067179 -18.968204 -5.978527 1 2779 1 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 0 9.963861 -19.82967 -6.3042803 1 2780 1 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 0 17.351059 -21.404213 -3.7068272 1 2781 1 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 0 18.213205 -21.057217 -4.8310184 1 2782 1 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 0 18.840694 -22.309296 -5.4367733 1 2783 1 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 0 19.517096 -23.067692 -4.747075 1 2784 1 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 0 19.309845 -20.084663 -4.3939714 1 2785 1 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 0 18.805695 -18.689896 -4.0496902 1 2786 1 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 0 18.063187 -18.617214 -2.7366614 1 2787 1 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 0 17.20085 -17.725342 -2.5926132 1 2788 1 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 0 18.327824 -19.448246 -1.8399501 1 2789 1 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 0 18.582941 -22.523815 -6.7067857 1 2790 1 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 0 19.13351 -23.665794 -7.441312 1 2791 1 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 0 19.279945 -23.269878 -8.896666 1 2792 1 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 0 18.533548 -22.43377 -9.402735 1 2793 1 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 0 18.24419 -24.897171 -7.315486 1 2794 1 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 0 20.275757 -23.869247 -9.5581665 1 2795 1 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 0 20.52079 -23.57887 -10.963311 1 2796 1 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 0 20.357306 -24.852448 -11.781037 1 2797 1 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 0 20.948261 -25.879574 -11.449931 1 2798 1 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 0 21.930279 -22.998209 -11.155716 1 2799 1 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 0 22.283297 -22.655745 -12.591805 1 2800 1 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 0 23.710659 -22.11318 -12.66767 1 2801 1 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 0 24.106735 -21.786287 -14.101324 1 2802 1 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 0 25.499897 -21.296051 -14.168411 1 2803 1 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 0 19.526695 -24.770672 -12.827673 1 2804 1 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 0 19.305717 -25.903046 -13.724432 1 2805 1 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 0 19.745365 -25.501308 -15.126833 1 2806 1 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 0 19.288868 -24.483047 -15.657601 1 2807 1 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 0 17.82529 -26.3359 -13.745351 1 2808 1 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 0 17.631557 -27.493954 -14.730443 1 2809 1 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 0 17.367844 -26.73867 -12.347826 1 2810 1 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 0 20.64376 -26.291466 -15.702589 1 2811 1 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 0 21.096426 -26.047611 -17.063969 1 2812 1 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 0 20.817163 -27.278997 -17.916466 1 2813 1 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 0 21.106743 -28.404783 -17.501186 1 2814 1 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 0 22.586376 -25.712486 -17.10347 1 2815 1 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 0 22.942131 -24.379225 -16.487228 1 2816 1 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 0 24.3858 -23.98362 -16.772076 1 2817 1 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 0 24.669338 -23.220276 -17.680477 1 2818 1 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 0 25.303154 -24.52982 -15.991031 1 2819 1 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 0 20.259182 -27.051079 -19.099613 1 2820 1 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 0 19.986458 -28.125206 -20.035637 1 2821 1 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 0 21.09948 -28.201828 -21.084839 1 2822 1 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 0 21.553818 -27.169735 -21.595148 1 2823 1 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 0 18.640657 -27.91005 -20.741684 1 2824 1 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 0 17.45258 -28.249275 -19.90739 1 2825 1 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 0 16.650047 -27.381088 -19.240353 1 2826 1 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 0 16.913656 -29.551115 -19.673153 1 2827 1 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 0 15.643909 -28.05762 -18.597588 1 2828 1 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 0 15.781206 -29.390806 -18.845272 1 2829 1 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 0 17.278988 -30.83804 -20.080208 1 2830 1 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 0 15.014093 -30.472767 -18.421484 1 2831 1 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 0 16.517595 -31.909634 -19.661797 1 2832 1 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 0 15.398838 -31.719446 -18.839317 1 2833 1 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 0 21.517227 -29.402424 -21.382818 1 2834 1 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 0 22.512875 -29.632595 -22.426971 1 2835 1 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 0 22.01289 -30.723255 -23.364628 1 2836 1 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 0 21.568914 -31.78029 -22.915264 1 2837 1 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 0 23.866993 -30.02171 -21.823677 1 2838 1 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 0 24.523687 -28.904276 -21.025082 1 2839 1 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 0 25.871895 -29.359373 -20.458797 1 2840 1 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 0 26.520546 -28.229286 -19.6753 1 2841 1 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 0 27.805145 -28.659485 -19.073341 1 2842 1 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 0 22.090057 -30.44816 -24.667927 1 2843 1 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 0 21.704767 -31.414991 -25.69644 1 2844 1 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 0 22.947906 -31.694168 -26.537083 1 2845 1 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 0 23.464735 -30.791542 -27.199924 1 2846 1 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 0 20.55783 -30.873795 -26.572308 1 2847 1 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 0 20.20816 -31.884289 -27.657066 1 2848 1 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 0 19.335052 -30.552288 -25.712355 1 2849 1 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 0 23.427856 -32.93933 -26.494183 1 2850 1 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 0 24.706295 -33.30389 -27.104485 1 2851 1 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 0 25.791656 -32.327503 -26.662086 1 2852 1 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 0 26.58586 -31.828365 -27.464375 1 2853 1 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 0 24.597797 -33.354034 -28.636284 1 2854 1 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 0 23.801197 -34.552605 -29.124428 1 2855 1 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 0 23.654642 -35.534466 -28.363869 1 2856 1 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 0 23.31092 -34.520363 -30.27509 1 2857 1 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 0 25.784628 -32.022324 -25.367393 1 2858 1 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 0 26.743118 -31.157394 -24.683182 1 2859 1 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 0 26.638042 -29.682903 -25.07198 1 2860 1 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 0 27.495842 -28.87683 -24.684196 1 2861 1 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 0 28.17633 -31.661167 -24.89185 1 2862 1 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 0 29.103088 -31.224571 -23.772507 1 2863 1 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 0 28.698227 -31.168556 -22.611204 1 2864 1 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 0 30.346775 -30.917437 -24.108839 1 2865 1 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 0 25.615158 -29.309933 -25.81565 1 2866 1 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 0 25.396154 -27.913235 -26.177383 1 2867 1 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 0 24.412605 -27.28643 -25.18385 1 2868 1 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 0 23.295418 -27.773909 -25.005898 1 2869 1 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 0 24.869852 -27.7944 -27.5966 1 2870 1 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 0 24.83114 -26.180908 -24.533386 1 2871 1 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 0 23.992662 -25.511395 -23.547771 1 2872 1 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 0 22.744385 -24.931604 -24.21023 1 2873 1 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 0 22.84108 -24.25632 -25.24788 1 2874 1 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 0 24.788555 -24.402254 -22.856743 1 2875 1 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 0 24.067333 -23.623512 -21.756855 1 2876 1 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 0 24.93738 -22.46532 -21.284325 1 2877 1 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 0 23.72512 -24.54567 -20.59349 1 2878 1 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 0 21.6058 -25.180693 -23.600874 1 2879 1 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 0 20.339504 -24.68781 -24.13428 1 2880 1 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 0 19.96008 -23.367474 -23.492752 1 2881 1 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 0 20.33871 -23.08388 -22.346792 1 2882 1 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 0 19.21912 -25.699238 -23.885883 1 2883 1 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 0 19.516874 -27.066153 -24.46416 1 2884 1 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 0 19.615976 -27.044296 -25.972647 1 2885 1 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 0 18.656086 -26.74363 -26.656612 1 2886 1 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 0 20.796772 -27.317448 -26.506344 1 2887 1 +ATOM N N . SER B0 2 156 . 156 SER B0 N 0 19.22353 -22.548725 -24.238083 1 2888 1 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 0 18.702051 -21.306717 -23.694685 1 2889 1 +ATOM C C . SER B0 2 156 . 156 SER B0 C 0 17.40646 -20.94197 -24.407959 1 2890 1 +ATOM O O . SER B0 2 156 . 156 SER B0 O 0 17.281345 -21.150635 -25.617962 1 2891 1 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 0 19.724655 -20.172363 -23.83028 1 2892 1 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 0 19.993565 -19.883 -25.182953 1 2893 1 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 0 16.453577 -20.420918 -23.657871 1 2894 1 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 0 15.2013855 -19.945826 -24.216095 1 2895 1 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 0 14.170893 -21.00531 -24.523521 1 2896 1 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 0 13.087578 -20.666977 -25.017136 1 2897 1 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 0 14.467943 -22.254856 -24.240757 1 2898 1 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 0 13.52318 -23.324066 -24.55943 1 2899 1 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 0 13.142948 -24.17369 -23.352417 1 2900 1 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 0 12.7120075 -25.32455 -23.514755 1 2901 1 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 0 14.0643425 -24.21386 -25.68827 1 2902 1 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 0 15.451296 -24.762363 -25.406773 1 2903 1 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 0 16.052816 -24.481934 -24.361988 1 2904 1 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 0 15.985985 -25.543182 -26.335545 1 2905 1 +ATOM N N . SER B0 2 159 . 159 SER B0 N 0 13.275184 -23.608858 -22.169529 1 2906 1 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 0 12.867037 -24.32201 -20.967945 1 2907 1 +ATOM C C . SER B0 2 159 . 159 SER B0 C 0 12.1527195 -23.384144 -20.008995 1 2908 1 +ATOM O O . SER B0 2 159 . 159 SER B0 O 0 12.34535 -22.160471 -20.054585 1 2909 1 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 0 14.073038 -24.971455 -20.27454 1 2910 1 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 0 14.996002 -24.001913 -19.831722 1 2911 1 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 0 11.318796 -23.95342 -19.162863 1 2912 1 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 0 10.6006365 -23.18997 -18.149485 1 2913 1 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 0 10.646215 -23.930862 -16.819752 1 2914 1 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 0 10.561033 -25.158842 -16.787998 1 2915 1 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 0 9.1428795 -22.957726 -18.559967 1 2916 1 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 0 8.975498 -22.003162 -19.723137 1 2917 1 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 0 7.5202584 -21.681072 -19.989761 1 2918 1 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 0 6.785121 -22.502964 -20.525127 1 2919 1 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 0 7.093417 -20.49126 -19.587181 1 2920 1 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 0 10.769241 -23.156132 -15.722288 1 2921 1 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 0 10.8342905 -23.725063 -14.382929 1 2922 1 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 0 9.582194 -23.393473 -13.578535 1 2923 1 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 0 8.934408 -22.376389 -13.803011 1 2924 1 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 0 12.053822 -23.184208 -13.62175 1 2925 1 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 0 13.38437 -23.681013 -14.145288 1 2926 1 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 0 14.555196 -23.198212 -13.308859 1 2927 1 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 0 15.701391 -23.596664 -13.595621 1 2928 1 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 0 14.340685 -22.419508 -12.35209 1 2929 1 +ATOM N N . SER B0 2 162 . 162 SER B0 N 0 9.278924 -24.272425 -12.639594 1 2930 1 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 0 8.207055 -24.040451 -11.67918 1 2931 1 +ATOM C C . SER B0 2 162 . 162 SER B0 C 0 8.663658 -24.592022 -10.332127 1 2932 1 +ATOM O O . SER B0 2 162 . 162 SER B0 O 0 9.267615 -25.666618 -10.276 1 2933 1 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 0 6.917156 -24.722694 -12.133275 1 2934 1 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 0 5.8481483 -24.453964 -11.24069 1 2935 1 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 0 8.389062 -23.843044 -9.258854 1 2936 1 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 0 8.823626 -24.23852 -7.923686 1 2937 1 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 0 7.6198025 -24.297188 -6.9948387 1 2938 1 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 0 6.7506895 -23.422653 -7.03169 1 2939 1 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 0 9.872089 -23.256523 -7.3561873 1 2940 1 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 0 10.456589 -23.781185 -6.055681 1 2941 1 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 0 10.983541 -23.018202 -8.371425 1 2942 1 +ATOM N N . THR B0 2 164 . 164 THR B0 N 0 7.592206 -25.305645 -6.134358 1 2943 1 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 0 6.526497 -25.415493 -5.1478553 1 2944 1 +ATOM C C . THR B0 2 164 . 164 THR B0 C 0 6.744745 -24.42247 -4.0098624 1 2945 1 +ATOM O O . THR B0 2 164 . 164 THR B0 O 0 7.8503733 -23.901323 -3.820382 1 2946 1 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 0 6.4651637 -26.835653 -4.5450826 1 2947 1 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 0 7.7288384 -27.142689 -3.939672 1 2948 1 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 0 6.1425653 -27.875246 -5.6058884 1 2949 1 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 0 5.686465 -24.154837 -3.240528 1 2950 1 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 0 5.8300276 -23.445494 -1.9821703 1 2951 1 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 0 6.557055 -24.353252 -0.9968927 1 2952 1 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 0 6.652878 -25.564505 -1.2103574 1 2953 1 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 0 4.459039 -23.054865 -1.4270692 1 2954 1 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 0 3.6646886 -22.08929 -2.3140721 1 2955 1 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 0 4.291049 -20.716578 -2.3846254 1 2956 1 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 0 4.1031017 -20.03614 -3.406509 1 2957 1 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 0 4.979642 -20.312948 -1.4129694 1 2958 1 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 0 7.080743 -23.755405 0.06711715 1 2959 1 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 0 7.761944 -24.56401 1.0766621 1 2960 1 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 0 6.8388333 -25.652853 1.6026115 1 2961 1 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 0 5.670973 -25.398033 1.9134624 1 2962 1 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 0 8.24221 -23.706297 2.2443748 1 2963 1 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 0 9.588615 -23.05986 2.0337744 1 2964 1 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 0 10.123468 -22.446463 3.3062172 1 2965 1 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 0 9.54669 -21.497118 3.8307781 1 2966 1 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 0 11.204096 -22.998316 3.8310385 1 2967 1 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 0 7.365239 -26.86602 1.6978697 1 2968 1 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 0 6.581897 -27.990555 2.209051 1 2969 1 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 0 6.1683383 -27.727726 3.6507196 1 2970 1 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 0 6.971045 -27.246365 4.461698 1 2971 1 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 0 7.3964825 -29.277504 2.119442 1 2972 1 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 0 6.601844 -30.504347 2.5085926 1 2973 1 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 0 6.636583 -30.899849 3.6925082 1 2974 1 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 0 5.9401054 -31.071903 1.6184585 1 2975 1 +ATOM N N . SER B0 2 168 . 168 SER B0 N 0 4.9166493 -28.007488 3.9769983 1 2976 1 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 0 4.386405 -27.724981 5.3018756 1 2977 1 +ATOM C C . SER B0 2 168 . 168 SER B0 C 0 5.001052 -28.599785 6.3867416 1 2978 1 +ATOM O O . SER B0 2 168 . 168 SER B0 O 0 4.9184103 -28.257088 7.5672297 1 2979 1 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 0 2.8659492 -27.9011 5.306049 1 2980 1 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 0 2.507276 -29.231197 5.003692 1 2981 1 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 0 5.6063285 -29.726465 6.0144997 1 2982 1 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 0 6.1659102 -30.654156 6.9967203 1 2983 1 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 0 7.6792135 -30.526062 7.138546 1 2984 1 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 0 8.174998 -30.40657 8.253944 1 2985 1 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 0 5.8017006 -32.09494 6.6354685 1 2986 1 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 0 4.3175983 -32.41084 6.7582607 1 2987 1 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 0 4.0313315 -33.8767 6.4792976 1 2988 1 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 0 2.5586905 -34.21256 6.6707487 1 2989 1 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 0 1.6827887 -33.514946 5.707012 1 2990 1 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 0 8.413092 -30.534595 6.012128 1 2991 1 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 0 9.86708 -30.509468 6.1087604 1 2992 1 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 0 10.502279 -29.214832 5.6157746 1 2993 1 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 0 11.730751 -29.094852 5.635476 1 2994 1 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 0 10.483759 -31.717445 5.3886795 1 2995 1 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 0 10.274037 -31.706078 3.8842337 1 2996 1 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 0 9.842432 -30.673473 3.3357043 1 2997 1 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 0 10.557017 -32.748543 3.2495124 1 2998 1 +ATOM N N . SER B0 2 171 . 171 SER B0 N 0 9.701471 -28.24002 5.2027164 1 2999 1 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 0 10.156372 -26.911144 4.8027177 1 3000 1 +ATOM C C . SER B0 2 171 . 171 SER B0 C 0 11.085407 -26.91224 3.5891294 1 3001 1 +ATOM O O . SER B0 2 171 . 171 SER B0 O 0 11.852989 -25.96248 3.392009 1 3002 1 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 0 10.825231 -26.179901 5.9766607 1 3003 1 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 0 9.951941 -26.094763 7.0900497 1 3004 1 +ATOM N N . THR B0 2 172 . 172 THR B0 N 0 11.028677 -27.948444 2.766295 1 3005 1 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 0 11.843802 -28.010416 1.553924 1 3006 1 +ATOM C C . THR B0 2 172 . 172 THR B0 C 0 11.062164 -27.503887 0.34597686 1 3007 1 +ATOM O O . THR B0 2 172 . 172 THR B0 O 0 9.843891 -27.296284 0.40520534 1 3008 1 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 0 12.332892 -29.442204 1.2639788 1 3009 1 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 0 11.20158 -30.289436 1.0390759 1 3010 1 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 0 13.18524 -29.981781 2.3992734 1 3011 1 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 0 11.789238 -27.326458 -0.7553178 1 3012 1 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 0 11.217903 -26.959757 -2.041809 1 3013 1 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 0 11.425621 -28.088758 -3.0386465 1 3014 1 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 0 12.319857 -28.91761 -2.879481 1 3015 1 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 0 11.879209 -25.690067 -2.6006057 1 3016 1 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 0 11.739501 -24.47001 -1.7257862 1 3017 1 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 0 12.709321 -24.158747 -0.77605236 1 3018 1 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 0 10.654545 -23.620089 -1.8583564 1 3019 1 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 0 12.588522 -23.039886 0.021924756 1 3020 1 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 0 10.526285 -22.495325 -1.0649967 1 3021 1 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 0 11.499535 -22.210314 -0.12699947 1 3022 1 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 0 11.384035 -21.106483 0.66167134 1 3023 1 +ATOM N N . SER B0 2 174 . 174 SER B0 N 0 10.601004 -28.092245 -4.0614114 1 3024 1 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 0 10.832315 -28.949574 -5.2248573 1 3025 1 +ATOM C C . SER B0 2 174 . 174 SER B0 C 0 10.683869 -28.096273 -6.477769 1 3026 1 +ATOM O O . SER B0 2 174 . 174 SER B0 O 0 9.934559 -27.113714 -6.4855227 1 3027 1 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 0 9.855162 -30.127516 -5.2486863 1 3028 1 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 0 10.104719 -31.014557 -4.161528 1 3029 1 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 0 11.417001 -28.470358 -7.523423 1 3030 1 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 0 11.4514885 -27.67163 -8.741381 1 3031 1 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 0 11.359663 -28.575005 -9.961416 1 3032 1 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 0 11.964596 -29.654364 -9.983364 1 3033 1 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 0 12.746301 -26.850662 -8.791021 1 3034 1 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 0 13.0225115 -25.94072 -9.986063 1 3035 1 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 0 13.899328 -24.764914 -9.559375 1 3036 1 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 0 13.677237 -26.69185 -11.144651 1 3037 1 +ATOM N N . SER B0 2 176 . 176 SER B0 N 0 10.589333 -28.130491 -10.949333 1 3038 1 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 0 10.54581 -28.813812 -12.231962 1 3039 1 +ATOM C C . SER B0 2 176 . 176 SER B0 C 0 11.089502 -27.882307 -13.304184 1 3040 1 +ATOM O O . SER B0 2 176 . 176 SER B0 O 0 10.859965 -26.669483 -13.276634 1 3041 1 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 0 9.119915 -29.239029 -12.593897 1 3042 1 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 0 8.346037 -28.128586 -12.994629 1 3043 1 +ATOM N N . SER B0 2 177 . 177 SER B0 N 0 11.850145 -28.448467 -14.22279 1 3044 1 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 0 12.304272 -27.718538 -15.404614 1 3045 1 +ATOM C C . SER B0 2 177 . 177 SER B0 C 0 11.911784 -28.539906 -16.622684 1 3046 1 +ATOM O O . SER B0 2 177 . 177 SER B0 O 0 12.228748 -29.729553 -16.693361 1 3047 1 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 0 13.81682 -27.492683 -15.372343 1 3048 1 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 0 14.246434 -26.771458 -16.523657 1 3049 1 +ATOM N N . THR B0 2 178 . 178 THR B0 N 0 11.208754 -27.902164 -17.548595 1 3050 1 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 0 10.73456 -28.606289 -18.734335 1 3051 1 +ATOM C C . THR B0 2 178 . 178 THR B0 C 0 11.387481 -28.023466 -19.98233 1 3052 1 +ATOM O O . THR B0 2 178 . 178 THR B0 O 0 11.2427635 -26.833769 -20.26931 1 3053 1 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 0 9.203142 -28.519194 -18.86177 1 3054 1 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 0 8.604115 -29.069595 -17.686806 1 3055 1 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 0 8.715221 -29.300476 -20.081491 1 3056 1 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 0 12.118193 -28.882122 -20.68985 1 3057 1 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 0 12.724159 -28.522503 -21.968058 1 3058 1 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 0 11.768087 -28.938892 -23.07894 1 3059 1 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 0 11.343398 -30.097878 -23.122551 1 3060 1 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 0 14.069649 -29.23705 -22.140759 1 3061 1 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 0 14.80685 -29.031836 -23.472307 1 3062 1 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 0 15.910876 -30.083418 -23.627253 1 3063 1 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 0 15.380811 -27.631123 -23.54588 1 3064 1 +ATOM N N . THR B0 2 180 . 180 THR B0 N 0 11.411982 -27.996367 -23.956104 1 3065 1 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 0 10.455696 -28.302074 -25.016037 1 3066 1 +ATOM C C . THR B0 2 180 . 180 THR B0 C 0 11.1089735 -28.162355 -26.388004 1 3067 1 +ATOM O O . THR B0 2 180 . 180 THR B0 O 0 11.713085 -27.130909 -26.696796 1 3068 1 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 0 9.224461 -27.384747 -24.92868 1 3069 1 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 0 8.604855 -27.549057 -23.650982 1 3070 1 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 0 8.217873 -27.71886 -26.023422 1 3071 1 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 0 10.983091 -29.216553 -27.199266 1 3072 1 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 0 11.495029 -29.23999 -28.567905 1 3073 1 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 0 10.435078 -29.828892 -29.48655 1 3074 1 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 0 9.542247 -30.548605 -29.032682 1 3075 1 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 0 12.760829 -30.098972 -28.668953 1 3076 1 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 0 13.9542055 -29.740559 -27.801582 1 3077 1 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 0 15.015488 -30.834667 -27.909914 1 3078 1 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 0 14.522801 -28.39642 -28.202969 1 3079 1 +ATOM N N . SER B0 2 182 . 182 SER B0 N 0 10.554809 -29.518215 -30.775414 1 3080 1 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 0 9.714781 -30.216274 -31.739456 1 3081 1 +ATOM C C . SER B0 2 182 . 182 SER B0 C 0 10.183493 -31.665405 -31.824118 1 3082 1 +ATOM O O . SER B0 2 182 . 182 SER B0 O 0 11.329494 -31.979633 -31.489342 1 3083 1 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 0 9.798953 -29.553545 -33.11699 1 3084 1 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 0 11.091896 -29.7312 -33.674595 1 3085 1 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 0 9.31469 -32.55105 -32.26813 1 3086 1 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 0 9.705826 -33.94829 -32.43066 1 3087 1 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 0 10.902475 -34.06653 -33.36686 1 3088 1 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 0 11.83877 -34.82187 -33.10901 1 3089 1 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 0 8.537987 -34.78212 -32.958435 1 3090 1 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 0 8.90222 -36.228256 -33.264503 1 3091 1 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 0 7.7302594 -36.9738 -33.895786 1 3092 1 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 0 8.1230955 -38.405144 -34.26045 1 3093 1 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 0 6.9911485 -39.13883 -34.885815 1 3094 1 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 0 10.873907 -33.288353 -34.458923 1 3095 1 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 0 11.955431 -33.338646 -35.44104 1 3096 1 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 0 13.292328 -32.937733 -34.82177 1 3097 1 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 0 14.306997 -33.602257 -35.035427 1 3098 1 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 0 11.630322 -32.439125 -36.62645 1 3099 1 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 0 13.29302 -31.844063 -34.043983 1 3100 1 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 0 14.533442 -31.407574 -33.397255 1 3101 1 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 0 14.973728 -32.413315 -32.34007 1 3102 1 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 0 16.173615 -32.660934 -32.193462 1 3103 1 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 0 14.349058 -30.02705 -32.76924 1 3104 1 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 0 14.378429 -28.907528 -33.79651 1 3105 1 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 0 14.818256 -29.159594 -34.941833 1 3106 1 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 0 13.955606 -27.782932 -33.454857 1 3107 1 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 0 14.02828 -32.96463 -31.597736 1 3108 1 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 0 14.357026 -33.950676 -30.569744 1 3109 1 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 0 15.062614 -35.160416 -31.174547 1 3110 1 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 0 16.02533 -35.685093 -30.603464 1 3111 1 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 0 13.085988 -34.379135 -29.832327 1 3112 1 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 0 13.314451 -35.501995 -28.839119 1 3113 1 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 0 12.822246 -36.782394 -29.087637 1 3114 1 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 0 14.00589 -35.27098 -27.65722 1 3115 1 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 0 13.021376 -37.800247 -28.180904 1 3116 1 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 0 14.210581 -36.294918 -26.744099 1 3117 1 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 0 13.716309 -37.558384 -27.011501 1 3118 1 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 0 13.915877 -38.569054 -26.115025 1 3119 1 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 0 14.598793 -35.593613 -32.34151 1 3120 1 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 0 15.148297 -36.787727 -32.976555 1 3121 1 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 0 16.477646 -36.535027 -33.69158 1 3122 1 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 0 17.084564 -37.475243 -34.19922 1 3123 1 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 0 14.123543 -37.382515 -33.947468 1 3124 1 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 0 12.913388 -37.95301 -33.213356 1 3125 1 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 0 11.891621 -38.5936 -34.12616 1 3126 1 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 0 11.050991 -39.36534 -33.630024 1 3127 1 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 0 11.9145355 -38.309666 -35.349945 1 3128 1 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 0 16.929565 -35.28854 -33.740257 1 3129 1 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 0 18.22374 -34.961983 -34.337 1 3130 1 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 0 19.379932 -35.12612 -33.365517 1 3131 1 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 0 20.542221 -35.064606 -33.773857 1 3132 1 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 0 18.220459 -33.525406 -34.873077 1 3133 1 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 0 17.316128 -33.307724 -36.07353 1 3134 1 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 0 17.35427 -31.84681 -36.50421 1 3135 1 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 0 16.425848 -31.61599 -37.683372 1 3136 1 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 0 16.370195 -30.182686 -38.051926 1 3137 1 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 0 19.082348 -35.29743 -32.080795 1 3138 1 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 0 20.126719 -35.345924 -31.061218 1 3139 1 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 0 20.022673 -36.62539 -30.250048 1 3140 1 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 0 18.994568 -37.30641 -30.24628 1 3141 1 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 0 20.034515 -34.116238 -30.152687 1 3142 1 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 0 20.067017 -32.83347 -30.917395 1 3143 1 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 0 21.24474 -32.302742 -31.40827 1 3144 1 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 0 19.081406 -31.989815 -31.292667 1 3145 1 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 0 20.969812 -31.188099 -32.052933 1 3146 1 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 0 19.664448 -30.96888 -31.998663 1 3147 1 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 0 21.094383 -36.926914 -29.502344 1 3148 1 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 0 21.17601 -38.17714 -28.76117 1 3149 1 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 0 21.155518 -37.986275 -27.243614 1 3150 1 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 0 20.299118 -38.55873 -26.566128 1 3151 1 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 0 22.441532 -38.94518 -29.15385 1 3152 1 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 0 22.62738 -40.25167 -28.377443 1 3153 1 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 0 23.91529 -40.95093 -28.806618 1 3154 1 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 0 24.145142 -42.216255 -27.964882 1 3155 1 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 0 25.411549 -42.880394 -28.334225 1 3156 1 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 0 22.077469 -37.181213 -26.702085 1 3157 1 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 0 22.240318 -37.071247 -25.260267 1 3158 1 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 0 21.490337 -35.85239 -24.719385 1 3159 1 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 0 21.73786 -34.71874 -25.148178 1 3160 1 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 0 23.733547 -36.993282 -24.866385 1 3161 1 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 0 23.87772 -36.954514 -23.353779 1 3162 1 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 0 24.505436 -38.171516 -25.451576 1 3163 1 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 0 20.600315 -36.099754 -23.786396 1 3164 1 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 0 19.8439 -35.044567 -23.115036 1 3165 1 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 0 20.236805 -35.042534 -21.648956 1 3166 1 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 0 20.092983 -36.057266 -20.96584 1 3167 1 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 0 18.336817 -35.26146 -23.294798 1 3168 1 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 0 17.907612 -35.023064 -24.721516 1 3169 1 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 0 18.041441 -36.02311 -25.675482 1 3170 1 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 0 17.432667 -33.78487 -25.128033 1 3171 1 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 0 17.6946 -35.7956 -26.99776 1 3172 1 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 0 17.081512 -33.55052 -26.447012 1 3173 1 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 0 17.217007 -34.56295 -27.37607 1 3174 1 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 0 16.887117 -34.327785 -28.682894 1 3175 1 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 0 20.727251 -33.89321 -21.17166 1 3176 1 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 0 21.255901 -33.815414 -19.820475 1 3177 1 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 0 20.719997 -32.59649 -19.077908 1 3178 1 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 0 20.54684 -31.521992 -19.659248 1 3179 1 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 0 22.780888 -33.785606 -19.842026 1 3180 1 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 0 20.434044 -32.79121 -17.785522 1 3181 1 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 0 20.027082 -31.733936 -16.871498 1 3182 1 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 0 21.120296 -31.615578 -15.815811 1 3183 1 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 0 21.388645 -32.57524 -15.0869055 1 3184 1 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 0 18.693127 -32.085228 -16.236519 1 3185 1 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 0 18.145302 -30.977629 -14.950186 1 3186 1 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 0 21.782093 -30.427935 -15.723328 1 3187 1 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 0 22.854855 -30.206652 -14.760774 1 3188 1 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 0 22.35498 -29.298515 -13.645232 1 3189 1 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 0 21.844814 -28.201332 -13.90449 1 3190 1 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 0 24.074593 -29.57971 -15.444638 1 3191 1 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 0 25.264732 -29.398624 -14.522033 1 3192 1 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 0 26.42335 -28.702637 -15.206919 1 3193 1 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 0 27.435802 -29.371658 -15.508625 1 3194 1 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 0 26.301542 -27.484837 -15.45718 1 3195 1 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 0 22.505451 -29.742203 -12.415297 1 3196 1 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 0 21.959572 -29.042967 -11.259805 1 3197 1 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 0 23.08495 -28.556824 -10.347453 1 3198 1 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 0 23.96908 -29.329275 -9.969551 1 3199 1 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 0 20.998772 -29.950678 -10.469386 1 3200 1 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 0 20.5268 -29.254843 -9.195289 1 3201 1 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 0 19.812172 -30.341393 -11.341 1 3202 1 +ATOM N N . THR B0 2 197 . 197 THR B0 N 0 23.005508 -27.25615 -9.997562 1 3203 1 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 0 23.915316 -26.659496 -9.035854 1 3204 1 +ATOM C C . THR B0 2 197 . 197 THR B0 C 0 23.098166 -26.204199 -7.8292913 1 3205 1 +ATOM O O . THR B0 2 197 . 197 THR B0 O 0 22.070763 -25.54617 -7.9883556 1 3206 1 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 0 24.673513 -25.469627 -9.647995 1 3207 1 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 0 25.380955 -25.912777 -10.810158 1 3208 1 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 0 25.64705 -24.86524 -8.656708 1 3209 1 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 0 23.560316 -26.544113 -6.6367536 1 3210 1 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 0 22.85089 -26.203554 -5.403749 1 3211 1 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 0 23.842434 -26.18239 -4.2473745 1 3212 1 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 0 24.840881 -26.908596 -4.2635746 1 3213 1 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 0 21.723793 -27.19486 -5.1249924 1 3214 1 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 0 20.892296 -26.842037 -3.9413934 1 3215 1 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 0 21.097614 -27.39703 -2.6918306 1 3216 1 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 0 19.850239 -25.98602 -3.8125587 1 3217 1 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 0 20.220558 -26.880066 -1.8500339 1 3218 1 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 0 19.450018 -26.025362 -2.4989495 1 3219 1 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 0 23.555132 -25.349411 -3.250479 1 3220 1 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 0 24.43119 -25.188799 -2.0959558 1 3221 1 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 0 24.71648 -26.520872 -1.3937721 1 3222 1 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 0 25.810392 -26.726242 -0.8576306 1 3223 1 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 0 23.808146 -24.194048 -1.1109732 1 3224 1 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 0 24.642082 -23.957222 0.1363883 1 3225 1 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 0 23.972193 -23.00145 1.1018168 1 3226 1 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 0 23.112223 -22.212269 0.70230466 1 3227 1 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 0 24.353233 -23.055588 2.3698587 1 3228 1 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 0 23.738632 -27.413857 -1.3986036 1 3229 1 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 0 23.894552 -28.704712 -0.7419082 1 3230 1 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 0 24.703173 -29.719433 -1.5211537 1 3231 1 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 0 24.943237 -30.821617 -1.0328249 1 3232 1 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 0 25.133896 -29.358732 -2.7328622 1 3233 1 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 0 25.934937 -30.2409 -3.572493 1 3234 1 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 0 27.365665 -29.719574 -3.646552 1 3235 1 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 0 27.581284 -28.540054 -3.9220347 1 3236 1 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 0 25.346575 -30.326164 -4.985012 1 3237 1 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 0 23.915495 -30.845963 -5.1072235 1 3238 1 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 0 23.393105 -30.624481 -6.5268564 1 3239 1 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 0 23.850325 -32.32048 -4.734735 1 3240 1 +ATOM N N . SER B0 2 202 . 202 SER B0 N 0 28.327213 -30.583199 -3.3882604 1 3241 1 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 0 29.727112 -30.169743 -3.4334092 1 3242 1 +ATOM C C . SER B0 2 202 . 202 SER B0 C 0 30.168621 -29.839449 -4.8549905 1 3243 1 +ATOM O O . SER B0 2 202 . 202 SER B0 O 0 31.102367 -29.054737 -5.04601 1 3244 1 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 0 30.618214 -31.264309 -2.8481965 1 3245 1 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 0 30.499966 -32.47202 -3.5631192 1 3246 1 +ATOM N N . SER B0 2 203 . 203 SER B0 N 0 29.519255 -30.439156 -5.8257136 1 3247 1 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 0 29.7621 -30.160006 -7.2376637 1 3248 1 +ATOM C C . SER B0 2 203 . 203 SER B0 C 0 28.47338 -30.384727 -8.007082 1 3249 1 +ATOM O O . SER B0 2 203 . 203 SER B0 O 0 27.57314 -31.076502 -7.524893 1 3250 1 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 0 30.883608 -31.053143 -7.7876654 1 3251 1 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 0 30.536007 -32.42068 -7.697656 1 3252 1 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 0 28.336266 -29.780602 -9.190375 1 3253 1 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 0 27.09946 -29.965466 -9.953654 1 3254 1 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 0 26.801832 -31.431911 -10.222182 1 3255 1 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 0 27.711697 -32.230495 -10.446887 1 3256 1 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 0 27.3685 -29.193672 -11.250996 1 3257 1 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 0 28.37822 -28.160786 -10.869497 1 3258 1 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 0 29.25483 -28.841522 -9.855751 1 3259 1 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 0 25.513893 -31.770157 -10.169795 1 3260 1 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 0 25.045841 -33.12564 -10.455292 1 3261 1 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 0 24.354788 -33.119453 -11.80546 1 3262 1 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 0 23.540167 -32.23474 -12.08977 1 3263 1 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 0 24.083706 -33.63507 -9.362784 1 3264 1 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 0 23.393154 -34.926476 -9.804478 1 3265 1 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 0 24.833904 -33.84606 -8.062005 1 3266 1 +ATOM N N . THR B0 2 206 . 206 THR B0 N 0 24.680248 -34.11003 -12.633199 1 3267 1 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 0 24.074593 -34.220444 -13.956558 1 3268 1 +ATOM C C . THR B0 2 206 . 206 THR B0 C 0 23.308664 -35.53147 -14.079803 1 3269 1 +ATOM O O . THR B0 2 206 . 206 THR B0 O 0 23.8222 -36.590816 -13.736721 1 3270 1 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 0 25.138643 -34.136063 -15.064705 1 3271 1 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 0 25.79546 -32.875267 -15.007143 1 3272 1 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 0 24.501999 -34.303925 -16.44474 1 3273 1 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 0 22.0709 -35.430893 -14.547304 1 3274 1 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 0 21.265446 -36.59266 -14.907846 1 3275 1 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 0 21.038147 -36.5347 -16.404667 1 3276 1 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 0 20.741756 -35.465645 -16.948658 1 3277 1 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 0 19.928564 -36.606285 -14.165579 1 3278 1 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 0 20.030712 -37.02385 -12.698891 1 3279 1 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 0 20.320246 -38.507286 -12.584296 1 3280 1 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 0 20.335402 -38.9433 -11.118213 1 3281 1 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 0 20.596653 -40.395206 -10.99752 1 3282 1 +ATOM N N . SER B0 2 208 . 208 SER B0 N 0 21.19434 -37.67426 -17.087349 1 3283 1 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 0 21.06953 -37.670677 -18.536972 1 3284 1 +ATOM C C . SER B0 2 208 . 208 SER B0 C 0 20.511683 -38.99092 -19.045294 1 3285 1 +ATOM O O . SER B0 2 208 . 208 SER B0 O 0 20.466906 -39.986355 -18.3262 1 3286 1 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 0 22.425991 -37.387753 -19.200346 1 3287 1 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 0 23.340078 -38.436512 -18.950489 1 3288 1 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 0 20.091236 -38.99032 -20.29247 1 3289 1 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 0 19.660738 -40.205437 -20.979969 1 3290 1 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 0 20.019196 -40.098946 -22.453144 1 3291 1 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 0 20.248257 -38.994858 -22.970112 1 3292 1 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 0 18.1501 -40.46498 -20.80631 1 3293 1 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 0 17.256588 -39.45895 -21.490734 1 3294 1 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 0 16.805775 -38.347748 -20.807442 1 3295 1 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 0 16.87131 -39.619255 -22.808775 1 3296 1 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 0 15.979479 -37.41084 -21.425594 1 3297 1 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 0 16.0499 -38.69035 -23.432434 1 3298 1 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 0 15.603699 -37.58943 -22.743084 1 3299 1 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 0 20.086424 -41.23227 -23.08968 1 3300 1 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 0 20.299576 -41.289062 -24.533655 1 3301 1 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 0 18.973587 -41.58891 -25.207987 1 3302 1 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 0 18.297398 -42.558563 -24.84258 1 3303 1 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 0 21.319588 -42.367523 -24.890173 1 3304 1 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 0 22.701607 -42.081726 -24.341488 1 3305 1 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 0 23.067724 -40.930244 -24.13755 1 3306 1 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 0 23.487947 -43.125824 -24.107544 1 3307 1 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 0 18.592667 -40.76864 -26.185085 1 3308 1 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 0 17.318806 -40.939415 -26.870758 1 3309 1 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 0 17.215595 -42.342495 -27.464584 1 3310 1 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 0 18.123093 -42.808067 -28.14338 1 3311 1 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 0 17.153296 -39.888836 -27.98413 1 3312 1 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 0 15.85434 -40.00957 -28.75478 1 3313 1 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 0 15.777054 -39.02752 -29.92246 1 3314 1 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 0 16.927008 -39.130386 -30.808945 1 3315 1 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 0 17.086147 -40.071484 -31.713829 1 3316 1 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 0 18.178156 -40.086647 -32.478962 1 3317 1 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 0 16.165195 -40.9934 -31.878838 1 3318 1 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 0 16.126036 -43.004807 -27.17627 1 3319 1 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 0 15.87468 -44.333878 -27.701 1 3320 1 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 0 16.599892 -45.455925 -26.99687 1 3321 1 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 0 16.553612 -46.603485 -27.47834 1 3322 1 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 0 17.266548 -45.1697 -25.907969 1 3323 1 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 0 18.008152 -46.19803 -25.183762 1 3324 1 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 0 17.572586 -46.252716 -23.722832 1 3325 1 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 0 16.902988 -45.35398 -23.225477 1 3326 1 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 0 19.524696 -45.91971 -25.246054 1 3327 1 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 0 20.046549 -45.919846 -26.661972 1 3328 1 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 0 21.524422 -45.609077 -26.713875 1 3329 1 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 0 22.05576 -45.435707 -27.821514 1 3330 1 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 0 22.181782 -45.52927 -25.653324 1 3331 1 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 0 17.970829 -47.16274 -23.011738 1 3332 1 +ATOM N N . SER C0 3 1 . 1 SER C0 N 0 -10.559441 4.669023 42.374092 1 3333 1 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 0 -10.555687 5.9642706 41.698315 1 3334 1 +ATOM C C . SER C0 3 1 . 1 SER C0 C 0 -9.6034775 6.9283915 42.38109 1 3335 1 +ATOM O O . SER C0 3 1 . 1 SER C0 O 0 -9.291125 6.7847404 43.569973 1 3336 1 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 0 -11.972134 6.553424 41.67727 1 3337 1 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 0 -12.436323 6.7975445 42.993824 1 3338 1 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 0 -9.128308 7.8968697 41.63611 1 3339 1 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 0 -8.168669 8.85349 42.15004 1 3340 1 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 0 -8.867178 10.103494 42.68237 1 3341 1 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 0 -9.889775 10.534191 42.1437 1 3342 1 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 0 -7.1709886 9.24897 41.057785 1 3343 1 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 0 -6.3326855 8.122124 40.447033 1 3344 1 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 0 -5.367944 8.693703 39.4181 1 3345 1 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 0 -5.5872755 7.3516045 41.51391 1 3346 1 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 0 -8.290693 10.697765 43.708447 1 3347 1 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 0 -8.767129 11.955767 44.273827 1 3348 1 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 0 -7.5772834 12.732273 44.821545 1 3349 1 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 0 -6.419468 12.320125 44.640022 1 3350 1 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 0 -9.825815 11.712579 45.36191 1 3351 1 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 0 -9.347393 10.82021 46.487835 1 3352 1 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 0 -8.125387 10.681013 46.684444 1 3353 1 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 0 -10.202979 10.2487755 47.18714 1 3354 1 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 0 -7.836017 13.867491 45.504265 1 3355 1 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 0 -6.746161 14.696136 46.00846 1 3356 1 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 0 -5.894949 13.966095 47.047634 1 3357 1 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 0 -4.7034197 14.267422 47.19396 1 3358 1 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 0 -7.3070526 15.989042 46.6168 1 3359 1 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 0 -7.9222836 16.92815 45.588745 1 3360 1 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 0 -8.412428 18.22771 46.197655 1 3361 1 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 0 -8.989372 19.052818 45.47183 1 3362 1 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 0 -8.221067 18.43604 47.426075 1 3363 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 -6.493365 13.006773 47.75347 1 3364 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 -5.780756 12.314843 48.82209 1 3365 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 -4.820409 11.261963 48.29097 1 3366 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 -3.6836796 11.160143 48.776787 1 3367 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 -6.7812862 11.665822 49.78824 1 3368 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 -6.1352105 10.949518 50.96801 1 3369 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 -7.180881 10.408501 51.924995 1 3370 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 -6.543249 9.64339 53.071243 1 3371 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 -5.6877565 10.525197 53.910885 1 3372 1 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 0 -5.2160864 10.499249 47.270027 1 3373 1 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 0 -4.387351 9.397367 46.792236 1 3374 1 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 0 -3.7092395 9.685459 45.45389 1 3375 1 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 0 -3.1900222 8.766526 44.811005 1 3376 1 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 0 -5.2136917 8.113062 46.710712 1 3377 1 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 0 -6.320421 8.170818 45.673676 1 3378 1 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 0 -6.514491 9.17924 44.99718 1 3379 1 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 0 -7.062426 7.0764465 45.527824 1 3380 1 +ATOM N N . SER C0 3 7 . 7 SER C0 N 0 -3.6680193 10.9709015 45.045765 1 3381 1 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 0 -3.0769114 11.312272 43.758232 1 3382 1 +ATOM C C . SER C0 3 7 . 7 SER C0 C 0 -2.3477018 12.64637 43.824474 1 3383 1 +ATOM O O . SER C0 3 7 . 7 SER C0 O 0 -2.5042071 13.415462 44.77865 1 3384 1 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 0 -4.1502547 11.353 42.670135 1 3385 1 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 0 -5.047528 12.417389 42.89759 1 3386 1 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 0 -1.5515139 12.907227 42.803024 1 3387 1 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 0 -0.8675304 14.176329 42.621826 1 3388 1 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 0 -1.4764541 14.865206 41.39848 1 3389 1 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 0 -1.6611243 14.223631 40.351585 1 3390 1 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 0 0.64690554 13.979838 42.427708 1 3391 1 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 0 1.3257616 15.300842 42.119007 1 3392 1 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 0 1.2669992 13.326332 43.65567 1 3393 1 +ATOM N N . SER C0 3 9 . 9 SER C0 N 0 -1.7987533 16.144941 41.518562 1 3394 1 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 0 -2.3660517 16.908333 40.42118 1 3395 1 +ATOM C C . SER C0 3 9 . 9 SER C0 C 0 -1.2497711 17.59595 39.63843 1 3396 1 +ATOM O O . SER C0 3 9 . 9 SER C0 O 0 -0.42087972 18.301542 40.222958 1 3397 1 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 0 -3.3645723 17.937195 40.948856 1 3398 1 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 0 -3.9530554 18.667542 39.88938 1 3399 1 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 0 -1.2182946 17.384716 38.330444 1 3400 1 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 0 -0.19898915 17.970032 37.466034 1 3401 1 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 0 -0.8766492 18.911137 36.472 1 3402 1 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 0 -1.8031075 18.503696 35.759163 1 3403 1 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 0 0.5922445 16.881195 36.713882 1 3404 1 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 0 1.615057 17.508478 35.78128 1 3405 1 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 0 1.2700665 15.932914 37.696907 1 3406 1 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 0 -0.40416798 20.166994 36.420334 1 3407 1 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 0 -0.93745935 21.142323 35.479343 1 3408 1 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 0 -0.40646255 20.870916 34.07382 1 3409 1 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 0 0.77933866 20.561659 33.896164 1 3410 1 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 0 -0.56936103 22.567383 35.910175 1 3411 1 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 0 -1.3035631 23.006817 37.158703 1 3412 1 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 0 -2.4715624 22.609589 37.33076 1 3413 1 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 0 -0.7131089 23.755962 37.957054 1 3414 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 -1.2808881 21.003168 33.08713 1 3415 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 -0.93807685 20.7275 31.698135 1 3416 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 -1.2269559 21.943697 30.827564 1 3417 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 -2.0228233 22.80685 31.19718 1 3418 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 -1.7492037 19.540142 31.179682 1 3419 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 -1.6025816 18.215137 31.920828 1 3420 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 -2.624782 17.214767 31.39592 1 3421 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 -0.18902002 17.679087 31.78095 1 3422 1 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 0 -0.588406 22.027964 29.653065 1 3423 1 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 0 -0.93669164 23.084423 28.697191 1 3424 1 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 0 -2.4298658 23.04306 28.366993 1 3425 1 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 0 -3.0389738 21.969604 28.343409 1 3426 1 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 0 -0.0768472 22.756554 27.471909 1 3427 1 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 0 1.0945208 22.001251 28.025288 1 3428 1 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 0 0.53311676 21.20023 29.165936 1 3429 1 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 0 -3.009982 24.213982 28.117605 1 3430 1 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 0 -4.4303913 24.276798 27.820435 1 3431 1 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 0 -5.2980304 24.37325 29.056068 1 3432 1 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 0 -6.503874 24.129402 28.978132 1 3433 1 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 0 -4.6763067 24.723103 30.180807 1 3434 1 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 0 -5.376549 24.864433 31.455196 1 3435 1 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 0 -6.1345396 23.593338 31.843004 1 3436 1 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 0 -7.2708683 23.635424 32.296425 1 3437 1 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 0 -6.326479 26.068 31.412628 1 3438 1 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 0 -5.616886 27.37724 31.1345 1 3439 1 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 0 -6.539058 28.572495 31.166939 1 3440 1 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 0 -6.700591 29.227905 30.119026 1 3441 1 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 0 -7.106859 28.85701 32.239716 1 3442 1 +ATOM N N . MET C0 3 16 . 16 MET C0 N 0 -5.4799385 22.4617 31.625576 1 3443 1 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 0 -6.014274 21.177053 32.044197 1 3444 1 +ATOM C C . MET C0 3 16 . 16 MET C0 C 0 -5.176125 20.628304 33.18683 1 3445 1 +ATOM O O . MET C0 3 16 . 16 MET C0 O 0 -4.0737276 21.10402 33.45688 1 3446 1 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 0 -6.0176206 20.17728 30.880447 1 3447 1 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 0 -6.9234066 20.560183 29.730072 1 3448 1 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 0 -7.022079 19.253668 28.47699 1 3449 1 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 0 -5.3139987 19.187088 27.941025 1 3450 1 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 0 -5.6946883 19.621315 33.853397 1 3451 1 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 0 -4.9622188 18.939999 34.91073 1 3452 1 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 0 -5.1036882 17.439339 34.738693 1 3453 1 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 0 -6.1303024 16.952942 34.25349 1 3454 1 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 0 -5.4986095 19.337492 36.296196 1 3455 1 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 0 -5.2975025 20.792048 36.661186 1 3456 1 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 0 -5.8692193 21.087677 38.037342 1 3457 1 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 0 -5.73415 22.560911 38.399605 1 3458 1 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 0 -4.3269787 22.960976 38.595535 1 3459 1 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 0 -4.0746956 16.7127 35.13764 1 3460 1 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 0 -4.1489134 15.259115 35.155937 1 3461 1 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 0 -3.845364 14.795664 36.574474 1 3462 1 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 0 -2.9464355 15.333384 37.23607 1 3463 1 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 0 -3.174026 14.604881 34.141823 1 3464 1 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 0 -3.3433104 13.081769 34.12596 1 3465 1 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 0 -1.730679 14.978283 34.443916 1 3466 1 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 0 -4.60647 13.845852 37.07479 1 3467 1 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 0 -4.3459206 13.242004 38.37117 1 3468 1 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 0 -3.5095842 11.97975 38.16995 1 3469 1 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 0 -3.8524246 11.133626 37.335037 1 3470 1 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 0 -5.658617 12.886584 39.081287 1 3471 1 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 0 -6.5937257 14.04748 39.423176 1 3472 1 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 0 -7.860141 13.511976 40.090584 1 3473 1 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 0 -5.897869 15.064022 40.31874 1 3474 1 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 0 -2.4173822 11.876712 38.930008 1 3475 1 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 0 -1.5127907 10.728579 38.851532 1 3476 1 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 0 -1.5215716 10.012434 40.193672 1 3477 1 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 0 -1.3245425 10.648684 41.24143 1 3478 1 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 0 -0.072984286 11.161318 38.50109 1 3479 1 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 0 0.81122947 9.941322 38.28402 1 3480 1 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 0 -0.070526145 12.072198 37.276047 1 3481 1 +ATOM N N . SER C0 3 21 . 21 SER C0 N 0 -1.7376052 8.705095 40.17553 1 3482 1 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 0 -1.7526321 7.948432 41.422806 1 3483 1 +ATOM C C . SER C0 3 21 . 21 SER C0 C 0 -0.37708974 8.007237 42.088856 1 3484 1 +ATOM O O . SER C0 3 21 . 21 SER C0 O 0 0.6573367 7.959114 41.418674 1 3485 1 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 0 -2.155167 6.4890213 41.167564 1 3486 1 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 0 -1.2113987 5.8310165 40.338306 1 3487 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 -0.37163222 8.13405 43.420822 1 3488 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 0.8854785 8.179981 44.16826 1 3489 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 1.6038496 6.837843 44.165306 1 3490 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 2.8387318 6.7949033 44.247383 1 3491 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 0.61830306 8.62662 45.604004 1 3492 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 0.17692816 10.087177 45.71634 1 3493 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 -0.042770993 10.47003 47.17732 1 3494 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 -0.46409363 11.933369 47.289577 1 3495 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 -0.7052354 12.322936 48.69638 1 3496 1 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 0 0.83338445 5.738056 44.078423 1 3497 1 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 0 1.4025682 4.3942842 44.09025 1 3498 1 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 0 1.0191275 3.6390157 42.826847 1 3499 1 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 0 -0.009463587 3.9224982 42.205315 1 3500 1 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 0 0.93487966 3.610687 45.323944 1 3501 1 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 0 1.2348298 4.3079586 46.65976 1 3502 1 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 0 2.7052612 4.4679136 46.930683 1 3503 1 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 0 3.0918894 5.4295616 47.61743 1 3504 1 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 0 3.5069451 3.6318684 46.450596 1 3505 1 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 0 1.8569005 2.6733956 42.454815 1 3506 1 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 0 1.577536 1.8356522 41.286606 1 3507 1 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 0 0.40009996 0.8967352 41.56798 1 3508 1 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 0 0.17397952 0.49487016 42.72295 1 3509 1 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 0 2.8143024 1.0221899 40.90129 1 3510 1 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 0 3.9719973 1.8671783 40.39628 1 3511 1 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 0 5.167241 0.98097825 40.05133 1 3512 1 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 0 6.323185 1.8184558 39.535995 1 3513 1 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 0 7.5043974 0.98354024 39.230904 1 3514 1 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 0 -0.3180276 0.53163606 40.504402 1 3515 1 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 0 -1.4115906 -0.41794652 40.65 1 3516 1 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 0 -0.87104213 -1.8462447 40.626045 1 3517 1 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 0 0.34679365 -2.056785 40.625824 1 3518 1 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 0 -2.4751024 -0.20849109 39.55877 1 3519 1 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 0 -1.9361866 -0.39903772 38.155304 1 3520 1 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 0 -0.9768917 -1.1447544 37.937027 1 3521 1 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 0 -2.5565543 0.2595092 37.186913 1 3522 1 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 0 -1.7524436 -2.8327076 40.642487 1 3523 1 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 0 -1.3292253 -4.2277822 40.699917 1 3524 1 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 0 -0.538044 -4.6564355 39.47123 1 3525 1 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 0 0.1664818 -5.672935 39.516747 1 3526 1 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 0 -2.5504687 -5.1381392 40.864014 1 3527 1 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 0 -3.5131004 -5.1125154 39.69406 1 3528 1 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 0 -4.6749153 -6.050088 39.930557 1 3529 1 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 0 -5.6505904 -6.089628 38.75949 1 3530 1 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 0 -6.336923 -4.7968245 38.5409 1 3531 1 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 0 -0.621035 -3.8852487 38.37812 1 3532 1 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 0 0.13033916 -4.1790557 37.165276 1 3533 1 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 0 1.4599187 -3.4169686 37.097473 1 3534 1 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 0 2.1447492 -3.4601817 36.073605 1 3535 1 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 0 -0.71109474 -3.856996 35.92829 1 3536 1 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 0 -1.97503 -4.6880836 35.850685 1 3537 1 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 0 -1.8961587 -5.9074974 36.125484 1 3538 1 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 0 -3.0411134 -4.131876 35.520554 1 3539 1 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 0 1.825248 -2.7377796 38.19227 1 3540 1 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 0 3.082766 -2.011723 38.24713 1 3541 1 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 0 3.0991316 -0.7170017 37.463844 1 3542 1 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 0 4.172353 -0.25703079 37.049965 1 3543 1 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 0 1.9338173 -0.095273145 37.269943 1 3544 1 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 0 1.8415544 1.155615 36.527065 1 3545 1 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 0 1.0957857 2.2077565 37.340282 1 3546 1 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 0 0.3406814 1.8790956 38.26135 1 3547 1 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 0 1.1463722 0.9346297 35.17986 1 3548 1 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 0 1.9126686 0.023066264 34.238033 1 3549 1 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 0 1.2477968 -0.058305405 32.879524 1 3550 1 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 0 2.0734234 -0.9007693 31.920097 1 3551 1 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 0 1.4722658 -0.93419147 30.573345 1 3552 1 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 0 1.3151245 3.4758763 36.974003 1 3553 1 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 0 0.60864294 4.5767403 37.60685 1 3554 1 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 0 -0.700207 4.8441415 36.875244 1 3555 1 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 0 -0.74663496 4.793421 35.63835 1 3556 1 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 0 1.4734355 5.8418474 37.615646 1 3557 1 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 0 2.7324748 5.696145 38.43949 1 3558 1 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 0 3.9354014 5.3239336 37.850765 1 3559 1 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 0 2.719373 5.9437017 39.802086 1 3560 1 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 0 5.0883727 5.1857653 38.60293 1 3561 1 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 0 3.8716104 5.805217 40.562996 1 3562 1 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 0 5.047727 5.4269905 39.9551 1 3563 1 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 0 6.1904182 5.291051 40.704994 1 3564 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 -1.7423716 5.129696 37.633152 1 3565 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 -3.0421646 5.4474936 37.05018 1 3566 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 -3.1305313 6.9392185 36.752808 1 3567 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 -2.6848886 7.7716284 37.54882 1 3568 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 -4.171031 5.0425673 37.99916 1 3569 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 -4.2508893 3.5456114 38.18875 1 3570 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 -4.128522 2.8118925 37.191048 1 3571 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 -4.4336996 3.1017008 39.340195 1 3572 1 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 0 -3.6957617 7.2948756 35.59854 1 3573 1 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 0 -3.88384 8.675408 35.174324 1 3574 1 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 0 -5.371555 8.939619 34.96455 1 3575 1 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 0 -6.0700397 8.10593 34.378174 1 3576 1 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 0 -3.1332269 8.963505 33.87049 1 3577 1 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 0 -1.6437106 8.611626 33.799294 1 3578 1 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 0 -1.120352 8.8810005 32.390327 1 3579 1 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 0 -0.84929883 9.386938 34.82914 1 3580 1 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 0 -5.842532 10.104246 35.417446 1 3581 1 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 0 -7.224758 10.510099 35.187252 1 3582 1 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 0 -7.2451935 11.997188 34.843468 1 3583 1 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 0 -6.5763693 12.799826 35.49847 1 3584 1 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 0 -8.122152 10.245752 36.416004 1 3585 1 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 0 -8.212276 8.743542 36.702007 1 3586 1 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 0 -9.525842 10.821954 36.185867 1 3587 1 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 0 -9.0793 8.403646 37.91329 1 3588 1 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 0 -7.987137 12.356644 33.81637 1 3589 1 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 0 -8.183465 13.751295 33.444283 1 3590 1 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 0 -9.624854 13.931557 32.983055 1 3591 1 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 0 -10.242847 12.992174 32.479633 1 3592 1 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 0 -7.2143283 14.175148 32.342064 1 3593 1 +ATOM N N . THR C0 3 35 . 35 THR C0 N 0 -10.163721 15.130296 33.1713 1 3594 1 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 0 -11.515619 15.43019 32.724808 1 3595 1 +ATOM C C . THR C0 3 35 . 35 THR C0 C 0 -11.454149 16.497272 31.638699 1 3596 1 +ATOM O O . THR C0 3 35 . 35 THR C0 O 0 -10.911806 17.583199 31.859701 1 3597 1 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 0 -12.39661 15.908331 33.887566 1 3598 1 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 0 -12.442221 14.888674 34.89602 1 3599 1 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 0 -13.811498 16.209465 33.412918 1 3600 1 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 0 -11.9876375 16.190601 30.473568 1 3601 1 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 0 -12.007546 17.103226 29.334557 1 3602 1 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 0 -13.44713 17.1903 28.838318 1 3603 1 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 0 -14.0417595 16.168041 28.467594 1 3604 1 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 0 -11.080419 16.618713 28.206455 1 3605 1 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 0 -11.166464 17.557278 27.009571 1 3606 1 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 0 -9.638174 16.509867 28.70176 1 3607 1 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 0 -14.002987 18.399872 28.836054 1 3608 1 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 0 -15.376701 18.627188 28.39541 1 3609 1 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 0 -16.351849 17.674877 29.085253 1 3610 1 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 0 -17.19417 17.035475 28.4542 1 3611 1 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 0 -15.487692 18.484047 26.87099 1 3612 1 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 0 -14.690583 19.537434 26.133293 1 3613 1 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 0 -14.582455 20.671272 26.644476 1 3614 1 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 0 -14.171237 19.239567 25.035515 1 3615 1 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 0 -16.206165 17.563055 30.39423 1 3616 1 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 0 -17.056036 16.747309 31.254402 1 3617 1 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 0 -16.888268 15.245726 31.041395 1 3618 1 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 0 -17.642338 14.459118 31.607807 1 3619 1 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 0 -18.540773 17.135178 31.087368 1 3620 1 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 0 -18.835207 18.587017 31.429485 1 3621 1 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 0 -20.325321 18.88055 31.28043 1 3622 1 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 0 -20.622345 20.341022 31.60281 1 3623 1 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 0 -22.067802 20.637615 31.449944 1 3624 1 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 0 -15.92024 14.853224 30.247862 1 3625 1 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 0 -15.645844 13.438433 30.019142 1 3626 1 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 0 -14.401733 13.021056 30.796494 1 3627 1 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 0 -13.3466425 13.655459 30.665665 1 3628 1 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 0 -15.444832 13.165529 28.528463 1 3629 1 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 0 -15.085033 11.719698 28.153683 1 3630 1 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 0 -14.661656 11.644962 26.69563 1 3631 1 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 0 -16.259777 10.792186 28.424389 1 3632 1 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 0 -14.530668 11.97476 31.598553 1 3633 1 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 0 -13.37804 11.473619 32.33851 1 3634 1 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 0 -12.566988 10.53536 31.452778 1 3635 1 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 0 -13.091362 9.551756 30.923752 1 3636 1 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 0 -13.820437 10.743134 33.609283 1 3637 1 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 0 -12.661805 10.305677 34.48459 1 3638 1 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 0 -13.118441 9.690788 35.796852 1 3639 1 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 0 -13.2650795 10.416421 36.79255 1 3640 1 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 0 -13.344637 8.464045 35.812126 1 3641 1 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 0 -11.294144 10.858897 31.286135 1 3642 1 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 0 -10.369637 10.033252 30.522415 1 3643 1 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 0 -9.466456 9.2806 31.485657 1 3644 1 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 0 -9.034073 9.834514 32.4981 1 3645 1 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 0 -9.525014 10.897172 29.580132 1 3646 1 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 0 -10.2857485 11.862983 28.673475 1 3647 1 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 0 -9.305485 12.684016 27.844528 1 3648 1 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 0 -11.25824 11.121391 27.780865 1 3649 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 -9.169474 8.034521 31.17051 1 3650 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 -8.341661 7.2052774 32.03373 1 3651 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 -7.2154036 6.548725 31.241898 1 3652 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 -7.364333 6.24219 30.058235 1 3653 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 -9.186287 6.1272616 32.720932 1 3654 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 -10.241468 6.6821156 33.66286 1 3655 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 -10.978491 5.5648284 34.376892 1 3656 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 -11.9902725 6.1331863 35.36715 1 3657 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 -12.680384 5.0612903 36.103783 1 3658 1 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 0 -6.109729 6.3369374 31.931356 1 3659 1 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 0 -4.9787393 5.648344 31.329927 1 3660 1 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 0 -4.0029874 5.201728 32.39756 1 3661 1 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 0 -4.192704 5.463344 33.585667 1 3662 1 +ATOM N N . THR C0 3 44 . 44 THR C0 N 0 -2.948769 4.4887304 31.962866 1 3663 1 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 0 -1.8804435 4.0782595 32.863136 1 3664 1 +ATOM C C . THR C0 3 44 . 44 THR C0 C 0 -0.5356199 4.4093695 32.224495 1 3665 1 +ATOM O O . THR C0 3 44 . 44 THR C0 O 0 -0.43371636 4.5681047 31.008045 1 3666 1 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 0 -1.9387275 2.5724554 33.183727 1 3667 1 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 0 -1.8572202 1.8271629 31.968334 1 3668 1 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 0 -3.2138157 2.2143104 33.923344 1 3669 1 +ATOM N N . SER C0 3 45 . 45 SER C0 N 0 0.47465742 4.5198293 33.06962 1 3670 1 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 0 1.7976539 4.887476 32.58834 1 3671 1 +ATOM C C . SER C0 3 45 . 45 SER C0 C 0 2.8707392 4.2720575 33.472145 1 3672 1 +ATOM O O . SER C0 3 45 . 45 SER C0 O 0 2.662359 4.083606 34.67301 1 3673 1 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 0 1.9547316 6.4143934 32.56577 1 3674 1 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 0 3.264443 6.796733 32.184883 1 3675 1 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 0 4.034584 3.967995 32.871964 1 3676 1 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 0 5.1909785 3.5466485 33.65629 1 3677 1 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 0 5.8518257 4.7345066 34.345528 1 3678 1 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 0 6.7234755 4.542365 35.193287 1 3679 1 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 0 6.223034 2.8434074 32.761086 1 3680 1 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 0 5.734682 1.5103154 32.23552 1 3681 1 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 0 5.044339 0.78799313 32.985992 1 3682 1 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 0 6.047702 1.1795309 31.072433 1 3683 1 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 0 5.4522123 5.937301 33.973457 1 3684 1 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 0 6.0063677 7.160503 34.54006 1 3685 1 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 0 5.029525 7.7699227 35.535465 1 3686 1 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 0 3.8186612 7.562372 35.425133 1 3687 1 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 0 6.32767 8.160192 33.426254 1 3688 1 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 0 7.214033 7.584072 32.334206 1 3689 1 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 0 7.3286767 8.527267 31.152416 1 3690 1 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 0 8.112251 7.892975 30.023668 1 3691 1 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 0 8.154838 8.7646475 28.824896 1 3692 1 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 0 5.56 8.552858 36.495132 1 3693 1 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 0 4.712029 9.165281 37.503304 1 3694 1 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 0 4.686206 10.685358 37.423477 1 3695 1 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 0 4.266096 11.347157 38.37325 1 3696 1 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 0 5.1395674 8.713453 38.90966 1 3697 1 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 0 6.4979687 9.271198 39.320496 1 3698 1 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 0 7.238682 9.815443 38.499443 1 3699 1 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 0 6.833932 9.123254 40.592346 1 3700 1 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 0 5.112195 11.254667 36.28606 1 3701 1 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 0 5.1750355 12.705776 36.148285 1 3702 1 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 0 3.9437516 13.306006 35.46691 1 3703 1 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 0 3.8845332 14.518893 35.27385 1 3704 1 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 0 6.4494934 13.117546 35.40411 1 3705 1 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 0 6.4319196 12.710053 33.94477 1 3706 1 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 0 5.564048 11.96036 33.49706 1 3707 1 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 0 7.3957314 13.197273 33.188457 1 3708 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 2.9786599 12.507473 35.100197 1 3709 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 1.7812755 12.98289 34.42993 1 3710 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 1.7587738 12.745323 32.933716 1 3711 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 0.72913164 12.986689 32.29299 1 3712 1 +ATOM N N . SER C0 3 51 . 51 SER C0 N 0 2.8674002 12.299481 32.34606 1 3713 1 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 0 2.9042864 12.018435 30.91762 1 3714 1 +ATOM C C . SER C0 3 51 . 51 SER C0 C 0 2.2395382 10.674086 30.6321 1 3715 1 +ATOM O O . SER C0 3 51 . 51 SER C0 O 0 2.2102876 9.790782 31.485352 1 3716 1 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 0 4.3457317 12.027293 30.400932 1 3717 1 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 0 5.092563 10.976635 30.969303 1 3718 1 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 0 1.7084615 10.546177 29.42511 1 3719 1 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 0 1.0703878 9.2953005 29.059177 1 3720 1 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 0 -0.12245104 9.509855 28.146357 1 3721 1 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 0 -0.31771585 10.5922165 27.590721 1 3722 1 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 0 -0.9112544 8.460123 27.982788 1 3723 1 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 0 -2.074071 8.490368 27.109684 1 3724 1 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 0 -3.3179536 8.144236 27.921665 1 3725 1 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 0 -3.3171625 7.177755 28.690071 1 3726 1 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 0 -1.9152827 7.4982376 25.935806 1 3727 1 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 0 -3.1614673 7.4940324 25.066181 1 3728 1 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 0 -0.69158185 7.8501425 25.106813 1 3729 1 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 0 -4.3719068 8.947924 27.7707 1 3730 1 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 0 -5.6497335 8.710709 28.43305 1 3731 1 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 0 -6.738522 8.622751 27.378622 1 3732 1 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 0 -6.6902714 9.330679 26.364857 1 3733 1 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 0 -5.974077 9.834263 29.422874 1 3734 1 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 0 -4.986585 10.098045 30.560171 1 3735 1 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 0 -5.704778 10.742241 31.740881 1 3736 1 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 0 -3.834941 10.969385 30.085451 1 3737 1 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 0 -7.723004 7.7815437 27.626036 1 3738 1 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 0 -8.783672 7.5673156 26.64837 1 3739 1 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 0 -10.160954 7.539269 27.313969 1 3740 1 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 0 -10.285341 7.2192354 28.494724 1 3741 1 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 0 -8.554023 6.263673 25.883955 1 3742 1 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 0 -7.2660966 6.2532415 25.08383 1 3743 1 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 0 -7.013755 4.9376507 24.379272 1 3744 1 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 0 -6.2977753 4.930093 23.359192 1 3745 1 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 0 -7.5361395 3.909882 24.841642 1 3746 1 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 0 -11.180828 7.867451 26.53064 1 3747 1 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 0 -12.556852 7.811937 26.986685 1 3748 1 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 0 -13.508948 7.7355537 25.809689 1 3749 1 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 0 -13.106341 7.918025 24.656128 1 3750 1 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 0 -14.780799 7.4571705 26.09711 1 3751 1 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 0 -15.804371 7.329526 25.06789 1 3752 1 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 0 -16.955772 8.271852 25.394543 1 3753 1 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 0 -17.461723 8.279597 26.525349 1 3754 1 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 0 -16.319592 5.8785114 24.960659 1 3755 1 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 0 -17.372858 5.7651763 23.866936 1 3756 1 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 0 -15.167389 4.923107 24.693516 1 3757 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 -17.368149 9.074404 24.394857 1 3758 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 -18.46356 10.018123 24.582697 1 3759 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 -19.81981 9.331966 24.408295 1 3760 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 -19.896173 8.179581 23.955671 1 3761 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 -18.333757 11.184645 23.59713 1 3762 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 -17.075817 12.013945 23.80491 1 3763 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 -16.882788 13.0373955 22.692627 1 3764 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 -17.887589 14.165001 22.776188 1 3765 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 -17.607025 15.205412 21.767351 1 3766 1 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 0 -20.897045 10.046246 24.754797 1 3767 1 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 0 -22.243832 9.482811 24.671484 1 3768 1 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 0 -22.614716 9.074982 23.246721 1 3769 1 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 0 -23.346518 8.102575 23.048885 1 3770 1 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 0 -23.264334 10.474053 25.220346 1 3771 1 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 0 -22.111082 9.81871 22.250826 1 3772 1 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 0 -22.407986 9.485998 20.862606 1 3773 1 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 0 -21.473347 8.409077 20.30679 1 3774 1 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 0 -21.451511 8.17124 19.100002 1 3775 1 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 0 -22.352613 10.741774 19.976318 1 3776 1 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 0 -20.962753 11.3380785 19.873634 1 3777 1 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 0 -20.024002 10.813843 20.514101 1 3778 1 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 0 -20.800282 12.333521 19.135592 1 3779 1 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 0 -20.70155 7.791566 21.209871 1 3780 1 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 0 -19.767237 6.7108755 20.913538 1 3781 1 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 0 -18.48893 7.178047 20.217556 1 3782 1 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 0 -17.673635 6.352648 19.802723 1 3783 1 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 0 -20.448334 5.592841 20.112577 1 3784 1 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 0 -21.60572 4.9572225 20.867727 1 3785 1 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 0 -22.190964 3.7824016 20.104002 1 3786 1 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 0 -23.355572 3.1848764 20.89141 1 3787 1 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 0 -23.955524 2.0472608 20.167542 1 3788 1 +ATOM N N . SER C0 3 62 . 62 SER C0 N 0 -18.328259 8.512428 20.068682 1 3789 1 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 0 -17.04626 9.034348 19.611643 1 3790 1 +ATOM C C . SER C0 3 62 . 62 SER C0 C 0 -15.996652 8.717269 20.66938 1 3791 1 +ATOM O O . SER C0 3 62 . 62 SER C0 O 0 -16.302416 8.633573 21.862635 1 3792 1 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 0 -17.113884 10.5419445 19.377436 1 3793 1 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 0 -18.04121 10.875392 18.37361 1 3794 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 -14.764989 8.542776 20.245289 1 3795 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 -13.687983 8.198307 21.164574 1 3796 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 -12.710352 9.358451 21.290745 1 3797 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 -12.410128 10.045313 20.305567 1 3798 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 -12.980003 6.922379 20.705784 1 3799 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 -13.934322 5.7382965 20.66003 1 3800 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 -13.249469 4.4418774 20.273314 1 3801 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 -14.258631 3.2931066 20.284286 1 3802 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 -13.646763 2.0225582 19.89805 1 3803 1 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 0 -12.251816 9.604521 22.51883 1 3804 1 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 0 -11.370054 10.72604 22.825579 1 3805 1 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 0 -10.042217 10.188733 23.350136 1 3806 1 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 0 -10.016427 9.282715 24.185823 1 3807 1 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 0 -12.005594 11.675844 23.859371 1 3808 1 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 0 -11.092636 12.86092 24.125391 1 3809 1 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 0 -13.373145 12.141968 23.37691 1 3810 1 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 0 -8.95198 10.768545 22.863422 1 3811 1 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 0 -7.6154275 10.355158 23.268665 1 3812 1 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 0 -6.7993393 11.596313 23.619492 1 3813 1 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 0 -6.6742992 12.511591 22.802591 1 3814 1 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 0 -6.932312 9.563509 22.147099 1 3815 1 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 0 -5.527275 9.087244 22.47309 1 3816 1 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 0 -4.958433 8.305692 21.293697 1 3817 1 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 0 -3.5367613 7.847996 21.547215 1 3818 1 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 0 -3.0128918 7.0759497 20.399637 1 3819 1 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 0 -6.279622 11.630579 24.845383 1 3820 1 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 0 -5.4218225 12.718519 25.304258 1 3821 1 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 0 -4.0051517 12.194114 25.473198 1 3822 1 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 0 -3.7787302 11.258745 26.246922 1 3823 1 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 0 -5.9356184 13.2866 26.633347 1 3824 1 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 0 -5.064848 14.350531 27.300695 1 3825 1 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 0 -5.592855 14.680213 28.69283 1 3826 1 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 0 -4.980686 15.611263 26.448006 1 3827 1 +ATOM N N . THR C0 3 67 . 67 THR C0 N 0 -3.0700989 12.768467 24.739342 1 3828 1 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 0 -1.6698691 12.381069 24.839672 1 3829 1 +ATOM C C . THR C0 3 67 . 67 THR C0 C 0 -0.88364005 13.514069 25.50059 1 3830 1 +ATOM O O . THR C0 3 67 . 67 THR C0 O 0 -0.93015367 14.655727 25.044573 1 3831 1 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 0 -1.0785477 12.066484 23.45899 1 3832 1 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 0 -1.843995 11.029631 22.83908 1 3833 1 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 0 0.37247115 11.619292 23.574469 1 3834 1 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 0 -0.18996426 13.185993 26.582378 1 3835 1 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 0 0.6337018 14.142608 27.313354 1 3836 1 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 0 2.0932026 13.7895355 27.047218 1 3837 1 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 0 2.525352 12.673518 27.334063 1 3838 1 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 0 0.33003056 14.095978 28.822155 1 3839 1 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 0 -1.172837 14.292416 29.064226 1 3840 1 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 0 1.1518521 15.147148 29.566853 1 3841 1 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 0 -1.6378279 13.875211 30.45431 1 3842 1 +ATOM N N . SER C0 3 69 . 69 SER C0 N 0 2.862112 14.738144 26.480717 1 3843 1 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 0 4.2432804 14.475883 26.098598 1 3844 1 +ATOM C C . SER C0 3 69 . 69 SER C0 C 0 5.1161633 14.18848 27.322012 1 3845 1 +ATOM O O . SER C0 3 69 . 69 SER C0 O 0 4.809563 14.5942135 28.442959 1 3846 1 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 0 4.821316 15.654564 25.313148 1 3847 1 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 0 4.8584056 16.83307 26.101618 1 3848 1 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 0 6.2306876 13.475929 27.08727 1 3849 1 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 0 7.1257324 13.079992 28.168598 1 3850 1 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 0 7.6518927 14.2775955 28.957947 1 3851 1 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 0 7.816399 14.19376 30.169586 1 3852 1 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 0 8.306834 12.268704 27.620173 1 3853 1 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 0 7.920908 10.85846 27.226978 1 3854 1 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 0 6.7919006 10.427856 27.540583 1 3855 1 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 0 8.754593 10.172136 26.5975 1 3856 1 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 0 7.9282994 15.405888 28.266962 1 3857 1 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 0 8.436993 16.591583 28.942286 1 3858 1 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 0 7.328041 17.485477 29.487026 1 3859 1 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 0 7.611783 18.558823 30.01662 1 3860 1 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 0 9.355033 17.396938 28.009443 1 3861 1 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 0 8.625428 17.95963 26.79749 1 3862 1 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 0 7.4010134 17.735798 26.651941 1 3863 1 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 0 9.286877 18.637512 25.979832 1 3864 1 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 0 6.0852985 17.06041 29.365452 1 3865 1 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 0 4.893057 17.774355 29.813732 1 3866 1 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 0 4.705669 19.117887 29.112953 1 3867 1 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 0 3.9145179 19.945446 29.561127 1 3868 1 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 0 4.90853 17.984268 31.336643 1 3869 1 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 0 5.0673304 16.732437 32.189667 1 3870 1 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 0 4.9806566 17.103313 33.67031 1 3871 1 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 0 4.0148535 15.702605 31.841942 1 3872 1 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 0 5.421217 19.331123 28.0085 1 3873 1 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 0 5.362189 20.597157 27.300486 1 3874 1 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 0 4.30886 20.678476 26.222288 1 3875 1 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 0 4.155638 21.724117 25.5837 1 3876 1 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 0 3.5689464 19.598053 26.00519 1 3877 1 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 0 2.580422 19.579985 24.931885 1 3878 1 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 0 1.489751 18.5602 25.226234 1 3879 1 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 0 1.7690203 17.484068 25.772278 1 3880 1 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 0 3.2650445 19.251368 23.607002 1 3881 1 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 0 2.3642545 19.310501 22.392195 1 3882 1 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 0 3.1380296 19.070015 21.111134 1 3883 1 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 0 3.8880842 19.927309 20.65025 1 3884 1 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 0 2.983029 17.871908 20.559807 1 3885 1 +ATOM N N . THR C0 3 75 . 75 THR C0 N 0 0.2584006 18.90921 24.87179 1 3886 1 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 0 -0.83729404 17.955254 24.92241 1 3887 1 +ATOM C C . THR C0 3 75 . 75 THR C0 C 0 -1.4713851 17.851246 23.53873 1 3888 1 +ATOM O O . THR C0 3 75 . 75 THR C0 O 0 -1.4998057 18.826897 22.778515 1 3889 1 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 0 -1.9286448 18.35001 25.940231 1 3890 1 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 0 -2.4955122 19.610899 25.57182 1 3891 1 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 0 -1.3627989 18.43372 27.34652 1 3892 1 +ATOM N N . THR C0 3 76 . 76 THR C0 N 0 -1.9542315 16.649216 23.221146 1 3893 1 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 0 -2.6725345 16.417898 21.976704 1 3894 1 +ATOM C C . THR C0 3 76 . 76 THR C0 C 0 -4.020464 15.795975 22.332243 1 3895 1 +ATOM O O . THR C0 3 76 . 76 THR C0 O 0 -4.06531 14.731942 22.947897 1 3896 1 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 0 -1.8900063 15.486067 21.043295 1 3897 1 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 0 -0.6129168 16.058268 20.752022 1 3898 1 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 0 -2.646851 15.25432 19.744503 1 3899 1 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 0 -5.1028266 16.47845 21.962257 1 3900 1 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 0 -6.4425225 15.989205 22.23375 1 3901 1 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 0 -7.108556 15.6252 20.910923 1 3902 1 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 0 -7.316776 16.496124 20.04978 1 3903 1 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 0 -7.273852 17.046047 22.973005 1 3904 1 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 0 -8.677833 16.613773 23.402945 1 3905 1 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 0 -9.466442 17.814808 23.91367 1 3906 1 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 0 -8.609968 15.524888 24.459381 1 3907 1 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 0 -7.4271784 14.353998 20.749073 1 3908 1 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 0 -7.9945564 13.856217 19.504501 1 3909 1 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 0 -9.370944 13.2491255 19.750456 1 3910 1 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 0 -9.586645 12.563181 20.749718 1 3911 1 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 0 -7.079446 12.804767 18.870195 1 3912 1 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 0 -5.720874 13.339244 18.453651 1 3913 1 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 0 -4.748082 12.236563 18.083694 1 3914 1 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 0 -4.355225 12.14546 16.908707 1 3915 1 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 0 -4.3923507 11.44712 18.984476 1 3916 1 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 0 -10.297939 13.519411 18.822752 1 3917 1 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 0 -11.620249 12.91372 18.85861 1 3918 1 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 0 -11.783737 12.09336 17.586433 1 3919 1 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 0 -11.508855 12.580663 16.48608 1 3920 1 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 0 -12.739225 13.974667 18.963753 1 3921 1 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 0 -14.097652 13.308274 19.02922 1 3922 1 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 0 -12.512011 14.8643875 20.186161 1 3923 1 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 0 -12.215192 10.851151 17.738132 1 3924 1 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 0 -12.36526 9.917623 16.62493 1 3925 1 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 0 -13.820135 9.488947 16.464273 1 3926 1 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 0 -14.61281 9.575455 17.402 1 3927 1 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 0 -11.517237 8.667852 16.85401 1 3928 1 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 0 -10.0482435 8.920969 17.031815 1 3929 1 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 0 -9.52709 9.129364 18.302874 1 3930 1 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 0 -9.195888 8.9465065 15.947315 1 3931 1 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 0 -8.17153 9.359417 18.473873 1 3932 1 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 0 -7.8473644 9.172871 16.114582 1 3933 1 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 0 -7.326848 9.379702 17.38054 1 3934 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 -14.129825 8.982858 15.262273 1 3935 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 -15.411833 8.323951 15.0683565 1 3936 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 -15.436745 7.0467095 15.897018 1 3937 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 -14.442983 6.66842 16.520882 1 3938 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 -15.637837 8.0090885 13.582731 1 3939 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 -15.824825 9.246748 12.714895 1 3940 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 -15.90173 8.8992815 11.230291 1 3941 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 -17.194439 8.213076 10.865631 1 3942 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 -17.31068 8.018322 9.402369 1 3943 1 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 0 -16.561163 6.339627 15.880067 1 3944 1 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 0 -16.733932 5.1418176 16.701138 1 3945 1 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 0 -15.676338 4.0787015 16.408237 1 3946 1 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 0 -15.330011 3.2891722 17.287876 1 3947 1 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 0 -18.143833 4.5680733 16.5051 1 3948 1 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 0 -18.446499 3.3586004 17.376907 1 3949 1 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 0 -19.864681 2.8479927 17.20505 1 3950 1 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 0 -20.623848 3.4440114 16.406872 1 3951 1 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 0 -20.235025 1.85145 17.868732 1 3952 1 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 0 -15.131994 4.0638566 15.176621 1 3953 1 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 0 -14.140442 3.0553355 14.830939 1 3954 1 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 0 -12.794201 3.2884936 15.525132 1 3955 1 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 0 -11.914404 2.4279583 15.471891 1 3956 1 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 0 -13.952396 2.956932 13.31135 1 3957 1 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 0 -13.515033 4.2625513 12.661572 1 3958 1 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 0 -12.920076 5.124912 13.351082 1 3959 1 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 0 -13.754375 4.420912 11.442737 1 3960 1 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 0 -12.644783 4.441987 16.189499 1 3961 1 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 0 -11.431736 4.739682 16.921879 1 3962 1 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 0 -10.22885 5.059613 16.059364 1 3963 1 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 0 -9.109962 5.178849 16.582012 1 3964 1 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 0 -10.441614 5.234453 14.760588 1 3965 1 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 0 -9.360389 5.5009837 13.821808 1 3966 1 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 0 -9.580154 6.7615185 13.010766 1 3967 1 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 0 -8.63795 7.5263877 12.788297 1 3968 1 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 0 -9.181393 4.3110566 12.8683605 1 3969 1 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 0 -8.877587 2.9914784 13.560694 1 3970 1 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 0 -8.92487 1.8457344 12.56662 1 3971 1 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 0 -8.746256 0.51070976 13.258642 1 3972 1 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 0 -8.897901 -0.5966942 12.302463 1 3973 1 +ATOM N N . THR C0 3 86 . 86 THR C0 N 0 -10.8087635 6.9920316 12.553862 1 3974 1 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 0 -11.11969 8.142622 11.71945 1 3975 1 +ATOM C C . THR C0 3 86 . 86 THR C0 C 0 -11.170404 9.406752 12.575663 1 3976 1 +ATOM O O . THR C0 3 86 . 86 THR C0 O 0 -12.01055 9.527652 13.465908 1 3977 1 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 0 -12.455492 7.94495 10.991432 1 3978 1 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 0 -12.429115 6.7107778 10.277118 1 3979 1 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 0 -12.726482 9.087694 10.027173 1 3980 1 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 0 -10.287584 10.365068 12.2691765 1 3981 1 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 0 -10.154575 11.568956 13.077404 1 3982 1 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 0 -11.278072 12.563171 12.782315 1 3983 1 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 0 -11.590937 12.840345 11.61972 1 3984 1 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 0 -8.792357 12.210741 12.814437 1 3985 1 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 0 -8.301143 13.286797 13.779391 1 3986 1 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 0 -6.9268866 13.765741 13.324101 1 3987 1 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 0 -8.25245 12.766018 15.203779 1 3988 1 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 0 -11.87438 13.093886 13.846737 1 3989 1 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 0 -12.90872 14.112099 13.748622 1 3990 1 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 0 -12.327875 15.489367 14.059088 1 3991 1 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 0 -12.623339 16.466042 13.365195 1 3992 1 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 0 -14.085821 13.797034 14.699941 1 3993 1 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 0 -15.088182 14.940844 14.706087 1 3994 1 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 0 -14.752035 12.486994 14.300714 1 3995 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 -11.506285 15.578642 15.102288 1 3996 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 -10.848531 16.823505 15.470964 1 3997 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 -9.548678 16.524406 16.191885 1 3998 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 -9.374378 15.440573 16.75813 1 3999 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 -11.754378 17.699993 16.341593 1 4000 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 -11.989974 17.10635 17.596313 1 4001 1 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 0 -8.649281 17.513294 16.174204 1 4002 1 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 0 -7.3545036 17.365135 16.825275 1 4003 1 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 0 -6.875213 18.72761 17.294222 1 4004 1 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 0 -6.886103 19.687508 16.522629 1 4005 1 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 0 -6.323819 16.753025 15.864339 1 4006 1 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 0 -4.9253197 16.623472 16.455807 1 4007 1 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 0 -3.968481 15.987487 15.455553 1 4008 1 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 0 -2.5740752 15.830505 16.040009 1 4009 1 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 0 -1.665587 15.182233 15.082786 1 4010 1 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 0 -6.464759 18.813072 18.55795 1 4011 1 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 0 -5.9170403 20.047897 19.109138 1 4012 1 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 0 -4.595445 19.762264 19.799892 1 4013 1 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 0 -4.5244823 18.896305 20.671837 1 4014 1 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 0 -6.888319 20.708328 20.096241 1 4015 1 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 0 -6.3618603 22.03562 20.63845 1 4016 1 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 0 -7.39752 22.76299 21.480715 1 4017 1 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 0 -6.8623085 24.114805 21.940928 1 4018 1 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 0 -7.8727827 24.865395 22.708841 1 4019 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 -3.5609107 20.485577 19.39064 1 4020 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 -2.2399967 20.377235 20.000874 1 4021 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 -1.9497533 21.697235 20.708046 1 4022 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 -1.9998363 22.761375 20.083237 1 4023 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 -1.1469285 20.082 18.956425 1 4024 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 0.21573323 19.963875 19.629654 1 4025 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 -1.4863329 18.813946 18.185673 1 4026 1 +ATOM N N . THR C0 3 93 . 93 THR C0 N 0 -1.6663649 21.644783 21.995575 1 4027 1 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 0 -1.4073294 22.834583 22.798578 1 4028 1 +ATOM C C . THR C0 3 93 . 93 THR C0 C 0 -0.024266945 22.737415 23.434313 1 4029 1 +ATOM O O . THR C0 3 93 . 93 THR C0 O 0 0.3087662 21.719494 24.036894 1 4030 1 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 0 -2.4709382 23.012032 23.892502 1 4031 1 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 0 -3.7697332 23.030373 23.298561 1 4032 1 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 0 -2.2523332 24.315578 24.659966 1 4033 1 +ATOM N N . SER C0 3 94 . 94 SER C0 N 0 0.76639533 23.803976 23.28355 1 4034 1 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 0 2.120604 23.836803 23.815687 1 4035 1 +ATOM C C . SER C0 3 94 . 94 SER C0 C 0 2.1896935 24.665916 25.097284 1 4036 1 +ATOM O O . SER C0 3 94 . 94 SER C0 O 0 1.2934964 25.462582 25.390676 1 4037 1 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 0 3.0952487 24.400066 22.780064 1 4038 1 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 0 3.1409225 23.588425 21.626461 1 4039 1 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 0 3.2689574 24.49758 25.846775 1 4040 1 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 0 3.4418936 25.181019 27.118492 1 4041 1 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 0 3.4481428 26.699982 26.962608 1 4042 1 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 0 3.0376096 27.422024 27.87643 1 4043 1 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 0 4.740744 24.706072 27.789768 1 4044 1 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 0 4.947069 25.240564 29.19021 1 4045 1 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 0 6.2475386 24.713173 29.793736 1 4046 1 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 0 6.1765018 23.225338 30.066784 1 4047 1 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 0 7.4101443 22.720749 30.728683 1 4048 1 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 0 3.9072266 27.218325 25.81009 1 4049 1 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 0 3.9572024 28.66004 25.591757 1 4050 1 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 0 2.6081152 29.24341 25.171894 1 4051 1 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 0 2.539888 30.397022 24.746845 1 4052 1 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 0 5.036211 29.018246 24.56126 1 4053 1 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 0 4.7142634 28.534931 23.157291 1 4054 1 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 0 3.6872373 27.841301 22.965073 1 4055 1 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 0 5.491489 28.854324 22.235048 1 4056 1 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 0 1.5616939 28.457325 25.270138 1 4057 1 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 0 0.17604883 28.820354 24.962635 1 4058 1 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 0 -0.15492484 28.820745 23.473694 1 4059 1 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 0 -1.2824745 29.132315 23.097134 1 4060 1 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 0 -0.19061112 30.175426 25.582441 1 4061 1 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 0 -0.08580481 30.202595 27.099216 1 4062 1 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 0 -0.5068364 31.56371 27.641565 1 4063 1 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 0 -0.35522902 31.601444 29.157063 1 4064 1 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 0 -0.71434987 32.925087 29.697355 1 4065 1 +ATOM N N . SER C0 3 98 . 98 SER C0 N 0 0.8217089 28.496422 22.616615 1 4066 1 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 0 0.509423 28.354858 21.201668 1 4067 1 +ATOM C C . SER C0 3 98 . 98 SER C0 C 0 -0.24997753 27.048672 20.98905 1 4068 1 +ATOM O O . SER C0 3 98 . 98 SER C0 O 0 -0.08445904 26.08876 21.74074 1 4069 1 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 0 1.7827868 28.383352 20.348206 1 4070 1 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 0 2.6162448 27.277943 20.631926 1 4071 1 +ATOM N N . SER C0 3 99 . 99 SER C0 N 0 -1.1025362 27.04808 19.956299 1 4072 1 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 0 -1.8694261 25.839792 19.694918 1 4073 1 +ATOM C C . SER C0 3 99 . 99 SER C0 C 0 -2.294349 25.773232 18.230606 1 4074 1 +ATOM O O . SER C0 3 99 . 99 SER C0 O 0 -2.30768 26.789127 17.52698 1 4075 1 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 0 -3.1099422 25.758308 20.59019 1 4076 1 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 0 -4.053848 26.746912 20.240196 1 4077 1 +ATOM N N . THR C0 3 100 . 100 THR C0 N 0 -2.6075504 24.561478 17.798773 1 4078 1 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 0 -3.223084 24.340258 16.500515 1 4079 1 +ATOM C C . THR C0 3 100 . 100 THR C0 C 0 -4.4266243 23.426195 16.711973 1 4080 1 +ATOM O O . THR C0 3 100 . 100 THR C0 O 0 -4.337414 22.431587 17.441458 1 4081 1 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 0 -2.2567008 23.691086 15.489111 1 4082 1 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 0 -1.816692 22.430023 15.985456 1 4083 1 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 0 -1.0465887 24.586481 15.246585 1 4084 1 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 0 -5.5418367 23.781036 16.092726 1 4085 1 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 0 -6.7386394 22.95747 16.178837 1 4086 1 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 0 -7.2896075 22.741701 14.777344 1 4087 1 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 0 -7.425169 23.702728 14.0047245 1 4088 1 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 0 -7.797998 23.610035 17.079668 1 4089 1 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 0 -9.046051 22.76037 17.21396 1 4090 1 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 0 -9.9984455 23.22778 18.292072 1 4091 1 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 0 -9.820592 24.348904 18.8168 1 4092 1 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 0 -10.928738 22.46586 18.64328 1 4093 1 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 0 -7.597465 21.498257 14.474578 1 4094 1 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 0 -8.112871 21.135857 13.167796 1 4095 1 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 0 -9.410036 20.349102 13.311388 1 4096 1 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 0 -9.55454 19.536663 14.224907 1 4097 1 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 0 -7.0985136 20.293598 12.38703 1 4098 1 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 0 -5.818318 21.032019 12.024649 1 4099 1 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 0 -4.7185287 20.096605 11.572481 1 4100 1 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 0 -4.2161913 20.25349 10.442743 1 4101 1 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 0 -4.3721266 19.188335 12.358133 1 4102 1 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 0 -10.33691 20.590649 12.39905 1 4103 1 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 0 -11.547134 19.788616 12.277039 1 4104 1 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 0 -11.551391 19.155262 10.899133 1 4105 1 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 0 -11.086473 19.758839 9.927529 1 4106 1 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 0 -12.804057 20.640213 12.495 1 4107 1 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 0 -12.937466 21.179062 13.911852 1 4108 1 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 0 -14.255759 21.914268 14.10231 1 4109 1 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 0 -14.382118 22.434315 15.5299425 1 4110 1 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 0 -15.650047 23.170986 15.737019 1 4111 1 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 0 -12.070066 17.930912 10.819857 1 4112 1 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 0 -11.98741 17.13358 9.600061 1 4113 1 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 0 -13.374376 16.779264 9.076713 1 4114 1 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 0 -14.298977 16.554949 9.863283 1 4115 1 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 0 -11.1809 15.8599205 9.863573 1 4116 1 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 0 -9.799843 16.1337 10.393685 1 4117 1 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 0 -9.6046 16.377337 11.750611 1 4118 1 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 0 -8.710585 16.177681 9.549415 1 4119 1 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 0 -8.335604 16.65861 12.236994 1 4120 1 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 0 -7.448801 16.45122 10.036369 1 4121 1 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 0 -7.2591877 16.689802 11.384567 1 4122 1 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 0 -13.499516 16.729115 7.7558193 1 4123 1 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 0 -14.773706 16.35146 7.1607924 1 4124 1 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 0 -14.865179 14.831047 7.0140595 1 4125 1 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 0 -13.959988 14.101655 7.425809 1 4126 1 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 0 -14.999964 17.05999 5.817506 1 4127 1 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 0 -14.006765 16.650776 4.7388434 1 4128 1 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 0 -13.370856 15.597712 4.8285747 1 4129 1 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 0 -13.89373 17.481697 3.7134614 1 4130 1 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 0 -15.955704 14.331034 6.438614 1 4131 1 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 0 -16.1829 12.891703 6.3706627 1 4132 1 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 0 -15.177315 12.177646 5.471776 1 4133 1 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 0 -15.039238 10.962963 5.57143 1 4134 1 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 0 -17.617804 12.594996 5.9105296 1 4135 1 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 0 -17.935743 13.0903225 4.5124035 1 4136 1 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 0 -19.369928 12.788065 4.0922694 1 4137 1 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 0 -20.037544 12.000511 4.7801 1 4138 1 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 0 -19.824997 13.34858 3.0605612 1 4139 1 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 0 -14.4638 12.9255295 4.5985723 1 4140 1 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 0 -13.433076 12.331298 3.7577963 1 4141 1 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 0 -12.0691 12.284618 4.4473567 1 4142 1 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 0 -11.103271 11.792866 3.8732924 1 4143 1 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 0 -13.297516 13.108304 2.4456162 1 4144 1 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 0 -14.520607 13.037598 1.5455308 1 4145 1 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 0 -14.252278 13.785918 0.24169984 1 4146 1 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 0 -15.463571 13.721898 -0.6700417 1 4147 1 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 0 -15.19281 14.397549 -1.9535899 1 4148 1 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 0 -12.008623 12.825096 5.6825914 1 4149 1 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 0 -10.7473135 12.883418 6.392764 1 4150 1 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 0 -9.882075 14.064474 6.0039043 1 4151 1 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 0 -8.688427 14.0823345 6.3056774 1 4152 1 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 0 -10.476545 15.086373 5.3473306 1 4153 1 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 0 -9.7730875 16.287088 4.9323354 1 4154 1 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 0 -9.985598 17.39904 5.9519954 1 4155 1 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 0 -11.053339 17.499031 6.550983 1 4156 1 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 0 -10.281059 16.758965 3.5615008 1 4157 1 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 0 -10.159352 15.7056 2.4707656 1 4158 1 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 0 -11.0030155 16.019403 1.2422538 1 4159 1 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 0 -10.747829 15.403184 0.18908703 1 4160 1 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 0 -11.914905 16.85833 1.3274822 1 4161 1 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 0 -8.9717 18.24442 6.1311464 1 4162 1 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 0 -9.1101055 19.373047 7.039536 1 4163 1 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 0 -10.163578 20.329271 6.486534 1 4164 1 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 0 -10.073639 20.765165 5.333573 1 4165 1 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 0 -7.776457 20.117716 7.23034 1 4166 1 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 0 -7.980474 21.352762 8.103699 1 4167 1 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 0 -6.7384424 19.197365 7.859454 1 4168 1 +ATOM N N . SER C0 3 111 . 111 SER C0 N 0 -11.156568 20.657196 7.296356 1 4169 1 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 0 -12.197028 21.596172 6.8996935 1 4170 1 +ATOM C C . SER C0 3 111 . 111 SER C0 C 0 -12.072481 22.93082 7.622385 1 4171 1 +ATOM O O . SER C0 3 111 . 111 SER C0 O 0 -12.510735 23.956314 7.101436 1 4172 1 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 0 -13.586864 21.002726 7.1623144 1 4173 1 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 0 -13.759066 20.68996 8.529001 1 4174 1 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 0 -11.477686 22.93903 8.819183 1 4175 1 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 0 -11.230564 24.144966 9.594343 1 4176 1 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 0 -9.884391 24.01122 10.28993 1 4177 1 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 0 -9.481956 22.911495 10.666063 1 4178 1 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 0 -12.321132 24.368774 10.659659 1 4179 1 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 0 -13.733276 24.46806 10.095293 1 4180 1 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 0 -14.787144 24.664 11.17524 1 4181 1 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 0 -15.975367 24.435528 10.900284 1 4182 1 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 0 -14.418268 25.049114 12.308597 1 4183 1 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 0 -9.215064 25.16169 10.461798 1 4184 1 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 0 -7.943391 25.146858 11.166765 1 4185 1 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 0 -7.7388372 26.476772 11.874729 1 4186 1 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 0 -7.962085 27.53962 11.284297 1 4187 1 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 0 -6.775362 24.877415 10.20436 1 4188 1 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 0 -5.4208922 24.742855 10.893293 1 4189 1 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 0 -4.343713 24.346268 9.887837 1 4190 1 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 0 -3.0025182 24.130117 10.574439 1 4191 1 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 0 -1.9767938 23.707829 9.610179 1 4192 1 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 0 -7.3526917 26.418245 13.139619 1 4193 1 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 0 -7.057833 27.61416 13.92285 1 4194 1 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 0 -5.6482687 27.487568 14.480633 1 4195 1 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 0 -5.3312793 26.503036 15.148981 1 4196 1 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 0 -8.062338 27.805433 15.083729 1 4197 1 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 0 -9.491062 27.919405 14.539779 1 4198 1 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 0 -7.6959476 29.054089 15.904909 1 4199 1 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 0 -10.55131 27.971338 15.628408 1 4200 1 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 0 -4.816289 28.490211 14.179709 1 4201 1 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 0 -3.4713223 28.557806 14.726768 1 4202 1 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 0 -3.4350195 29.71463 15.722292 1 4203 1 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 0 -3.6471448 30.866125 15.340485 1 4204 1 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 0 -2.4145699 28.77518 13.622639 1 4205 1 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 0 -2.4827497 27.63641 12.601732 1 4206 1 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 0 -1.0178704 28.900694 14.238567 1 4207 1 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 0 -1.650066 27.893015 11.3510275 1 4208 1 +ATOM N N . THR C0 3 116 . 116 THR C0 N 0 -3.1975803 29.39964 16.981705 1 4209 1 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 0 -3.0755568 30.419945 18.017597 1 4210 1 +ATOM C C . THR C0 3 116 . 116 THR C0 C 0 -1.5997459 30.616814 18.333187 1 4211 1 +ATOM O O . THR C0 3 116 . 116 THR C0 O 0 -0.9092682 29.671156 18.704695 1 4212 1 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 0 -3.8504205 30.023876 19.282936 1 4213 1 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 0 -5.229004 29.823406 18.955658 1 4214 1 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 0 -3.7396355 31.114271 20.349516 1 4215 1 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 0 -1.1233765 31.85661 18.154224 1 4216 1 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 0 0.26400447 32.16589 18.440727 1 4217 1 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 0 0.46791613 32.4171 19.928415 1 4218 1 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 0 -0.49313343 32.659523 20.666065 1 4219 1 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 0 0.7012667 33.39268 17.631958 1 4220 1 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 0 0.61960727 33.176384 16.134346 1 4221 1 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 0 0.56532085 34.514435 15.435869 1 4222 1 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 0 0.6358683 34.39347 13.978228 1 4223 1 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 0 0.07643784 35.253006 13.14026 1 4224 1 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 0 -0.61605 36.29035 13.605502 1 4225 1 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 0 0.20580623 35.079712 11.840469 1 4226 1 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 0 1.7247002 32.373432 20.362528 1 4227 1 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 0 2.0225677 32.550533 21.783401 1 4228 1 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 0 1.5420339 33.902054 22.304184 1 4229 1 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 0 1.2060057 34.02587 23.486246 1 4230 1 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 0 3.5166752 32.38854 22.02813 1 4231 1 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 0 1.5028235 34.924755 21.41964 1 4232 1 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 0 1.0695827 36.254173 21.846355 1 4233 1 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 0 -0.44930357 36.426857 21.823978 1 4234 1 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 0 -0.9454478 37.52195 22.09465 1 4235 1 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 0 1.7392215 37.342903 20.997723 1 4236 1 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 0 1.3395063 37.295937 19.537327 1 4237 1 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 0 0.45924863 36.48504 19.161709 1 4238 1 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 0 1.9037815 38.07803 18.748154 1 4239 1 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 0 -1.1823902 35.3755 21.519772 1 4240 1 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 0 -2.635593 35.41089 21.535656 1 4241 1 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 0 -3.2853897 35.747753 20.212082 1 4242 1 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 0 -4.5081005 35.62819 20.08483 1 4243 1 +ATOM N N . THR C0 3 121 . 121 THR C0 N 0 -2.5031424 36.18481 19.210209 1 4244 1 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 0 -3.0834255 36.42773 17.897068 1 4245 1 +ATOM C C . THR C0 3 121 . 121 THR C0 C 0 -3.35246 35.098587 17.208107 1 4246 1 +ATOM O O . THR C0 3 121 . 121 THR C0 O 0 -2.7483785 34.068058 17.546282 1 4247 1 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 0 -2.1716762 37.319534 17.024715 1 4248 1 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 0 -0.9319397 36.646767 16.802284 1 4249 1 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 0 -1.9039865 38.652397 17.715591 1 4250 1 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 0 -4.2598214 35.133263 16.216238 1 4251 1 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 0 -4.7001567 33.88039 15.614977 1 4252 1 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 0 -4.8077126 33.97724 14.101718 1 4253 1 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 0 -5.098613 35.053535 13.554914 1 4254 1 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 0 -6.079338 33.47164 16.153454 1 4255 1 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 0 -6.1612597 33.317093 17.65495 1 4256 1 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 0 -7.4724865 32.67351 18.073261 1 4257 1 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 0 -8.666624 33.39691 17.617561 1 4258 1 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 0 -9.157608 34.493515 18.198383 1 4259 1 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 0 -8.562071 35.021374 19.264809 1 4260 1 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 0 -10.249641 35.05916 17.71192 1 4261 1 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 0 -4.583486 32.84881 13.458918 1 4262 1 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 0 -4.942523 32.64853 12.062113 1 4263 1 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 0 -6.072233 31.630985 12.042417 1 4264 1 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 0 -5.9385366 30.544857 12.620369 1 4265 1 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 0 -3.753074 32.13192 11.23636 1 4266 1 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 0 -2.6483169 33.14464 10.933683 1 4267 1 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 0 -1.4191817 32.421272 10.383167 1 4268 1 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 0 -3.1574814 34.173203 9.933429 1 4269 1 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 0 -7.183766 31.987469 11.40237 1 4270 1 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 0 -8.34753 31.11298 11.355894 1 4271 1 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 0 -8.698106 30.79697 9.908154 1 4272 1 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 0 -8.794207 31.705584 9.078513 1 4273 1 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 0 -9.550743 31.761932 12.04503 1 4274 1 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 0 -9.300663 32.090366 13.50996 1 4275 1 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 0 -10.49834 32.747303 14.182446 1 4276 1 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 0 -10.386671 33.10248 15.375705 1 4277 1 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 0 -11.550568 32.903214 13.530045 1 4278 1 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 0 -8.871113 29.51157 9.622505 1 4279 1 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 0 -9.222685 29.06109 8.281601 1 4280 1 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 0 -10.523235 28.26671 8.332194 1 4281 1 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 0 -10.683039 27.395672 9.189723 1 4282 1 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 0 -8.109018 28.201002 7.690591 1 4283 1 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 0 -6.759476 28.887672 7.693553 1 4284 1 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 0 -5.7705503 28.528524 8.603853 1 4285 1 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 0 -6.479261 29.905197 6.7907677 1 4286 1 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 0 -4.534479 29.158886 8.607438 1 4287 1 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 0 -5.245178 30.539694 6.791389 1 4288 1 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 0 -4.2796936 30.158377 7.7011175 1 4289 1 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 0 -3.0576031 30.783056 7.70255 1 4290 1 +ATOM N N . THR C0 3 126 . 126 THR C0 N 0 -11.429029 28.55994 7.420795 1 4291 1 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 0 -12.687069 27.83271 7.322283 1 4292 1 +ATOM C C . THR C0 3 126 . 126 THR C0 C 0 -12.960021 27.485558 5.8628674 1 4293 1 +ATOM O O . THR C0 3 126 . 126 THR C0 O 0 -12.37949 28.075361 4.9491673 1 4294 1 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 0 -13.867966 28.647392 7.890335 1 4295 1 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 0 -13.953769 29.893562 7.2003927 1 4296 1 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 0 -13.692829 28.905354 9.381863 1 4297 1 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 0 -13.83838 26.510862 5.6599236 1 4298 1 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 0 -14.193432 26.096836 4.3156223 1 4299 1 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 0 -13.008737 25.606031 3.5034142 1 4300 1 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 0 -12.947338 25.843716 2.2977138 1 4301 1 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 0 -12.068106 24.92712 4.165603 1 4302 1 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 0 -10.883861 24.438522 3.4688907 1 4303 1 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 0 -11.285836 23.29737 2.530988 1 4304 1 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 0 -11.972 22.356222 2.930564 1 4305 1 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 0 -9.81017 23.968197 4.4629955 1 4306 1 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 0 -9.406973 25.120525 5.3879724 1 4307 1 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 0 -8.585327 23.439726 3.6965582 1 4308 1 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 0 -8.4979 24.695545 6.530094 1 4309 1 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 0 -10.847176 23.405907 1.2934108 1 4310 1 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 0 -11.157635 22.401539 0.28363615 1 4311 1 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 0 -9.974596 21.458115 0.08619532 1 4312 1 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 0 -8.89804 21.659435 0.6456357 1 4313 1 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 0 -11.544956 23.07696 -1.0316314 1 4314 1 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 0 -12.728215 24.014475 -0.8775227 1 4315 1 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 0 -13.145252 24.643806 -2.1721034 1 4316 1 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 0 -14.261915 25.651962 -1.9752581 1 4317 1 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 0 -15.485444 25.030544 -1.4318886 1 4318 1 +ATOM N N . SER C0 3 130 . 130 SER C0 N 0 -10.173214 20.415028 -0.7190218 1 4319 1 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 0 -9.157393 19.381937 -0.8864483 1 4320 1 +ATOM C C . SER C0 3 130 . 130 SER C0 C 0 -7.851525 19.920052 -1.4649804 1 4321 1 +ATOM O O . SER C0 3 130 . 130 SER C0 O 0 -6.793718 19.337093 -1.2284667 1 4322 1 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 0 -9.692576 18.253647 -1.765398 1 4323 1 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 0 -10.01796 18.726017 -3.0518491 1 4324 1 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 0 -7.9125443 21.032406 -2.2263336 1 4325 1 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 0 -6.700571 21.613947 -2.7882361 1 4326 1 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 0 -6.0220957 22.591278 -1.8294997 1 4327 1 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 0 -5.049268 23.237553 -2.200914 1 4328 1 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 0 -6.9874926 22.29965 -4.128907 1 4329 1 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 0 -7.9200783 23.500675 -3.9989285 1 4330 1 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 0 -8.354441 23.821793 -2.8684897 1 4331 1 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 0 -8.211025 24.122461 -5.03705 1 4332 1 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 0 -6.537897 22.694649 -0.6146605 1 4333 1 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 0 -5.9540544 23.553722 0.39472145 1 4334 1 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 0 -6.4715924 24.973396 0.3997556 1 4335 1 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 0 -6.0015397 25.779015 1.211841 1 4336 1 +ATOM N N . SER C0 3 133 . 133 SER C0 N 0 -7.4159403 25.328733 -0.47045755 1 4337 1 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 0 -7.9655485 26.67474 -0.5136118 1 4338 1 +ATOM C C . SER C0 3 133 . 133 SER C0 C 0 -9.109594 26.824646 0.48225716 1 4339 1 +ATOM O O . SER C0 3 133 . 133 SER C0 O 0 -9.740566 25.84082 0.8848155 1 4340 1 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 0 -8.44252 27.02243 -1.9268541 1 4341 1 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 0 -9.545899 26.22453 -2.2980945 1 4342 1 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 0 -9.346754 28.078573 0.8712821 1 4343 1 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 0 -10.426425 28.346333 1.8066258 1 4344 1 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 0 -10.448562 29.807182 2.2033794 1 4345 1 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 0 -9.769749 30.642588 1.5990703 1 4346 1 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 0 -11.243734 30.134268 3.2179956 1 4347 1 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 0 -11.313124 31.484924 3.7570095 1 4348 1 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 0 -10.310165 31.639496 4.8843136 1 4349 1 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 0 -9.966566 30.656002 5.5648212 1 4350 1 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 0 -12.724937 31.783993 4.2705927 1 4351 1 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 0 -13.799615 31.749472 3.207965 1 4352 1 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 0 -15.150303 32.139984 3.787663 1 4353 1 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 0 -16.246693 32.137115 2.734799 1 4354 1 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 0 -16.598602 30.756104 2.3186574 1 4355 1 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 0 -9.841069 32.87583 5.101361 1 4356 1 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 0 -8.840838 33.11593 6.1315236 1 4357 1 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 0 -9.153141 34.386032 6.916199 1 4358 1 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 0 -9.683057 35.355232 6.3709908 1 4359 1 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 0 -7.446684 33.211746 5.514806 1 4360 1 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 0 -8.815961 34.369278 8.190938 1 4361 1 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 0 -8.870767 35.534576 9.056967 1 4362 1 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 0 -7.5933385 35.577908 9.87162 1 4363 1 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 0 -7.104785 34.538925 10.318285 1 4364 1 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 0 -10.055567 35.471508 10.037063 1 4365 1 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 0 -11.430786 35.62089 9.446346 1 4366 1 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 0 -12.463696 35.61064 10.57905 1 4367 1 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 0 -13.87635 35.77237 10.052347 1 4368 1 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 0 -14.853821 35.766136 11.179185 1 4369 1 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 0 -7.0706882 36.793514 10.071781 1 4370 1 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 0 -6.0026536 36.96555 11.0424595 1 4371 1 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 0 -6.536277 37.85486 12.154773 1 4372 1 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 0 -6.864191 39.024075 11.910261 1 4373 1 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 0 -4.7437468 37.5774 10.415306 1 4374 1 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 0 -3.5923278 37.649136 11.425 1 4375 1 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 0 -2.28257 38.127563 10.846089 1 4376 1 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 0 -2.2946157 39.08412 10.055967 1 4377 1 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 0 -1.2297851 37.548676 11.18722 1 4378 1 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 0 -6.6556864 37.30652 13.326755 1 4379 1 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 0 -7.166236 38.038994 14.476152 1 4380 1 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 0 -5.980576 38.646397 15.215714 1 4381 1 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 0 -5.2171097 37.937355 15.875515 1 4382 1 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 0 -7.990923 37.12471 15.40897 1 4383 1 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 0 -8.576889 37.935287 16.554369 1 4384 1 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 0 -9.090025 36.425667 14.619629 1 4385 1 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 0 -5.8080297 39.940964 15.044053 1 4386 1 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 0 -4.686846 40.65528 15.640195 1 4387 1 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 0 -5.1299863 41.342167 16.926529 1 4388 1 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 0 -6.1965914 41.043015 17.466621 1 4389 1 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 0 -4.1176004 41.665688 14.632935 1 4390 1 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 0 -3.5248044 41.037186 13.379716 1 4391 1 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 0 -3.3629248 42.05569 12.2582655 1 4392 1 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 0 -2.1866632 40.38147 13.702398 1 4393 1 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 0 -4.333025 42.25393 17.419186 1 4394 1 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 0 -4.663468 42.933712 18.665678 1 4395 1 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 0 -5.6795115 44.044838 18.404385 1 4396 1 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 0 -5.3245144 45.141754 17.977589 1 4397 1 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 0 -3.4014337 43.496613 19.322582 1 4398 1 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 0 -2.3764307 42.43169 19.679094 1 4399 1 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 0 -1.1214168 43.0456 20.27306 1 4400 1 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 0 -0.087030545 41.969204 20.552628 1 4401 1 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 0 1.1653028 42.538784 21.094995 1 4402 1 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 0 -6.9317055 43.7285 18.608036 1 4403 1 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 0 -7.9905357 44.71232 18.48751 1 4404 1 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 0 -8.673385 44.80048 17.144655 1 4405 1 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 0 -9.646182 45.553814 17.010307 1 4406 1 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 0 -8.209527 44.079224 16.143078 1 4407 1 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 0 -8.869846 44.109886 14.8404875 1 4408 1 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 0 -8.59499 42.83304 14.071844 1 4409 1 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 0 -7.7205033 42.04196 14.4486685 1 4410 1 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 0 -8.459486 45.34765 14.023435 1 4411 1 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 0 -6.988319 45.42868 13.683311 1 4412 1 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 0 -6.057699 45.852985 14.622995 1 4413 1 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 0 -6.540861 45.1171 12.408846 1 4414 1 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 0 -4.718307 45.94924 14.307653 1 4415 1 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 0 -5.202637 45.21608 12.085976 1 4416 1 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 0 -4.293516 45.62983 13.037633 1 4417 1 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 0 -2.9669838 45.726673 12.720232 1 4418 1 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 0 -9.325464 42.64798 12.982509 1 4419 1 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 0 -9.272585 41.417053 12.202217 1 4420 1 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 0 -9.039377 41.7458 10.728049 1 4421 1 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 0 -9.65731 42.668365 10.183357 1 4422 1 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 0 -10.580302 40.609734 12.360847 1 4423 1 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 0 -10.562906 39.3677 11.480548 1 4424 1 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 0 -10.802038 40.228127 13.816636 1 4425 1 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 0 -8.130063 41.004326 10.10812 1 4426 1 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 0 -7.941249 41.063736 8.666107 1 4427 1 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 0 -8.562106 39.818054 8.057884 1 4428 1 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 0 -8.451932 38.7241 8.622009 1 4429 1 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 0 -6.4522552 41.13359 8.299551 1 4430 1 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 0 -5.6441336 42.272842 8.922448 1 4431 1 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 0 -4.2096024 42.219204 8.423563 1 4432 1 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 0 -6.26552 43.621563 8.6205225 1 4433 1 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 0 -9.197706 39.96821 6.90089 1 4434 1 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 0 -9.861652 38.852226 6.247017 1 4435 1 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 0 -9.329102 38.66185 4.8341074 1 4436 1 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 0 -8.887592 39.610977 4.190572 1 4437 1 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 0 -11.375283 39.069344 6.213827 1 4438 1 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 0 -12.009386 39.11996 7.589982 1 4439 1 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 0 -13.524979 39.143253 7.533373 1 4440 1 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 0 -14.150371 38.12232 7.850682 1 4441 1 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 0 -14.082917 40.190117 7.1674776 1 4442 1 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 0 -9.375843 37.4089 4.3872623 1 4443 1 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 0 -8.890214 37.112938 3.055027 1 4444 1 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 0 -9.096979 35.66832 2.6732864 1 4445 1 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 0 -10.110558 35.06572 3.030579 1 4446 1 +ATOM N N . THR C0 3 148 . 148 THR C0 N 0 -8.125029 35.132675 1.9531878 1 4447 1 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 0 -8.253074 33.774666 1.44205 1 4448 1 +ATOM C C . THR C0 3 148 . 148 THR C0 C 0 -6.990469 32.953083 1.7043897 1 4449 1 +ATOM O O . THR C0 3 148 . 148 THR C0 O 0 -5.9058523 33.49793 1.8988222 1 4450 1 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 0 -8.545349 33.76741 -0.06908265 1 4451 1 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 0 -7.4737883 34.428406 -0.7503015 1 4452 1 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 0 -9.851356 34.483032 -0.38014263 1 4453 1 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 0 -7.1839848 31.646996 1.7133167 1 4454 1 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 0 -6.102113 30.67821 1.8080461 1 4455 1 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 0 -5.9677486 29.96637 0.46868712 1 4456 1 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 0 -6.9734206 29.5499 -0.11087799 1 4457 1 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 0 -6.39652 29.66925 2.9177337 1 4458 1 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 0 -5.476 28.453232 3.0232458 1 4459 1 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 0 -6.0900097 27.413067 3.9543562 1 4460 1 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 0 -4.090432 28.866413 3.489808 1 4461 1 +ATOM N N . THR C0 3 150 . 150 THR C0 N 0 -4.7581882 29.867054 -0.033330522 1 4462 1 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 0 -4.457196 29.009056 -1.1742041 1 4463 1 +ATOM C C . THR C0 3 150 . 150 THR C0 C 0 -3.5153775 27.913734 -0.68899524 1 4464 1 +ATOM O O . THR C0 3 150 . 150 THR C0 O 0 -3.0943506 27.909782 0.4701317 1 4465 1 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 0 -3.8081522 29.786755 -2.333756 1 4466 1 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 0 -2.4984047 30.197426 -1.9509559 1 4467 1 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 0 -4.6456404 31.006653 -2.7089086 1 4468 1 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 0 -3.184629 26.984177 -1.5786209 1 4469 1 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 0 -2.289057 25.902401 -1.1949472 1 4470 1 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 0 -0.9136776 26.42177 -0.7916587 1 4471 1 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 0 -0.18863373 25.749811 -0.05955474 1 4472 1 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 0 -2.1507144 24.901682 -2.3417478 1 4473 1 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 0 -0.5639653 27.62856 -1.2455394 1 4474 1 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 0 0.7635077 28.173258 -1.0298703 1 4475 1 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 0 0.8235582 29.251501 0.05331399 1 4476 1 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 0 1.8390627 29.374722 0.74834657 1 4477 1 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 0 1.3263013 28.733604 -2.3338752 1 4478 1 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 0 2.7787538 29.235565 -2.2362185 1 4479 1 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 0 3.76135 28.131432 -1.9042981 1 4480 1 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 0 3.4594848 26.948633 -2.1799598 1 4481 1 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 0 4.8372946 28.433905 -1.3570311 1 4482 1 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 0 -0.23529702 30.052078 0.20194665 1 4483 1 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 0 -0.14448446 31.177244 1.1326504 1 4484 1 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 0 -1.5149429 31.667126 1.584206 1 4485 1 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 0 -2.5403638 31.359886 0.9795624 1 4486 1 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 0 0.61616284 32.335693 0.48918194 1 4487 1 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 0 -0.0878341 32.941177 -0.7190029 1 4488 1 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 0 0.7415963 34.0491 -1.3369594 1 4489 1 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 0 0.048950233 34.598003 -2.5757704 1 4490 1 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 0 0.8488093 35.65891 -3.2100453 1 4491 1 +ATOM N N . THR C0 3 154 . 154 THR C0 N 0 -1.4654555 32.455547 2.6516047 1 4492 1 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 0 -2.6317255 33.178375 3.1383562 1 4493 1 +ATOM C C . THR C0 3 154 . 154 THR C0 C 0 -2.532075 34.60857 2.618084 1 4494 1 +ATOM O O . THR C0 3 154 . 154 THR C0 O 0 -1.4716802 35.23327 2.722342 1 4495 1 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 0 -2.6709461 33.192905 4.6787004 1 4496 1 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 0 -2.715861 31.85514 5.166689 1 4497 1 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 0 -3.864278 33.976143 5.2027187 1 4498 1 +ATOM N N . THR C0 3 155 . 155 THR C0 N 0 -3.6144202 35.13843 2.0421908 1 4499 1 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 0 -3.63673 36.509045 1.5503201 1 4500 1 +ATOM C C . THR C0 3 155 . 155 THR C0 C 0 -4.7492375 37.269398 2.2730267 1 4501 1 +ATOM O O . THR C0 3 155 . 155 THR C0 O 0 -5.9220953 36.91962 2.148099 1 4502 1 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 0 -3.8598855 36.55915 0.032046013 1 4503 1 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 0 -2.7981293 35.86151 -0.6199918 1 4504 1 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 0 -3.8883955 38.004433 -0.46053818 1 4505 1 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 0 -4.3613935 38.31122 3.0283892 1 4506 1 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 0 -5.296651 39.116447 3.8029826 1 4507 1 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 0 -5.3808155 40.494644 3.1649823 1 4508 1 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 0 -4.347513 41.12711 2.90843 1 4509 1 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 0 -4.8413615 39.19745 5.2584734 1 4510 1 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 0 -4.696566 37.81934 5.913241 1 4511 1 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 0 -3.6838264 37.84658 7.0380073 1 4512 1 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 0 -6.0420117 37.303 6.370489 1 4513 1 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 0 -6.5980535 40.978653 2.919726 1 4514 1 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 0 -6.8031473 42.16415 2.099981 1 4515 1 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 0 -7.4813805 43.288406 2.8892746 1 4516 1 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 0 -8.437527 43.049847 3.6299078 1 4517 1 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 0 -7.6347237 41.82603 0.8473055 1 4518 1 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 0 -7.9492836 43.079613 0.042985875 1 4519 1 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 0 -6.893146 40.811104 -0.014964541 1 4520 1 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 0 -6.975548 44.511055 2.704996 1 4521 1 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 0 -7.597012 45.71568 3.243171 1 4522 1 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 0 -7.8344603 46.661648 2.0715208 1 4523 1 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 0 -6.8968883 46.972397 1.325022 1 4524 1 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 0 -6.7173347 46.398335 4.305072 1 4525 1 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 0 -7.4082813 47.64235 4.850499 1 4526 1 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 0 -6.3766956 45.430183 5.4262166 1 4527 1 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 0 -9.061194 47.117233 1.9049152 1 4528 1 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 0 -9.410659 48.001842 0.7989912 1 4529 1 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 0 -9.765731 49.402313 1.3079975 1 4530 1 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 0 -10.467281 49.543724 2.3136005 1 4531 1 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 0 -10.587439 47.4397 -0.001557082 1 4532 1 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 0 -10.299108 46.11381 -0.67382765 1 4533 1 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 0 -11.521563 45.619663 -1.4438772 1 4534 1 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 0 -11.239634 44.276775 -2.0937114 1 4535 1 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 0 -12.434084 43.761658 -2.8123891 1 4536 1 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 0 -9.274431 50.42225 0.6021476 1 4537 1 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 0 -9.601883 51.820786 0.89445966 1 4538 1 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 0 -9.634466 52.569916 -0.4320148 1 4539 1 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 0 -8.59342 52.850224 -1.0144384 1 4540 1 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 0 -8.592651 52.442062 1.8454609 1 4541 1 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 0 -8.852874 53.91441 2.1505835 1 4542 1 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 0 -10.192741 54.181843 2.7896771 1 4543 1 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 0 -10.72042 53.314613 3.5194285 1 4544 1 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 0 -10.746312 55.277763 2.5579038 1 4545 1 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 0 -10.848927 52.876587 -0.89926934 1 4546 1 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 0 -10.994005 53.525272 -2.1869867 1 4547 1 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 0 -10.471127 52.644848 -3.3041155 1 4548 1 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 0 -10.856735 51.48061 -3.4293628 1 4549 1 +ATOM N N . THR C0 3 162 . 162 THR C0 N 0 -9.547859 53.193295 -4.1058526 1 4550 1 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 0 -8.947847 52.436058 -5.204048 1 4551 1 +ATOM C C . THR C0 3 162 . 162 THR C0 C 0 -7.7395115 51.613995 -4.7642417 1 4552 1 +ATOM O O . THR C0 3 162 . 162 THR C0 O 0 -7.1485605 50.90426 -5.593765 1 4553 1 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 0 -8.512565 53.38272 -6.339765 1 4554 1 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 0 -7.561232 54.324158 -5.825997 1 4555 1 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 0 -9.701137 54.15341 -6.9161997 1 4556 1 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 0 -7.386574 51.720497 -3.488451 1 4557 1 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 0 -6.175414 51.074482 -2.9879074 1 4558 1 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 0 -6.5106344 49.735023 -2.3278081 1 4559 1 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 0 -7.4362583 49.64584 -1.5186058 1 4560 1 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 0 -5.431418 51.983208 -1.9892478 1 4561 1 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 0 -4.170449 51.30758 -1.4757254 1 4562 1 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 0 -5.0998425 53.33017 -2.6248076 1 4563 1 +ATOM N N . THR C0 3 164 . 164 THR C0 N 0 -5.743902 48.699493 -2.6810951 1 4564 1 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 0 -5.8652763 47.387558 -2.0555599 1 4565 1 +ATOM C C . THR C0 3 164 . 164 THR C0 C 0 -4.5056047 46.988297 -1.4967334 1 4566 1 +ATOM O O . THR C0 3 164 . 164 THR C0 O 0 -3.5260391 46.914505 -2.2378068 1 4567 1 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 0 -6.3536205 46.333626 -3.0546625 1 4568 1 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 0 -7.6456594 46.703735 -3.547658 1 4569 1 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 0 -6.4398413 44.965004 -2.4086027 1 4570 1 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 0 -4.4633727 46.734135 -0.18083555 1 4571 1 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 0 -3.2575188 46.227753 0.45752245 1 4572 1 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 0 -3.430385 44.73385 0.6848222 1 4573 1 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 0 -4.461362 44.297325 1.2066544 1 4574 1 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 0 -3.005925 46.941307 1.7892461 1 4575 1 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 0 -1.7669027 46.536037 2.5684307 1 4576 1 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 0 -1.1086656 47.752186 3.2186506 1 4577 1 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 0 -2.0991213 45.473537 3.6228461 1 4578 1 +ATOM N N . SER C0 3 166 . 166 SER C0 N 0 -2.4437058 43.94413 0.26671523 1 4579 1 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 0 -2.485714 42.495514 0.43255544 1 4580 1 +ATOM C C . SER C0 3 166 . 166 SER C0 C 0 -1.3318741 42.04769 1.3200681 1 4581 1 +ATOM O O . SER C0 3 166 . 166 SER C0 O 0 -0.16737708 42.234344 0.9678223 1 4582 1 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 0 -2.4150503 41.793022 -0.9217254 1 4583 1 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 0 -3.52001 42.143105 -1.7325182 1 4584 1 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 0 -1.6684136 41.46279 2.456837 1 4585 1 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 0 -0.6692699 40.89972 3.357296 1 4586 1 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 0 -0.6078379 39.397873 3.1185122 1 4587 1 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 0 -1.6178191 38.69893 3.278119 1 4588 1 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 0 -1.0203307 41.18813 4.823854 1 4589 1 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 0 -0.055590287 40.575264 5.817465 1 4590 1 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 0 -0.5010077 40.85029 7.245513 1 4591 1 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 0 0.4339727 40.176277 8.242288 1 4592 1 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 0 -0.002581615 40.42131 9.619501 1 4593 1 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 0 0.5448139 38.910233 2.7211616 1 4594 1 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 0 0.7364199 37.494835 2.4271705 1 4595 1 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 0 1.5265763 36.809593 3.5378692 1 4596 1 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 0 2.5512383 37.32026 3.9815745 1 4597 1 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 0 1.4634974 37.317684 1.0933385 1 4598 1 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 0 0.7105433 37.929916 -0.060567264 1 4599 1 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 0 -0.51436055 37.805134 -0.15141071 1 4600 1 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 0 1.4070448 38.599255 -0.95703626 1 4601 1 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 0 1.0289342 35.66311 3.9939423 1 4602 1 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 0 1.7307794 34.83913 4.9750857 1 4603 1 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 0 2.012339 33.494076 4.3174005 1 4604 1 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 0 1.0798724 32.749344 3.997724 1 4605 1 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 0 0.9025886 34.649914 6.2643194 1 4606 1 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 0 0.49856007 36.01123 6.8409305 1 4607 1 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 0 1.7013618 33.852734 7.2945247 1 4608 1 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 0 -0.44449335 35.927803 8.027264 1 4609 1 +ATOM N N . SER C0 3 170 . 170 SER C0 N 0 3.2825053 33.20053 4.087741 1 4610 1 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 0 3.6656034 31.965698 3.4089026 1 4611 1 +ATOM C C . SER C0 3 170 . 170 SER C0 C 0 3.5045357 30.755314 4.331768 1 4612 1 +ATOM O O . SER C0 3 170 . 170 SER C0 O 0 3.2368827 30.897537 5.5227127 1 4613 1 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 0 5.111245 32.06179 2.9162188 1 4614 1 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 0 6.0068913 32.00116 4.01003 1 4615 1 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 0 3.6819148 29.564362 3.7681365 1 4616 1 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 0 3.5944622 28.331951 4.5552764 1 4617 1 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 0 4.6391172 28.312328 5.666646 1 4618 1 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 0 4.4182916 27.704765 6.7099133 1 4619 1 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 0 3.7755122 27.111996 3.655912 1 4620 1 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 0 2.5926533 26.853146 2.7227106 1 4621 1 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 0 1.3806988 26.368736 3.4978838 1 4622 1 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 0 0.24049965 25.988598 2.5524514 1 4623 1 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 0 -0.9499415 25.518581 3.2979012 1 4624 1 +ATOM N N . SER C0 3 172 . 172 SER C0 N 0 5.7755065 28.989847 5.4493484 1 4625 1 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 0 6.8277187 29.05367 6.455101 1 4626 1 +ATOM C C . SER C0 3 172 . 172 SER C0 C 0 6.5818996 30.140741 7.495304 1 4627 1 +ATOM O O . SER C0 3 172 . 172 SER C0 O 0 7.3550825 30.267084 8.45107 1 4628 1 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 0 8.18688 29.28442 5.789179 1 4629 1 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 0 8.236272 30.54774 5.163079 1 4630 1 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 0 5.526453 30.925549 7.325384 1 4631 1 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 0 5.2086835 31.997423 8.250462 1 4632 1 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 0 5.790724 33.341568 7.879489 1 4633 1 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 0 5.583931 34.316757 8.605638 1 4634 1 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 0 6.527008 33.42818 6.7628365 1 4635 1 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 0 7.1120963 34.689606 6.329674 1 4636 1 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 0 6.031768 35.626556 5.793821 1 4637 1 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 0 5.1210494 35.195816 5.089204 1 4638 1 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 0 8.178152 34.445843 5.2631207 1 4639 1 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 0 9.394055 33.700905 5.779998 1 4640 1 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 0 10.45582 33.522636 4.7106023 1 4641 1 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 0 11.503361 32.92295 5.01974 1 4642 1 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 0 10.257249 33.973804 3.5684452 1 4643 1 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 0 6.173339 36.911793 6.1293454 1 4644 1 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 0 5.1956882 37.91769 5.737894 1 4645 1 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 0 5.753227 38.777863 4.6058574 1 4646 1 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 0 6.924845 39.159607 4.623453 1 4647 1 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 0 4.803995 38.807922 6.9369545 1 4648 1 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 0 3.9098673 39.96611 6.488927 1 4649 1 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 0 4.106102 37.9818 8.007059 1 4650 1 +ATOM N N . SER C0 3 176 . 176 SER C0 N 0 4.925544 39.062878 3.6201303 1 4651 1 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 0 5.225683 40.040077 2.5836182 1 4652 1 +ATOM C C . SER C0 3 176 . 176 SER C0 C 0 3.9632087 40.84151 2.3242645 1 4653 1 +ATOM O O . SER C0 3 176 . 176 SER C0 O 0 2.8521132 40.332253 2.4955282 1 4654 1 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 0 5.7290297 39.377716 1.3019137 1 4655 1 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 0 4.719486 38.59082 0.71601903 1 4656 1 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 0 4.12782 42.10004 1.9480734 1 4657 1 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 0 2.9728367 42.966526 1.7537391 1 4658 1 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 0 3.0564916 43.63662 0.3855098 1 4659 1 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 0 4.1242228 44.10293 -0.023528397 1 4660 1 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 0 2.8634772 44.032425 2.8646579 1 4661 1 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 0 1.5893359 44.85399 2.7140875 1 4662 1 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 0 2.9012766 43.37327 4.241934 1 4663 1 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 0 1.9425272 43.672585 -0.31700116 1 4664 1 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 0 1.830496 44.300453 -1.6272318 1 4665 1 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 0 0.7304045 45.3593 -1.5956657 1 4666 1 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 0 -0.20062006 45.26908 -0.7985338 1 4667 1 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 0 1.5202408 43.2654 -2.7084818 1 4668 1 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 0 2.5671785 42.180305 -2.8497515 1 4669 1 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 0 2.128886 41.06002 -3.7750273 1 4670 1 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 0 2.9354334 40.139877 -4.012513 1 4671 1 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 0 0.9878242 41.09347 -4.2631044 1 4672 1 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 0 0.85617167 46.35428 -2.4798121 1 4673 1 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 0 -0.1528045 47.39427 -2.6050148 1 4674 1 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 0 -0.4849819 47.599915 -4.0746856 1 4675 1 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 0 0.4215669 47.699867 -4.9069796 1 4676 1 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 0 0.3325847 48.70887 -1.9798567 1 4677 1 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 0 -0.67492676 49.867195 -1.9192691 1 4678 1 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 0 -0.49483895 50.67663 -0.65161157 1 4679 1 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 0 -0.5750324 50.76055 -3.1562004 1 4680 1 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 0 -1.7673596 47.646317 -4.3857307 1 4681 1 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 0 -2.23634 47.900684 -5.7397337 1 4682 1 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 0 -3.236477 49.056255 -5.718995 1 4683 1 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 0 -4.1457725 49.076824 -4.892146 1 4684 1 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 0 -2.8864715 46.653004 -6.3373804 1 4685 1 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 0 -3.443153 46.89718 -7.7239265 1 4686 1 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 0 -2.7130885 47.323597 -8.619893 1 4687 1 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 0 -4.709704 46.641594 -7.9308777 1 4688 1 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 0 -3.034348 50.023582 -6.606984 1 4689 1 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 0 -3.9238129 51.17365 -6.7192335 1 4690 1 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 0 -4.4165792 51.26837 -8.159683 1 4691 1 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 0 -3.6049604 51.383907 -9.082857 1 4692 1 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 0 -3.191977 52.461395 -6.3094406 1 4693 1 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 0 -4.118861 53.65869 -6.1616917 1 4694 1 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 0 -5.3224587 53.547173 -6.503501 1 4695 1 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 0 -3.6513538 54.724937 -5.7073874 1 4696 1 +ATOM N N . THR C0 3 182 . 182 THR C0 N 0 -5.725912 51.217957 -8.3590145 1 4697 1 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 0 -6.2920036 51.269028 -9.705687 1 4698 1 +ATOM C C . THR C0 3 182 . 182 THR C0 C 0 -6.4240437 52.695927 -10.235554 1 4699 1 +ATOM O O . THR C0 3 182 . 182 THR C0 O 0 -6.8355765 52.90001 -11.383209 1 4700 1 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 0 -7.6754003 50.590042 -9.741343 1 4701 1 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 0 -8.531951 51.223724 -8.791178 1 4702 1 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 0 -7.5589395 49.115643 -9.410815 1 4703 1 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 0 -6.075527 53.705734 -9.411522 1 4704 1 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 0 -6.1031632 55.10601 -9.842007 1 4705 1 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 0 -5.118243 55.28993 -10.993628 1 4706 1 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 0 -3.9402096 54.951492 -10.861243 1 4707 1 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 0 -5.735235 56.016716 -8.669535 1 4708 1 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 0 -6.0228934 57.485374 -8.931688 1 4709 1 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 0 -6.0628767 57.90255 -10.114279 1 4710 1 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 0 -6.203124 58.24088 -7.949427 1 4711 1 +ATOM N N . SER C0 3 184 . 184 SER C0 N 0 -5.5998335 55.827007 -12.139493 1 4712 1 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 0 -4.745308 55.97347 -13.317976 1 4713 1 +ATOM C C . SER C0 3 184 . 184 SER C0 C 0 -3.9427614 57.268562 -13.310289 1 4714 1 +ATOM O O . SER C0 3 184 . 184 SER C0 O 0 -3.0521438 57.442833 -14.153284 1 4715 1 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 0 -5.589702 55.90972 -14.592099 1 4716 1 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 0 -6.533493 56.96608 -14.621477 1 4717 1 +ATOM N N . SER C0 3 185 . 185 SER C0 N 0 -4.225075 58.19819 -12.385889 1 4718 1 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 0 -3.5254483 59.474815 -12.31897 1 4719 1 +ATOM C C . SER C0 3 185 . 185 SER C0 C 0 -2.1728525 59.325798 -11.62314 1 4720 1 +ATOM O O . SER C0 3 185 . 185 SER C0 O 0 -2.1085043 58.877975 -10.475985 1 4721 1 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 0 -4.371618 60.50836 -11.582863 1 4722 1 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 0 -3.6337194 61.697235 -11.340584 1 4723 1 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 0 -1.105515 59.73597 -12.305928 1 4724 1 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 0 0.2306903 59.649246 -11.729614 1 4725 1 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 0 0.3726137 60.53266 -10.499088 1 4726 1 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 0 1.2060597 60.260696 -9.632926 1 4727 1 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 0 1.2737405 60.02868 -12.775813 1 4728 1 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 0 -0.4336297 61.588203 -10.409152 1 4729 1 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 0 -0.33764452 62.521706 -9.298529 1 4730 1 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 0 -0.9709327 61.988983 -8.019503 1 4731 1 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 0 -0.6310257 62.446014 -6.928233 1 4732 1 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 0 -0.97447497 63.861786 -9.687617 1 4733 1 +ATOM N N . THR C0 3 188 . 188 THR C0 N 0 -1.871491 61.014187 -8.122713 1 4734 1 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 0 -2.5787811 60.498093 -6.9571652 1 4735 1 +ATOM C C . THR C0 3 188 . 188 THR C0 C 0 -2.4184437 58.99462 -6.7486672 1 4736 1 +ATOM O O . THR C0 3 188 . 188 THR C0 O 0 -2.7784176 58.476883 -5.6884847 1 4737 1 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 0 -4.0780773 60.827553 -7.05146 1 4738 1 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 0 -4.592466 60.278366 -8.252831 1 4739 1 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 0 -4.308919 62.340492 -7.044115 1 4740 1 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 0 -1.8892262 58.29934 -7.743227 1 4741 1 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 0 -1.7461472 56.84633 -7.648419 1 4742 1 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 0 -0.7258729 56.463894 -6.58192 1 4743 1 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 0 0.40966505 56.956036 -6.5848875 1 4744 1 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 0 -1.3217313 56.26881 -9.007939 1 4745 1 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 0 -1.2329748 54.758095 -9.028891 1 4746 1 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 0 -0.7936084 54.260292 -10.400535 1 4747 1 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 0 -0.7527435 52.741432 -10.4638195 1 4748 1 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 0 -2.1380506 52.17759 -10.431437 1 4749 1 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 0 -1.1254461 55.58469 -5.6728573 1 4750 1 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 0 -0.23945299 55.085636 -4.6216288 1 4751 1 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 0 0.5572447 53.897995 -5.127056 1 4752 1 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 0 -0.0012485569 52.997982 -5.764207 1 4753 1 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 0 -1.0278635 54.687584 -3.3673558 1 4754 1 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 0 -1.4840279 55.855286 -2.5009694 1 4755 1 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 0 -2.682507 56.560703 -3.120049 1 4756 1 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 0 -3.211299 57.63997 -2.1795835 1 4757 1 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 0 -4.379809 58.31995 -2.8003733 1 4758 1 +ATOM N N . THR C0 3 191 . 191 THR C0 N 0 1.8325541 53.89364 -4.8634167 1 4759 1 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 0 2.697072 52.747215 -5.1236 1 4760 1 +ATOM C C . THR C0 3 191 . 191 THR C0 C 0 3.422315 52.39836 -3.829926 1 4761 1 +ATOM O O . THR C0 3 191 . 191 THR C0 O 0 3.4335873 53.183968 -2.8792248 1 4762 1 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 0 3.710092 53.03552 -6.2466946 1 4763 1 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 0 4.537708 54.12661 -5.867857 1 4764 1 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 0 3.0010414 53.3689 -7.5546193 1 4765 1 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 0 3.9979792 51.202366 -3.7800894 1 4766 1 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 0 4.6644077 50.788033 -2.5508742 1 4767 1 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 0 5.7943873 49.812332 -2.8520818 1 4768 1 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 0 5.748493 49.083492 -3.8382697 1 4769 1 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 0 3.6800709 50.17116 -1.5799832 1 4770 1 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 0 6.7929993 49.826004 -1.9791836 1 4771 1 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 0 7.9212837 48.916176 -2.0695372 1 4772 1 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 0 8.053892 48.16324 -0.7518817 1 4773 1 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 0 8.008035 48.762806 0.32020605 1 4774 1 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 0 9.208508 49.67378 -2.3847308 1 4775 1 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 0 8.202388 46.831474 -0.8625877 1 4776 1 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 0 8.343654 45.986008 0.32630754 1 4777 1 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 0 9.817375 45.690903 0.5891725 1 4778 1 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 0 10.5495405 45.277397 -0.32833654 1 4779 1 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 0 7.574993 44.68439 0.15615472 1 4780 1 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 0 7.7544746 43.7034 1.2689723 1 4781 1 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 0 8.432631 42.504074 1.2015882 1 4782 1 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 0 7.2726536 43.801247 2.6044476 1 4783 1 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 0 8.366781 41.86672 2.4086704 1 4784 1 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 0 7.6742992 42.634647 3.2860327 1 4785 1 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 0 6.5293317 44.77906 3.2885516 1 4786 1 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 0 7.352449 42.41216 4.6269536 1 4787 1 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 0 6.204788 44.555546 4.616261 1 4788 1 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 0 6.6243105 43.385468 5.263 1 4789 1 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 0 10.253503 45.9144 1.8057314 1 4790 1 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 0 11.613907 45.607895 2.237755 1 4791 1 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 0 11.53273 44.465965 3.2456584 1 4792 1 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 0 11.166161 44.67846 4.399732 1 4793 1 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 0 12.276733 46.845707 2.855525 1 4794 1 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 0 13.735053 46.619675 3.1942348 1 4795 1 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 0 14.149546 45.50487 3.4968562 1 4796 1 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 0 14.5272875 47.692364 3.1560168 1 4797 1 +ATOM N N . SER C0 3 196 . 196 SER C0 N 0 11.879881 43.25154 2.795309 1 4798 1 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 0 11.771972 42.08496 3.6620116 1 4799 1 +ATOM C C . SER C0 3 196 . 196 SER C0 C 0 12.757704 42.126244 4.8199844 1 4800 1 +ATOM O O . SER C0 3 196 . 196 SER C0 O 0 12.506758 41.53727 5.8695927 1 4801 1 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 0 11.973074 40.811058 2.8459709 1 4802 1 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 0 13.261695 40.782093 2.2667098 1 4803 1 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 0 13.887875 42.823875 4.6447377 1 4804 1 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 0 14.876524 42.905537 5.7030716 1 4805 1 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 0 14.392992 43.65719 6.92245 1 4806 1 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 0 14.795187 43.354095 8.044318 1 4807 1 +ATOM N N . THR C0 3 198 . 198 THR C0 N 0 13.522297 44.654095 6.710924 1 4808 1 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 0 12.979026 45.448936 7.8019195 1 4809 1 +ATOM C C . THR C0 3 198 . 198 THR C0 C 0 11.481329 45.241142 7.994147 1 4810 1 +ATOM O O . THR C0 3 198 . 198 THR C0 O 0 10.881134 45.863533 8.870024 1 4811 1 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 0 13.250934 46.951077 7.577778 1 4812 1 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 0 12.667114 47.347534 6.3381243 1 4813 1 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 0 14.744438 47.249176 7.543752 1 4814 1 +ATOM N N . SER C0 3 199 . 199 SER C0 N 0 10.896552 44.382225 7.190324 1 4815 1 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 0 9.454554 44.13508 7.22192 1 4816 1 +ATOM C C . SER C0 3 199 . 199 SER C0 C 0 8.680224 45.44137 7.0922747 1 4817 1 +ATOM O O . SER C0 3 199 . 199 SER C0 O 0 7.7305174 45.6961 7.8291416 1 4818 1 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 0 9.064526 43.398018 8.498245 1 4819 1 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 0 9.7132015 42.154648 8.592541 1 4820 1 +ATOM N N . THR C0 3 200 . 200 THR C0 N 0 9.101545 46.257 6.1309366 1 4821 1 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 0 8.555228 47.59188 5.96908 1 4822 1 +ATOM C C . THR C0 3 200 . 200 THR C0 C 0 7.9586034 47.779976 4.5770745 1 4823 1 +ATOM O O . THR C0 3 200 . 200 THR C0 O 0 8.600847 47.45827 3.5768309 1 4824 1 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 0 9.629892 48.66687 6.209637 1 4825 1 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 0 10.147291 48.521645 7.5241838 1 4826 1 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 0 9.064001 50.07065 6.0361514 1 4827 1 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 0 6.748021 48.33091 4.5299697 1 4828 1 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 0 6.114934 48.731 3.282411 1 4829 1 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 0 6.1782627 50.250458 3.1949847 1 4830 1 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 0 5.608577 50.94609 4.036319 1 4831 1 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 0 4.660333 48.272797 3.2211545 1 4832 1 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 0 3.9589722 48.48857 1.876345 1 4833 1 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 0 2.4467926 48.52318 2.0328832 1 4834 1 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 0 4.3866806 47.409203 0.8888319 1 4835 1 +ATOM N N . THR C0 3 202 . 202 THR C0 N 0 6.8788843 50.75351 2.1904628 1 4836 1 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 0 7.0001707 52.193382 2.006999 1 4837 1 +ATOM C C . THR C0 3 202 . 202 THR C0 C 0 6.03757 52.639553 0.9110896 1 4838 1 +ATOM O O . THR C0 3 202 . 202 THR C0 O 0 6.164977 52.21163 -0.24000862 1 4839 1 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 0 8.437343 52.597588 1.6439716 1 4840 1 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 0 9.308701 52.18805 2.692934 1 4841 1 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 0 8.551308 54.10415 1.4461595 1 4842 1 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 0 5.08875 53.491695 1.2694238 1 4843 1 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 0 4.0835075 53.9652 0.32857513 1 4844 1 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 0 4.5558124 55.27366 -0.29998624 1 4845 1 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 0 5.0368114 56.170677 0.39993972 1 4846 1 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 0 2.720142 54.166245 1.0254871 1 4847 1 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 0 2.2502902 52.83588 1.6298493 1 4848 1 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 0 1.6737177 54.71242 0.049523704 1 4849 1 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 0 0.97789025 52.942284 2.4501245 1 4850 1 +ATOM N N . THR C0 3 204 . 204 THR C0 N 0 4.3869276 55.376106 -1.622596 1 4851 1 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 0 4.838029 56.53163 -2.3816762 1 4852 1 +ATOM C C . THR C0 3 204 . 204 THR C0 C 0 3.6926622 57.097588 -3.2184656 1 4853 1 +ATOM O O . THR C0 3 204 . 204 THR C0 O 0 2.9152045 56.33098 -3.7952678 1 4854 1 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 0 6.0164785 56.15854 -3.2948098 1 4855 1 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 0 7.108861 55.717617 -2.4931786 1 4856 1 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 0 6.460705 57.34361 -4.1452417 1 4857 1 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 0 3.5984282 58.428482 -3.2878041 1 4858 1 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 0 2.630282 59.116035 -4.1270485 1 4859 1 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 0 3.3573003 60.228127 -4.8863926 1 4860 1 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 0 4.0567355 61.035168 -4.286951 1 4861 1 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 0 1.4774756 59.71782 -3.3022084 1 4862 1 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 0 0.48971465 60.442627 -4.225619 1 4863 1 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 0 0.7672727 58.64953 -2.5043359 1 4864 1 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 0 3.2004423 60.25882 -6.183592 1 4865 1 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 0 3.827755 61.27278 -7.0336585 1 4866 1 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 0 5.3343315 61.382835 -6.75543 1 4867 1 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 0 5.880475 62.475853 -6.5818143 1 4868 1 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 0 3.1395955 62.626434 -6.836817 1 4869 1 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 0 3.4693518 63.6155 -7.939023 1 4870 1 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 0 3.8029428 63.21613 -9.056286 1 4871 1 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 0 3.3684766 64.91075 -7.6459985 1 4872 1 +ATOM N N . SER C0 3 207 . 207 SER C0 N 0 5.986796 60.257076 -6.681054 1 4873 1 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 0 7.430928 60.116226 -6.483545 1 4874 1 +ATOM C C . SER C0 3 207 . 207 SER C0 C 0 7.909178 60.575363 -5.1131034 1 4875 1 +ATOM O O . SER C0 3 207 . 207 SER C0 O 0 9.113218 60.708008 -4.898701 1 4876 1 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 0 8.207638 60.86122 -7.5765567 1 4877 1 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 0 7.886995 60.349464 -8.852886 1 4878 1 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 0 6.997847 60.784286 -4.187214 1 4879 1 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 0 7.384103 61.17 -2.833315 1 4880 1 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 0 6.8675804 60.14756 -1.828029 1 4881 1 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 0 5.693697 59.78235 -1.8549052 1 4882 1 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 0 6.8462677 62.565193 -2.4945855 1 4883 1 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 0 7.4863834 63.68653 -3.2994623 1 4884 1 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 0 7.027603 65.062485 -2.8309526 1 4885 1 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 0 7.7363434 66.16301 -3.6135466 1 4886 1 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 0 7.3327804 67.4958 -3.1471493 1 4887 1 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 0 7.7735057 59.720997 -0.9510312 1 4888 1 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 0 7.3803797 58.779076 0.091899745 1 4889 1 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 0 6.416095 59.4606 1.0546558 1 4890 1 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 0 6.6067014 60.626675 1.4167576 1 4891 1 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 0 8.615156 58.26581 0.8400944 1 4892 1 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 0 9.588462 57.50528 -0.035116367 1 4893 1 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 0 10.841038 57.13613 0.750278 1 4894 1 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 0 11.834848 56.430267 -0.14941114 1 4895 1 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 0 13.097134 56.11966 0.5693135 1 4896 1 +ATOM N N . THR C0 3 210 . 210 THR C0 N 0 5.3856 58.725456 1.4604677 1 4897 1 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 0 4.4015665 59.29136 2.3677268 1 4898 1 +ATOM C C . THR C0 3 210 . 210 THR C0 C 0 4.3509984 58.596184 3.7226954 1 4899 1 +ATOM O O . THR C0 3 210 . 210 THR C0 O 0 4.20656 59.263176 4.743158 1 4900 1 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 0 2.9895303 59.26525 1.7535187 1 4901 1 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 0 2.6300094 57.921143 1.4628751 1 4902 1 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 0 2.937446 60.09111 0.4791305 1 4903 1 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 0 4.45123 57.262405 3.7379777 1 4904 1 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 0 4.356579 56.515022 4.9964495 1 4905 1 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 0 5.1722536 55.23463 4.9441833 1 4906 1 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 0 5.393158 54.665615 3.8621001 1 4907 1 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 0 2.8981624 56.138496 5.3048472 1 4908 1 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 0 1.9883848 57.314857 5.589951 1 4909 1 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 0 0.5667776 56.84512 5.871647 1 4910 1 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 0 -0.34792203 58.023697 6.1964483 1 4911 1 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 0 -0.5745894 58.860535 5.0139074 1 4912 1 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 0 5.600154 54.7987 6.109481 1 4913 1 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 0 6.171771 53.470753 6.3019285 1 4914 1 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 0 5.2294836 52.67134 7.185608 1 4915 1 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 0 4.856208 53.1307 8.265945 1 4916 1 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 0 7.5482554 53.5512 6.9721327 1 4917 1 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 0 8.694803 53.69023 5.9980903 1 4918 1 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 0 8.439702 53.807693 4.7780967 1 4919 1 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 0 9.858393 53.678818 6.456352 1 4920 1 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 0 4.856401 51.482826 6.7290444 1 4921 1 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 0 4.11228 50.540134 7.5534873 1 4922 1 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 0 5.0699043 49.40603 7.9095206 1 4923 1 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 0 5.638523 48.771152 7.0121384 1 4924 1 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 0 2.898745 49.98246 6.807838 1 4925 1 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 0 1.765887 50.960873 6.495097 1 4926 1 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 0 0.75480926 50.29409 5.571187 1 4927 1 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 0 1.0937872 51.430286 7.769625 1 4928 1 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 0 5.272699 49.16514 9.1998 1 4929 1 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 0 6.1764736 48.109474 9.648283 1 4930 1 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 0 5.346922 46.9741 10.238423 1 4931 1 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 0 4.5443354 47.191788 11.151331 1 4932 1 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 0 7.1957884 48.628212 10.679346 1 4933 1 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 0 8.113251 47.5047 11.126325 1 4934 1 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 0 8.0015335 49.790092 10.096277 1 4935 1 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 0 5.557349 45.762398 9.704266 1 4936 1 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 0 4.84509 44.5719 10.169029 1 4937 1 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 0 5.8084455 43.78665 11.051014 1 4938 1 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 0 6.6829176 43.076557 10.552315 1 4939 1 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 0 4.3604226 43.75376 8.971636 1 4940 1 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 0 3.3336358 44.47398 8.140426 1 4941 1 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 0 3.7043695 45.50409 7.2925315 1 4942 1 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 0 1.9987715 44.134956 8.222113 1 4943 1 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 0 2.7583504 46.184128 6.5419993 1 4944 1 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 0 1.0513922 44.809555 7.465557 1 4945 1 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 0 1.4243491 45.83682 6.62429 1 4946 1 +ATOM N N . THR C0 3 216 . 216 THR C0 N 0 5.6647596 43.903862 12.362722 1 4947 1 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 0 6.6480083 43.398525 13.311514 1 4948 1 +ATOM C C . THR C0 3 216 . 216 THR C0 C 0 6.5143347 41.88955 13.53854 1 4949 1 +ATOM O O . THR C0 3 216 . 216 THR C0 O 0 5.501377 41.27449 13.199865 1 4950 1 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 0 6.5401063 44.118073 14.666172 1 4951 1 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 0 5.3621144 43.659256 15.339755 1 4952 1 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 0 6.466825 45.630905 14.490671 1 4953 1 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 0 7.576041 41.321175 14.126821 1 4954 1 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 0 7.5688534 39.903656 14.463865 1 4955 1 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 0 6.572464 39.579597 15.573336 1 4956 1 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 0 6.2065206 38.41439 15.748442 1 4957 1 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 0 8.977446 39.450455 14.87471 1 4958 1 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 0 9.995939 39.519478 13.747084 1 4959 1 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 0 11.363145 39.02589 14.218382 1 4960 1 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 0 12.378878 39.066166 13.08803 1 4961 1 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 0 13.710412 38.592377 13.533773 1 4962 1 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 0 6.1388893 40.59238 16.319244 1 4963 1 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 0 5.1602054 40.414738 17.378117 1 4964 1 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 0 3.733026 40.543858 16.864952 1 4965 1 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 0 2.8027883 40.647675 17.644524 1 4966 1 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 0 5.3957415 41.422043 18.510696 1 4967 1 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 0 6.691204 41.2032 19.291695 1 4968 1 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 0 7.9295974 41.6534 18.53849 1 4969 1 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 0 9.010999 41.10577 18.80283 1 4970 1 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 0 7.815547 42.554058 17.671856 1 4971 1 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 0 3.5888624 40.544685 15.555967 1 4972 1 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 0 2.2918437 40.63494 14.893653 1 4973 1 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 0 1.5650687 41.938198 15.206285 1 4974 1 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 0 0.35517818 41.96431 15.411096 1 4975 1 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 0 1.4225647 39.422752 15.241892 1 4976 1 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 0 2.0284548 38.137177 14.751366 1 4977 1 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 0 2.3612442 38.014824 13.571123 1 4978 1 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 0 2.1902747 37.172638 15.643768 1 4979 1 +ATOM N N . THR C0 3 220 . 220 THR C0 N 0 2.3493083 43.022705 15.262503 1 4980 1 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 0 1.7962116 44.362488 15.360309 1 4981 1 +ATOM C C . THR C0 3 220 . 220 THR C0 C 0 2.1740801 45.12904 14.09985 1 4982 1 +ATOM O O . THR C0 3 220 . 220 THR C0 O 0 3.1289375 44.770172 13.403765 1 4983 1 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 0 2.3143792 45.119804 16.60064 1 4984 1 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 0 3.7264194 45.23941 16.527409 1 4985 1 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 0 1.924263 44.404594 17.88451 1 4986 1 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 0 1.41908 46.189377 13.802425 1 4987 1 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 0 1.7025136 47.04801 12.662791 1 4988 1 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 0 1.8797004 48.469276 13.1827545 1 4989 1 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 0 1.0675507 48.94712 13.97209 1 4990 1 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 0 0.56556785 47.01706 11.62068 1 4991 1 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 0 0.2318934 45.581406 11.226108 1 4992 1 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 0 0.94254315 47.84002 10.386072 1 4993 1 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 0 -1.0365882 45.455795 10.393333 1 4994 1 +ATOM N N . THR C0 3 222 . 222 THR C0 N 0 2.9566665 49.124805 12.738337 1 4995 1 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 0 3.170425 50.5195 13.099103 1 4996 1 +ATOM C C . THR C0 3 222 . 222 THR C0 C 0 3.1824622 51.370514 11.835909 1 4997 1 +ATOM O O . THR C0 3 222 . 222 THR C0 O 0 3.5247483 50.88572 10.75065 1 4998 1 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 0 4.477987 50.731926 13.878516 1 4999 1 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 0 5.5795736 50.42363 13.042122 1 5000 1 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 0 4.5214415 49.869442 15.125935 1 5001 1 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 0 2.8182917 52.636284 11.986895 1 5002 1 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 0 2.8334415 53.561634 10.85953 1 5003 1 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 0 3.6096947 54.812298 11.2612505 1 5004 1 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 0 3.5127816 55.28032 12.401028 1 5005 1 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 0 1.4041858 53.93559 10.395156 1 5006 1 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 0 1.4709469 54.849174 9.161153 1 5007 1 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 0 0.6177452 54.598186 11.506091 1 5008 1 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 0 4.403098 55.320526 10.334263 1 5009 1 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 0 5.1593513 56.557404 10.548289 1 5010 1 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 0 5.164472 57.34209 9.248215 1 5011 1 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 0 5.3738523 56.759624 8.175035 1 5012 1 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 0 6.5798235 56.248585 11.011333 1 5013 1 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 0 7.347947 57.480556 11.466232 1 5014 1 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 0 8.668995 57.15038 12.123585 1 5015 1 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 0 9.130661 56.020416 12.060628 1 5016 1 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 0 9.293129 58.1444 12.76816 1 5017 1 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 0 4.944196 58.669914 9.342105 1 5018 1 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 0 4.8365164 59.507977 8.1523075 1 5019 1 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 0 6.1680326 60.138733 7.7729783 1 5020 1 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 0 7.0220547 60.374264 8.630941 1 5021 1 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 0 3.806922 60.61907 8.378767 1 5022 1 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 0 2.401966 60.102547 8.608982 1 5023 1 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 0 1.3615607 61.19479 8.621845 1 5024 1 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 0 1.3744524 62.094566 7.7790747 1 5025 1 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 0 0.45123792 61.129814 9.575527 1 5026 1 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 0 6.309493 60.394497 6.472146 1 5027 1 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 0 7.452731 61.13915 5.9599814 1 5028 1 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 0 7.132372 62.62966 5.930807 1 5029 1 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 0 5.9690204 63.039185 6.005939 1 5030 1 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 0 7.8276877 60.68044 4.5492525 1 5031 1 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 0 8.572788 59.372055 4.5031157 1 5032 1 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 0 7.899626 58.166374 4.567337 1 5033 1 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 0 9.948975 59.34961 4.383567 1 5034 1 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 0 8.583656 56.96766 4.5197983 1 5035 1 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 0 10.634627 58.151268 4.332123 1 5036 1 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 0 9.9529 56.96426 4.4092283 1 5037 1 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 0 10.635292 55.79057 4.3533335 1 5038 1 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 0 8.187097 63.46231 5.817411 1 5039 1 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 0 7.9725876 64.90448 5.701437 1 5040 1 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 0 7.3626785 65.222435 4.341971 1 5041 1 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 0 7.1853895 64.328964 3.5027518 1 5042 1 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 0 9.275885 65.67639 5.938439 1 5043 1 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 0 10.367146 65.37205 4.9288607 1 5044 1 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 0 10.098833 64.70514 3.898584 1 5045 1 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 0 11.51781 65.814255 5.1577215 1 5046 1 +ATOM N N . SER C0 3 228 . 228 SER C0 N 0 7.0196886 66.48993 4.1076083 1 5047 1 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 0 6.3136053 66.895966 2.8985503 1 5048 1 +ATOM C C . SER C0 3 228 . 228 SER C0 C 0 7.1113076 66.620575 1.6314702 1 5049 1 +ATOM O O . SER C0 3 228 . 228 SER C0 O 0 6.523364 66.467964 0.55800503 1 5050 1 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 0 5.9550786 68.390274 2.976615 1 5051 1 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 0 7.110935 69.19028 3.0989752 1 5052 1 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 0 8.4262085 66.56707 1.7396278 1 5053 1 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 0 9.269327 66.25897 0.5905293 1 5054 1 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 0 9.48634 64.76128 0.41041443 1 5055 1 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 0 10.110443 64.345345 -0.5649309 1 5056 1 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 0 10.626356 66.971886 0.71619576 1 5057 1 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 0 10.501131 68.48159 0.6032313 1 5058 1 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 0 9.713229 68.98245 -0.18938795 1 5059 1 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 0 11.290989 69.22398 1.3771142 1 5060 1 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 0 9.015055 63.968174 1.3552669 1 5061 1 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 0 9.160752 62.521347 1.2931505 1 5062 1 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 0 10.583277 62.030914 1.454174 1 5063 1 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 0 10.928165 60.973274 0.93034065 1 5064 1 +ATOM N N . THR C0 3 231 . 231 THR C0 N 0 11.394869 62.74278 2.2021375 1 5065 1 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 0 12.802761 62.40638 2.3395624 1 5066 1 +ATOM C C . THR C0 3 231 . 231 THR C0 C 0 13.189577 61.946518 3.7424045 1 5067 1 +ATOM O O . THR C0 3 231 . 231 THR C0 O 0 14.225811 61.3079 3.9127924 1 5068 1 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 0 13.697138 63.59603 1.9460682 1 5069 1 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 0 13.365612 64.71966 2.7564902 1 5070 1 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 0 13.502768 63.96499 0.48113424 1 5071 1 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 0 12.383003 62.265724 4.757495 1 5072 1 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 0 12.73064 61.921223 6.131974 1 5073 1 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 0 11.486903 61.55105 6.9341164 1 5074 1 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 0 10.461331 62.234367 6.836294 1 5075 1 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 0 13.455977 63.10943 6.8023453 1 5076 1 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 0 13.884485 62.844967 8.234277 1 5077 1 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 0 14.554284 64.081635 8.83156 1 5078 1 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 0 14.944156 63.824295 10.291589 1 5079 1 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 0 15.553663 65.0173 10.90193 1 5080 1 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 0 11.60888 60.49919 7.698427 1 5081 1 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 0 10.515727 60.124268 8.59166 1 5082 1 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 0 10.43312 61.147438 9.714799 1 5083 1 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 0 11.4611845 61.562584 10.258726 1 5084 1 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 0 10.7481 58.73201 9.17928 1 5085 1 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 0 10.5700035 57.57129 8.198797 1 5086 1 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 0 11.214361 56.316452 8.756964 1 5087 1 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 0 9.090882 57.34498 7.9269257 1 5088 1 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 0 9.21917 61.5461 10.057665 1 5089 1 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 0 9.048943 62.509087 11.134184 1 5090 1 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 0 8.057432 61.98724 12.165907 1 5091 1 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 0 7.2033186 61.150436 11.867156 1 5092 1 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 0 8.591559 63.870094 10.599348 1 5093 1 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 0 7.2582655 63.84486 9.871822 1 5094 1 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 0 6.8954186 65.19513 9.288799 1 5095 1 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 0 7.7181964 66.128685 9.33943 1 5096 1 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 0 5.759299 65.335335 8.774184 1 5097 1 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 0 8.238184 62.486988 13.389651 1 5098 1 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 0 7.3882065 62.023342 14.465185 1 5099 1 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 0 7.778949 60.631123 14.931508 1 5100 1 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 0 8.836084 60.110397 14.562836 1 5101 1 +ATOM N N . SER C0 3 236 . 236 SER C0 N 0 6.921525 60.03621 15.728614 1 5102 1 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 0 7.1625423 58.691933 16.25396 1 5103 1 +ATOM C C . SER C0 3 236 . 236 SER C0 C 0 6.296674 57.671795 15.539173 1 5104 1 +ATOM O O . SER C0 3 236 . 236 SER C0 O 0 5.213079 57.9948 15.050841 1 5105 1 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 0 6.8777876 58.647102 17.757797 1 5106 1 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 0 7.7075834 59.549507 18.475386 1 5107 1 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 0 6.8007092 56.450233 15.460586 1 5108 1 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 0 5.996954 55.363297 14.918323 1 5109 1 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 0 4.824193 55.113373 15.863559 1 5110 1 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 0 5.00656 55.058807 17.079134 1 5111 1 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 0 6.8484807 54.116333 14.747855 1 5112 1 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 0 3.6341016 54.93564 15.296358 1 5113 1 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 0 2.428841 54.71872 16.084309 1 5114 1 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 0 1.8707242 53.326538 15.780365 1 5115 1 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 0 1.7286731 52.94503 14.613691 1 5116 1 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 0 1.3688931 55.7957 15.78375 1 5117 1 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 0 0.101420015 55.53546 16.574692 1 5118 1 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 0 1.9161463 57.188652 16.09169 1 5119 1 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 0 1.5808856 52.57925 16.82743 1 5120 1 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 0 1.0421634 51.236374 16.656242 1 5121 1 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 0 -0.40921646 51.308052 16.18861 1 5122 1 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 0 -1.2264745 52.042767 16.760807 1 5123 1 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 0 1.1353757 50.453316 17.970371 1 5124 1 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 0 0.5869252 49.036064 17.844234 1 5125 1 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 0 0.72878575 48.225048 19.114353 1 5126 1 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 0 1.5193235 48.62944 19.995113 1 5127 1 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 0 0.059582394 47.178677 19.24775 1 5128 1 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 0 -0.71824753 50.54596 15.16708 1 5129 1 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 0 -2.089025 50.451427 14.669086 1 5130 1 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 0 -2.8605857 49.484657 15.558583 1 5131 1 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 0 -2.4250007 48.35468 15.777847 1 5132 1 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 0 -2.0959377 49.996227 13.198566 1 5133 1 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 0 -1.5678535 51.139126 12.318523 1 5134 1 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 0 -3.49371 49.56145 12.760567 1 5135 1 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 0 -1.3934664 50.776196 10.853519 1 5136 1 +ATOM N N . THR C0 3 241 . 241 THR C0 N 0 -3.993229 49.920677 16.072731 1 5137 1 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 0 -4.7737045 49.103157 16.986923 1 5138 1 +ATOM C C . THR C0 3 241 . 241 THR C0 C 0 -6.1908607 48.833782 16.488304 1 5139 1 +ATOM O O . THR C0 3 241 . 241 THR C0 O 0 -6.955311 48.157307 17.171227 1 5140 1 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 0 -4.856942 49.75447 18.386105 1 5141 1 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 0 -5.471369 51.037704 18.26368 1 5142 1 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 0 -3.4670596 49.91749 18.996506 1 5143 1 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 0 -6.529008 49.36786 15.320259 1 5144 1 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 0 -7.83955 49.112305 14.741708 1 5145 1 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 0 -7.7707686 49.25185 13.224976 1 5146 1 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 0 -6.8856335 49.91915 12.683586 1 5147 1 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 0 -8.903722 50.059433 15.317662 1 5148 1 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 0 -8.53371 51.52435 15.305801 1 5149 1 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 0 -9.444941 52.316048 16.228334 1 5150 1 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 0 -9.016935 53.763565 16.303707 1 5151 1 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 0 -9.812487 54.494263 17.305193 1 5152 1 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 0 -8.722916 48.615448 12.5393505 1 5153 1 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 0 -8.708292 48.553516 11.079281 1 5154 1 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 0 -8.79337 49.93987 10.445485 1 5155 1 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 0 -8.196264 50.174767 9.390606 1 5156 1 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 0 -9.859873 47.675224 10.58256 1 5157 1 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 0 -9.889357 47.36526 9.085716 1 5158 1 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 0 -11.14142 46.554882 8.752739 1 5159 1 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 0 -8.6307955 46.633213 8.670307 1 5160 1 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 0 -9.533386 50.84985 11.053637 1 5161 1 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 0 -9.674671 52.201694 10.524071 1 5162 1 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 0 -8.327215 52.891785 10.351278 1 5163 1 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 0 -8.152647 53.689835 9.428444 1 5164 1 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 0 -10.553336 53.05424 11.448341 1 5165 1 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 0 -12.008288 52.6485 11.422269 1 5166 1 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 0 -12.413022 51.892666 10.515757 1 5167 1 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 0 -12.754854 53.088406 12.32394 1 5168 1 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 0 -7.3716288 52.58727 11.22204 1 5169 1 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 0 -6.057106 53.212326 11.151757 1 5170 1 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 0 -5.254985 52.698257 9.960163 1 5171 1 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 0 -4.4472837 53.435287 9.394184 1 5172 1 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 0 -5.2979336 52.989716 12.463007 1 5173 1 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 0 -5.9790173 53.660507 13.642195 1 5174 1 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 0 -5.3605003 53.30751 14.972662 1 5175 1 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 0 -5.845976 53.811268 16.00709 1 5176 1 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 0 -4.394027 52.51657 15.008499 1 5177 1 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 0 -5.4458036 51.42285 9.586052 1 5178 1 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 0 -4.7896314 50.90892 8.381769 1 5179 1 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 0 -5.3868904 51.587193 7.1553426 1 5180 1 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 0 -4.6586914 52.02289 6.260873 1 5181 1 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 0 -4.924717 49.38279 8.268084 1 5182 1 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 0 -4.328106 48.690712 9.500934 1 5183 1 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 0 -4.2410383 48.8888 6.9888496 1 5184 1 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 0 -4.454076 47.176666 9.458093 1 5185 1 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 0 -6.716819 51.680904 7.1185207 1 5186 1 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 0 -7.3785777 52.32463 5.9883866 1 5187 1 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 0 -6.9347105 53.77693 5.846779 1 5188 1 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 0 -6.710397 54.263935 4.728366 1 5189 1 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 0 -8.901389 52.23665 6.1420045 1 5190 1 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 0 -9.447766 50.8246 5.998022 1 5191 1 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 0 -10.972625 50.8243 6.0490427 1 5192 1 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 0 -11.511159 49.427444 5.8013096 1 5193 1 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 0 -12.992893 49.403008 5.791149 1 5194 1 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 0 -6.7839937 54.468178 6.9764385 1 5195 1 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 0 -6.3134484 55.85107 6.9464793 1 5196 1 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 0 -4.90529 55.95032 6.3632994 1 5197 1 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 0 -4.5792513 56.89749 5.640231 1 5198 1 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 0 -6.3524685 56.448883 8.360352 1 5199 1 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 0 -5.9383497 57.911346 8.388094 1 5200 1 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 0 -6.618225 58.762383 7.8158336 1 5201 1 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 0 -4.8319016 58.21858 9.04489 1 5202 1 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 0 -4.0681796 54.982452 6.663981 1 5203 1 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 0 -2.699501 54.98242 6.1685095 1 5204 1 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 0 -2.6384897 54.749214 4.665367 1 5205 1 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 0 -1.6167847 55.06054 4.038267 1 5206 1 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 0 -1.8807099 53.93142 6.9043283 1 5207 1 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 0 -3.6921666 54.18929 4.0858383 1 5208 1 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 0 -3.721302 53.884666 2.659185 1 5209 1 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 0 -4.271999 55.045082 1.8262979 1 5210 1 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 0 -4.2058773 54.99318 0.59509397 1 5211 1 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 0 -4.554992 52.628563 2.3995805 1 5212 1 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 0 -4.0782213 51.360897 3.0954123 1 5213 1 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 0 -5.0252347 50.222466 2.7672234 1 5214 1 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 0 -2.651669 51.02469 2.7149773 1 5215 1 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 0 -4.786645 56.06947 2.4354777 1 5216 1 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 0 -5.338976 57.218285 1.7272341 1 5217 1 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 0 -4.2617846 58.017487 1.0081532 1 5218 1 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 0 -3.1008818 58.04509 1.4311421 1 5219 1 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 0 -6.0824213 58.153347 2.6911578 1 5220 1 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 0 -7.351707 57.542797 3.2499027 1 5221 1 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 0 -8.037828 58.53377 4.2016196 1 5222 1 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 0 -9.311926 57.907154 4.766595 1 5223 1 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 0 -9.967962 58.81035 5.699461 1 5224 1 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 0 -4.5186195 58.55272 -0.076893196 1 5225 1 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 0 2.1844876 1.9621489 -8.615158 1 5226 1 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 0 2.1511564 1.1016115 -9.652357 1 5227 1 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 0 0.8713167 2.631076 -8.428873 1 5228 1 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 0 0.93991333 3.5242548 -7.398566 1 5229 1 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 0 15.840147 -17.445925 1.2936382 1 5230 1 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 0 15.122667 -18.60661 1.400682 1 5231 1 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 0 17.30597 -17.744633 1.3813972 1 5232 1 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 0 17.986431 -16.585526 1.6661332 1 5233 1 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 0 -6.552383 18.667171 -6.066723 1 5234 1 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 0 -6.2728357 18.594625 -4.7355213 1 5235 1 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 0 -7.7143993 17.80406 -6.418392 1 5236 1 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 0 -7.3707304 16.950521 -7.440605 1 5237 1 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 0 7.536543 -10.361626 -2.7128165 1 5238 1 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 0 6.952592 -11.593994 -2.7847784 1 5239 1 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 0 8.808111 -10.436523 -1.9249016 1 5240 1 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 0 9.586664 -9.353369 -2.1970801 1 5241 1 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 0 6.79733 20.933205 23.284512 1 5242 1 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 0 7.84492 20.10101 23.4331 1 5243 1 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 0 7.1658325 22.32994 23.616774 1 5244 1 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 0 6.094753 23.144852 23.44707 1 5245 1 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 0 -12.429922 48.25774 13.682716 1 5246 1 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 0 -11.705696 49.365852 13.659627 1 5247 1 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 0 -11.5869665 47.062553 13.962411 1 5248 1 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 0 -12.155609 45.931427 13.426093 1 5249 1 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 0 1.731146 1.3310122 -5.074126 1 5250 1 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 0 -13.821336 8.825001 -14.397104 1 5251 1 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 0 -7.886786 15.8635845 -3.4617577 1 5252 1 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 0 1.5888364 -12.3561535 20.851534 1 5253 1 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 0 -2.5954742 16.073736 12.222181 1 5254 1 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 0 4.4796934 4.5234146 29.861782 1 5255 1 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 0 -5.4910774 20.958004 25.05194 1 5256 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +4 non-polymer +5 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_3.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_3.cif new file mode 100644 index 0000000000000000000000000000000000000000..c48bf9ba5e31c39563e45c22c5f0aa2a1647f27b --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_3.cif @@ -0,0 +1,6681 @@ +data_8tuz-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 85.16 -20.316956 -6.1187534 9.388826 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 88.67 -19.65165 -7.3408756 9.814018 1 2 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 91.02 -18.985703 -8.038983 8.636751 1 3 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 89.45 -19.135183 -9.253262 8.428758 1 4 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 83.98 -20.66019 -8.282408 10.500811 1 5 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 78.91 -20.005966 -9.411762 11.275026 1 6 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 75.39 -21.041008 -10.305165 11.95467 1 7 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 71.09 -22.191357 -9.848716 12.156632 1 8 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 69.92 -20.70273 -11.455289 12.290114 1 9 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 92.58 -18.26306 -7.26574 7.825939 1 10 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 93.36 -17.512686 -7.8317556 6.709745 1 11 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 94.14 -16.35011 -8.661746 7.2538433 1 12 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 93.36 -15.625942 -8.209503 8.148283 1 13 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 92.19 -16.974499 -6.72312 5.7822647 1 14 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 90.62 -16.0692 -7.311515 4.705509 1 15 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 89.45 -18.129412 -5.9495106 5.1625957 1 16 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 96.09 -16.176031 -9.875067 6.739157 1 17 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 96.09 -15.083178 -10.741556 7.1588306 1 18 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 96.48 -14.464357 -11.455573 5.9627876 1 19 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 96.09 -15.176 -11.846973 5.030435 1 20 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 94.53 -15.564979 -11.797495 8.160282 1 21 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 90.23 -15.902295 -11.261306 9.528603 1 22 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 87.5 -16.202381 -12.382757 10.506176 1 23 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 83.98 -17.282679 -12.962368 10.48136 1 24 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 82.03 -15.233806 -12.71649 11.343319 1 25 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 96.88 -13.152475 -11.611756 5.9973135 1 26 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 97.27 -12.414102 -12.410058 5.0325356 1 27 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 97.27 -11.598324 -13.408059 5.8408704 1 28 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 96.48 -10.711443 -13.011152 6.6015425 1 29 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 96.88 -11.495084 -11.534334 4.1685877 1 30 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 96.09 -12.17721 -10.558404 3.2074583 1 31 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 94.92 -11.144142 -9.623663 2.5811856 1 32 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 94.53 -12.935721 -11.310408 2.128684 1 33 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 96.88 -11.917404 -14.698895 5.720158 1 34 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 96.48 -11.255959 -15.746894 6.499003 1 35 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 96.88 -10.433701 -16.62819 5.5632887 1 36 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 96.88 -10.97547 -17.234604 4.63233 1 37 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 96.48 -12.27746 -16.599094 7.27687 1 38 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 94.92 -11.565177 -17.695778 8.057697 1 39 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 94.92 -13.099216 -15.712089 8.215359 1 40 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 96.88 -9.127544 -16.691124 5.8209095 1 41 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 96.88 -8.223244 -17.451504 4.972081 1 42 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 96.09 -7.9604573 -18.851116 5.519292 1 43 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 95.7 -8.189313 -19.121254 6.6961875 1 44 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 96.88 -6.9006634 -16.698097 4.7971954 1 45 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 96.09 -7.0712442 -15.351612 4.1179132 1 46 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 97.27 -5.778126 -14.592781 3.9172077 1 47 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 89.45 -5.6754074 -13.417376 4.24975 1 48 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 86.72 -4.76822 -15.260688 3.3714101 1 49 +ATOM N N . SER A0 1 7 . 7 SER A0 N 95.7 -7.4761534 -19.73778 4.6336737 1 50 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 95.31 -7.1553655 -21.10595 5.017866 1 51 +ATOM C C . SER A0 1 7 . 7 SER A0 C 94.92 -5.905184 -21.131573 5.8957067 1 52 +ATOM O O . SER A0 1 7 . 7 SER A0 O 94.14 -5.1940036 -20.13556 6.0268583 1 53 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 95.31 -6.950568 -21.971743 3.7694108 1 54 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 94.53 -6.014474 -21.385426 2.8867743 1 55 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 92.58 -5.63384 -22.285957 6.513618 1 56 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 92.19 -4.5493913 -22.426092 7.4654765 1 57 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 93.36 -3.1608715 -22.496315 6.8617196 1 58 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 92.58 -2.9840207 -22.563383 5.643588 1 59 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 91.8 -2.1689155 -22.490284 7.7565694 1 60 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 91.41 -0.76148987 -22.548588 7.387181 1 61 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 92.58 -0.45281106 -23.777676 6.5401945 1 62 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 91.8 -1.0041057 -24.856083 6.7633147 1 63 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 89.06 0.09470835 -22.565449 8.657658 1 64 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 85.16 1.5864371 -22.609316 8.415138 1 65 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 82.03 2.389247 -22.695454 9.708319 1 66 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 78.52 3.4194474 -22.005632 9.818726 1 67 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 77.34 1.9672879 -23.44667 10.614817 1 68 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 92.58 0.441033 -23.598364 5.5376186 1 69 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 92.58 0.8218918 -24.686472 4.648596 1 70 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 92.58 2.3315802 -24.889355 4.6639466 1 71 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 91.8 3.0868726 -23.911694 4.615753 1 72 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 92.19 0.37205487 -24.400372 3.2076607 1 73 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 91.02 -1.1394806 -24.26242 3.0219958 1 74 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 89.45 -1.8547676 -25.590118 2.911687 1 75 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 87.11 -3.095859 -25.57265 2.802826 1 76 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 87.11 -1.1913404 -26.650513 2.9296114 1 77 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 92.19 2.773417 -26.144135 4.743679 1 78 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 91.8 4.1820292 -26.518576 4.6544933 1 79 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 92.19 4.300885 -27.508663 3.5022142 1 80 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 92.19 3.790289 -28.630198 3.5879748 1 81 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 90.62 4.7035723 -27.13971 5.9664955 1 82 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 89.06 6.1885405 -27.48258 5.8313265 1 83 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 88.28 4.484166 -26.171202 7.1343555 1 84 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 94.14 4.958887 -27.093538 2.425204 1 85 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 94.14 5.046583 -27.896063 1.2056457 1 86 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 94.53 6.4830985 -28.02032 0.71280324 1 87 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 93.75 7.378807 -27.283463 1.1488528 1 88 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 94.14 4.1869497 -27.276543 0.09705919 1 89 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 92.58 2.6924522 -27.311451 0.3566321 1 90 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 92.19 2.1541378 -28.714144 0.119196944 1 91 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 90.62 0.6337839 -28.737612 0.2475086 1 92 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 89.06 0.10844378 -30.061203 -0.08633715 1 93 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 94.92 6.709944 -28.96437 -0.21341792 1 94 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 94.53 8.011965 -29.172298 -0.82715404 1 95 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 95.31 8.040448 -28.53171 -2.2100878 1 96 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 94.92 6.994223 -28.39357 -2.8543441 1 97 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 93.75 8.323363 -30.666489 -0.9438796 1 98 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 90.23 8.466701 -31.374222 0.39129588 1 99 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 87.11 8.854185 -32.834297 0.20101225 1 100 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 82.81 9.056566 -33.51647 1.541851 1 101 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 78.12 9.460987 -34.924583 1.3778548 1 102 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 96.09 9.2466755 -28.126648 -2.6922278 1 103 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 95.7 9.3386 -27.543846 -4.0329294 1 104 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 95.7 8.793683 -28.511635 -5.083058 1 105 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 95.31 8.978501 -29.726646 -4.9795837 1 106 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 94.92 10.84203 -27.312355 -4.219103 1 107 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 93.75 11.374027 -27.165342 -2.8279672 1 108 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 94.92 10.553336 -28.133972 -2.0155964 1 109 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 96.09 8.110865 -27.95846 -6.0838003 1 110 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 96.09 7.5384874 -28.76754 -7.141428 1 111 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 96.09 6.112419 -29.206514 -6.894581 1 112 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 95.7 5.4256916 -29.625406 -7.831059 1 113 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 96.09 5.6604857 -29.103085 -5.6364985 1 114 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 95.7 4.2909207 -29.491476 -5.3166003 1 115 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 96.09 3.3210454 -28.36926 -5.6627517 1 116 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 95.7 3.7139995 -27.202915 -5.781456 1 117 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 95.31 4.163369 -29.853823 -3.8358705 1 118 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 93.75 4.9481716 -31.099491 -3.452776 1 119 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 93.75 4.7011185 -31.529652 -2.0256352 1 120 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 91.02 4.8526464 -32.728737 -1.7357304 1 121 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 91.02 4.3494215 -30.67537 -1.1876578 1 122 +ATOM N N . SER A0 1 17 . 17 SER A0 N 96.88 2.0682292 -28.711966 -5.831672 1 123 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 96.88 1.0310479 -27.727283 -6.0978985 1 124 +ATOM C C . SER A0 1 17 . 17 SER A0 C 96.88 0.37395018 -27.305618 -4.785516 1 125 +ATOM O O . SER A0 1 17 . 17 SER A0 O 96.48 0.43233013 -28.025242 -3.785992 1 126 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 96.09 -0.023904279 -28.29071 -7.052785 1 127 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 91.8 -0.7122928 -29.38084 -6.4599233 1 128 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 96.88 -0.219818 -26.109835 -4.798007 1 129 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 96.88 -0.87720364 -25.592989 -3.6069407 1 130 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 96.88 -1.9902135 -24.637808 -4.003155 1 131 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 96.48 -1.8451226 -23.871002 -4.9606314 1 132 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 96.48 0.13221598 -24.875729 -2.6916509 1 133 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 94.92 -0.44672662 -24.198887 -1.442836 1 134 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 94.14 0.6265086 -23.384937 -0.7303885 1 135 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 93.75 -1.0602541 -25.232971 -0.5030601 1 136 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 97.27 -3.0820127 -24.693842 -3.2709446 1 137 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 97.27 -4.2118244 -23.800209 -3.4853737 1 138 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 97.27 -4.7062654 -23.324928 -2.1262133 1 139 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 96.88 -5.1834583 -24.121407 -1.318767 1 140 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 96.48 -5.3336296 -24.52499 -4.2357383 1 141 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 94.53 -6.4572086 -23.62246 -4.7282104 1 142 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 92.97 -7.410906 -24.41843 -5.6191998 1 143 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 89.45 -8.455713 -23.52266 -6.267254 1 144 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 86.33 -9.316286 -24.294699 -7.194275 1 145 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 97.66 -4.5561266 -22.019543 -1.8541005 1 146 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 97.66 -5.021651 -21.463058 -0.59129566 1 147 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 97.27 -6.28629 -20.65809 -0.8575272 1 148 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 97.27 -6.5282555 -20.200031 -1.9787611 1 149 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 96.88 -3.947237 -20.599155 0.109865695 1 150 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 94.14 -3.5373735 -19.41534 -0.75587773 1 151 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 93.75 -2.7177734 -21.464045 0.43365812 1 152 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 93.75 -2.5376668 -18.46809 -0.080015026 1 153 +ATOM N N . SER A0 1 21 . 21 SER A0 N 97.27 -7.114127 -20.495008 0.18723278 1 154 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 97.27 -8.43046 -19.901348 0.009061845 1 155 +ATOM C C . SER A0 1 21 . 21 SER A0 C 97.27 -8.698441 -18.688934 0.8955319 1 156 +ATOM O O . SER A0 1 21 . 21 SER A0 O 97.27 -8.006226 -18.454502 1.8877106 1 157 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 96.88 -9.521846 -20.95337 0.25138006 1 158 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 94.53 -9.518245 -21.381058 1.6017992 1 159 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 97.66 -9.707343 -17.93115 0.5077826 1 160 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 97.27 -10.168444 -16.74202 1.2157972 1 161 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 97.27 -11.68409 -16.683376 1.0705041 1 162 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 97.27 -12.195015 -16.516006 -0.04006409 1 163 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 96.48 -9.516977 -15.494307 0.625994 1 164 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 94.92 -10.152027 -13.9293785 1.2307549 1 165 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 97.27 -12.404632 -16.863173 2.1735728 1 166 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 97.27 -13.866978 -16.875053 2.1596694 1 167 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 97.27 -14.412076 -15.55304 2.6881428 1 168 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 96.88 -14.044884 -15.114902 3.7824793 1 169 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 96.88 -14.40818 -18.034399 2.9990923 1 170 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 93.36 -15.919327 -18.137234 3.0105247 1 171 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 91.02 -16.396843 -19.343761 3.7884803 1 172 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 87.5 -17.914614 -19.395786 3.8782759 1 173 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 83.59 -18.53326 -19.62221 2.5491705 1 174 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 96.09 -15.293878 -14.918078 1.9081815 1 175 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 96.48 -15.886022 -13.650209 2.3047986 1 176 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 96.09 -17.287853 -13.817038 2.859999 1 177 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 95.7 -18.024616 -14.714292 2.4542131 1 178 +ATOM N N . SER A0 1 25 . 25 SER A0 N 95.31 -17.6657 -12.957203 3.798452 1 179 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 95.31 -19.003124 -12.966476 4.366254 1 180 +ATOM C C . SER A0 1 25 . 25 SER A0 C 94.92 -19.359549 -11.564935 4.8535476 1 181 +ATOM O O . SER A0 1 25 . 25 SER A0 O 94.53 -18.480705 -10.723129 5.0517216 1 182 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 94.53 -19.104616 -13.973948 5.523863 1 183 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 92.97 -18.242859 -13.626663 6.59 1 184 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 92.97 -20.676521 -11.306074 5.0394955 1 185 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 92.97 -21.131445 -10.037394 5.5619917 1 186 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 92.97 -21.322248 -8.94593 4.5176415 1 187 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 92.19 -21.565292 -7.7948384 4.8820796 1 188 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 92.58 -21.2224 -9.297207 3.2201471 1 189 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 92.58 -21.417147 -8.340299 2.1336823 1 190 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 92.19 -21.736313 -9.1100025 0.8604293 1 191 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 91.8 -21.61335 -10.342832 0.8292805 1 192 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 92.97 -20.173653 -7.4582214 1.9475136 1 193 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 92.97 -18.975828 -8.195352 1.3974319 1 194 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 92.58 -18.17328 -8.975109 2.2236066 1 195 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 91.8 -18.654133 -8.116591 0.049028542 1 196 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 91.41 -17.0768 -9.661506 1.7193077 1 197 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 91.41 -17.562368 -8.792759 -0.4669283 1 198 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 92.19 -16.777359 -9.5655365 0.37380376 1 199 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 91.8 -15.6893215 -10.239029 -0.13789937 1 200 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 92.19 -22.158749 -8.413635 -0.20496915 1 201 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 91.8 -22.452965 -9.059172 -1.4762428 1 202 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 92.97 -21.14436 -9.429312 -2.1623192 1 203 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 92.58 -20.509026 -8.592166 -2.8212361 1 204 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 90.23 -23.299904 -8.137669 -2.363532 1 205 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 85.94 -23.826637 -8.8228 -3.6096585 1 206 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 82.42 -24.733852 -7.889749 -4.4077253 1 207 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 77.73 -25.244648 -8.571747 -5.666071 1 208 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 73.44 -26.109116 -7.6770935 -6.44893 1 209 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 93.36 -20.719173 -10.677887 -2.0004475 1 210 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 93.75 -19.419586 -11.190344 -2.43004 1 211 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 93.36 -19.08722 -10.908029 -3.8988414 1 212 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 92.97 -17.95559 -10.546569 -4.226472 1 213 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 94.53 -19.366488 -12.697136 -2.1575246 1 214 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 94.92 -18.072788 -13.354141 -2.5714903 1 215 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 94.14 -18.021875 -14.14764 -3.7119293 1 216 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 93.36 -16.925476 -13.208822 -1.8168299 1 217 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 93.36 -16.84853 -14.769604 -4.087312 1 218 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 93.36 -15.748627 -13.828213 -2.1908658 1 219 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 94.92 -15.706032 -14.615519 -3.3287196 1 220 +ATOM N N . SER A0 1 30 . 30 SER A0 N 93.36 -20.076591 -11.056187 -4.803173 1 221 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 92.58 -19.84377 -10.906376 -6.22987 1 222 +ATOM C C . SER A0 1 30 . 30 SER A0 C 92.97 -19.749075 -9.456619 -6.699376 1 223 +ATOM O O . SER A0 1 30 . 30 SER A0 O 92.19 -19.508278 -9.218309 -7.8884916 1 224 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 92.19 -20.933056 -11.63797 -7.026124 1 225 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 90.23 -22.206635 -11.090413 -6.7589993 1 226 +ATOM N N . SER A0 1 31 . 31 SER A0 N 91.02 -19.918377 -8.487642 -5.790166 1 227 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 90.62 -19.93713 -7.0770617 -6.1513486 1 228 +ATOM C C . SER A0 1 31 . 31 SER A0 C 91.8 -18.635883 -6.3270636 -5.868126 1 229 +ATOM O O . SER A0 1 31 . 31 SER A0 O 91.41 -18.563622 -5.1165295 -6.085269 1 230 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 89.06 -21.085003 -6.3611946 -5.4308724 1 231 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 87.11 -22.340408 -6.8971734 -5.811139 1 232 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 93.36 -17.60323 -7.0303946 -5.39114 1 233 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 93.75 -16.339073 -6.383087 -5.0621433 1 234 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 94.14 -15.152303 -7.1915016 -5.5695868 1 235 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 94.14 -15.179756 -8.422669 -5.552823 1 236 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 92.97 -16.187466 -6.204415 -3.5431252 1 237 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 91.8 -17.229042 -5.2998886 -2.9316578 1 238 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 90.23 -18.442833 -5.809171 -2.4819627 1 239 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 89.45 -17.003563 -3.9350116 -2.803082 1 240 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 87.89 -19.402012 -4.9811807 -1.9309965 1 241 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 87.5 -17.961477 -3.100908 -2.251906 1 242 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 87.89 -19.154083 -3.632154 -1.8174515 1 243 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 87.11 -20.097412 -2.8184516 -1.2720494 1 244 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 95.31 -14.101988 -6.4994836 -5.9900723 1 245 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 95.7 -12.845526 -7.1421957 -6.3383675 1 246 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 95.7 -12.209005 -7.691985 -5.063213 1 247 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 95.7 -12.36443 -7.1207805 -3.9733777 1 248 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 94.92 -11.869677 -6.1373625 -6.950969 1 249 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 93.75 -12.240211 -5.5634384 -8.274517 1 250 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 91.8 -12.942125 -4.4224215 -8.497884 1 251 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 92.19 -11.877152 -6.0689464 -9.555256 1 252 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 89.84 -13.042559 -4.189994 -9.8453045 1 253 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 90.62 -12.403152 -5.1888747 -10.521959 1 254 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 90.23 -11.1695 -7.1990266 -9.985581 1 255 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 89.84 -12.222475 -5.386045 -11.889891 1 256 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 90.62 -10.993821 -7.399896 -11.348704 1 257 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 90.62 -11.528563 -6.501402 -12.279453 1 258 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 96.88 -11.4817705 -8.812595 -5.176871 1 259 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 96.88 -10.684962 -9.354853 -4.0781612 1 260 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 96.88 -9.248027 -9.463766 -4.581564 1 261 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 96.48 -9.00087 -10.034758 -5.6458974 1 262 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 96.88 -11.176344 -10.738333 -3.62081 1 263 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 94.53 -12.6225195 -10.65275 -3.1051536 1 264 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 94.53 -10.242603 -11.291631 -2.5284047 1 265 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 92.97 -12.7983265 -9.833227 -1.8325076 1 266 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 97.66 -8.316721 -8.88772 -3.8230166 1 267 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 97.27 -6.9171987 -8.918612 -4.2209587 1 268 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 98.05 -6.090953 -9.813292 -3.3265655 1 269 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 97.66 -6.5045757 -10.167231 -2.2186723 1 270 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 97.66 -4.904855 -10.195747 -3.830863 1 271 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 97.66 -3.9402723 -10.979096 -3.0717227 1 272 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 97.66 -2.653461 -10.179594 -2.954112 1 273 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 97.27 -2.1882467 -9.573256 -3.929395 1 274 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 97.66 -3.6566014 -12.330784 -3.7531214 1 275 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 98.05 -4.7551074 -13.329578 -3.6132774 1 276 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 97.27 -5.7485485 -13.594931 -4.508535 1 277 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 97.66 -4.9756775 -14.203038 -2.5034683 1 278 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 97.27 -6.571539 -14.57711 -4.022951 1 279 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 97.27 -6.118548 -14.9689045 -2.7939782 1 280 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 97.27 -4.3096776 -14.410023 -1.2942224 1 281 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 97.27 -6.619051 -15.930637 -1.9174626 1 282 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 97.27 -4.8114905 -15.365455 -0.4232859 1 283 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 97.27 -5.948723 -16.112297 -0.74447197 1 284 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 97.66 -2.0931087 -10.195075 -1.7524147 1 285 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 97.66 -0.8755559 -9.453361 -1.4460227 1 286 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 98.05 0.13092569 -10.394896 -0.7987013 1 287 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 97.66 -0.21470091 -11.12071 0.14912072 1 288 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 97.27 -1.164998 -8.25758 -0.5082603 1 289 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 96.09 0.12708 -7.556592 -0.10394886 1 290 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 95.7 -2.1277144 -7.2784734 -1.1752708 1 291 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 98.05 1.388022 -10.39629 -1.2914118 1 292 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 97.66 2.4469843 -11.216581 -0.72617173 1 293 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 98.05 3.3299892 -10.37134 0.18274376 1 294 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 97.27 3.6158023 -9.211485 -0.112679005 1 295 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 97.27 3.3175979 -11.828438 -1.8363092 1 296 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 94.92 4.4591827 -12.709503 -1.3026211 1 297 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 93.36 5.2913265 -13.28165 -2.439406 1 298 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 92.19 6.2252617 -12.27893 -2.9826581 1 299 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 91.41 7.1199203 -12.548643 -3.9359274 1 300 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 90.23 7.2174125 -13.784431 -4.4435644 1 301 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 91.02 7.9125357 -11.576007 -4.375099 1 302 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 96.88 3.7624416 -10.973538 1.2939808 1 303 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 96.88 4.728674 -10.326057 2.1763926 1 304 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 96.88 5.775073 -11.353346 2.5863662 1 305 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 96.09 5.518883 -12.221392 3.415929 1 306 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 96.48 4.0533786 -9.724348 3.409443 1 307 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 96.09 5.0297966 -8.920512 4.262632 1 308 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 96.48 4.344983 -8.106436 5.329886 1 309 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 93.36 3.434618 -8.581268 6.005089 1 310 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 93.36 4.7771635 -6.8488026 5.4848213 1 311 +ATOM N N . MET A0 1 40 . 40 MET A0 N 94.53 6.9521613 -11.24806 1.9657295 1 312 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 94.14 8.043691 -12.164862 2.2878947 1 313 +ATOM C C . MET A0 1 40 . 40 MET A0 C 94.53 8.605752 -11.804096 3.6536176 1 314 +ATOM O O . MET A0 1 40 . 40 MET A0 O 93.75 8.454445 -10.669166 4.113472 1 315 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 93.36 9.12647 -12.095013 1.2143478 1 316 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 91.8 8.616193 -12.533213 -0.15347002 1 317 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 90.23 9.851473 -12.384131 -1.4659672 1 318 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 86.72 10.891514 -13.791234 -1.0852804 1 319 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 89.84 9.242126 -12.766373 4.3377256 1 320 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 88.67 9.739916 -12.499276 5.6962876 1 321 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 88.67 10.62902 -11.261585 5.765589 1 322 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 87.11 11.603959 -11.129444 5.0283036 1 323 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 87.11 10.531005 -13.769732 6.028825 1 324 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 85.55 9.838989 -14.844492 5.245077 1 325 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 86.72 9.469341 -14.172374 3.9412131 1 326 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 88.28 10.252874 -10.324608 6.6459236 1 327 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 87.5 11.004625 -9.101616 6.841488 1 328 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 88.67 10.900847 -8.079636 5.736331 1 329 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 87.11 11.646207 -7.0958366 5.741935 1 330 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 93.36 9.998257 -8.298441 4.77376 1 331 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 93.75 9.854812 -7.394582 3.631348 1 332 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 94.14 8.513737 -6.6677628 3.6518936 1 333 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 93.75 7.6584635 -6.9232655 4.5087104 1 334 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 92.19 10.011244 -8.168335 2.3217378 1 335 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 89.06 11.307619 -8.954678 2.208039 1 336 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 85.55 12.528604 -8.026251 2.1797614 1 337 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 82.81 13.814916 -8.819138 1.9969382 1 338 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 79.3 14.990208 -7.944948 1.9575582 1 339 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 94.92 8.323715 -5.766701 2.6853294 1 340 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 95.31 7.0947304 -5.001595 2.5846448 1 341 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 96.09 6.0120745 -5.729347 1.800508 1 342 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 95.7 6.0973167 -6.94094 1.5546947 1 343 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 97.27 4.985179 -4.980115 1.4061931 1 344 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 96.88 3.8329463 -5.542362 0.72350013 1 345 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 96.88 4.0137224 -5.535696 -0.79051757 1 346 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 96.48 4.486515 -4.554678 -1.3621515 1 347 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 97.27 2.5723615 -4.7511616 1.091588 1 348 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 97.27 2.2670484 -4.6394415 2.5916991 1 349 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 96.48 1.1470121 -3.6288435 2.8205287 1 350 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 95.7 1.8995539 -5.999174 3.1629908 1 351 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 97.66 3.6276524 -6.6487436 -1.4432113 1 352 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 97.27 3.7024229 -6.7831154 -2.8904376 1 353 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 97.66 2.3328905 -7.213414 -3.4059787 1 354 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 97.66 1.8519185 -8.298719 -3.0700946 1 355 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 96.09 4.7359324 -7.841337 -3.2939246 1 356 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 92.58 6.1548576 -7.579504 -2.8180337 1 357 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 91.02 7.060173 -8.758589 -3.1291208 1 358 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 89.45 7.135752 -9.693466 -2.3085608 1 359 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 88.28 7.681183 -8.749075 -4.214792 1 360 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 97.66 1.7243953 -6.372916 -4.2384233 1 361 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 97.27 0.4432583 -6.7159185 -4.8331017 1 362 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 97.27 0.6591921 -7.792712 -5.896373 1 363 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 96.88 1.5103759 -7.659008 -6.7611017 1 364 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 97.27 -0.1958577 -5.468613 -5.463175 1 365 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 96.88 -1.4677148 -5.77207 -6.180372 1 366 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 95.31 -2.676005 -6.0576496 -5.610181 1 367 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 96.09 -1.6792405 -5.8250337 -7.582511 1 368 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 94.53 -3.602236 -6.2803783 -6.585608 1 369 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 95.7 -3.021663 -6.1456656 -7.8090653 1 370 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 95.7 -0.8456087 -5.6264334 -8.696022 1 371 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 94.92 -3.5521815 -6.2714415 -9.085168 1 372 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 94.92 -1.3754892 -5.757776 -9.963667 1 373 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 94.53 -2.7150698 -6.076208 -10.146529 1 374 +ATOM N N . MET A0 1 48 . 48 MET A0 N 97.27 -0.109935105 -8.880093 -5.799348 1 375 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 97.66 0.029560821 -10.013679 -6.7083683 1 376 +ATOM C C . MET A0 1 48 . 48 MET A0 C 96.88 -0.97936696 -9.986448 -7.8458395 1 377 +ATOM O O . MET A0 1 48 . 48 MET A0 O 96.88 -0.62394094 -10.169134 -9.009083 1 378 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 97.27 -0.10524188 -11.33902 -5.946032 1 379 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 96.88 0.9121691 -11.518139 -4.8420634 1 380 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 97.27 0.65726614 -13.072589 -3.9475558 1 381 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 93.36 1.1613805 -14.250471 -5.1998844 1 382 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 96.88 -2.213711 -9.787657 -7.525324 1 383 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 96.88 -3.2729957 -9.787193 -8.516845 1 384 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 97.27 -4.618087 -9.542953 -7.8764496 1 385 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 96.88 -4.724205 -9.347416 -6.660941 1 386 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 96.48 -5.647517 -9.553663 -8.7133465 1 387 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 96.88 -6.9815364 -9.214822 -8.2471285 1 388 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 96.88 -8.019576 -9.939382 -9.099951 1 389 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 96.88 -7.763535 -10.256836 -10.271342 1 390 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 95.7 -7.180423 -7.678477 -8.288359 1 391 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 92.97 -8.358707 -7.2297974 -7.4280205 1 392 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 92.58 -7.300415 -7.1890984 -9.735485 1 393 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 90.62 -8.354957 -5.721244 -7.1584687 1 394 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 96.09 -9.185946 -10.239083 -8.520113 1 395 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 96.09 -10.254147 -10.908436 -9.248148 1 396 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 95.7 -11.597819 -10.294672 -8.880148 1 397 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 95.7 -11.815819 -9.880727 -7.73792 1 398 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 96.48 -10.262935 -12.439962 -8.973413 1 399 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 95.7 -11.25787 -13.153642 -9.891342 1 400 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 95.7 -10.582269 -12.730808 -7.495826 1 401 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 95.31 -11.142995 -14.673108 -9.879751 1 402 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 95.31 -12.510016 -10.208845 -9.877143 1 403 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 95.31 -13.8823395 -9.780602 -9.630775 1 404 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 95.7 -14.745436 -11.043713 -9.634557 1 405 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 95.7 -14.953115 -11.645792 -10.697111 1 406 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 94.53 -14.359249 -8.809185 -10.705765 1 407 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 93.75 -15.66498 -8.135398 -10.368652 1 408 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 92.19 -16.840027 -8.521647 -10.985153 1 409 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 91.8 -15.711262 -7.117232 -9.439917 1 410 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 90.62 -18.04061 -7.903879 -10.664133 1 411 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 90.23 -16.910385 -6.4939194 -9.119049 1 412 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 91.02 -18.07529 -6.891075 -9.732035 1 413 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 96.09 -15.222813 -11.509737 -8.456638 1 414 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 95.31 -15.925326 -12.7924 -8.374973 1 415 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 94.53 -17.16664 -12.907108 -9.251987 1 416 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 93.75 -17.520557 -14.020254 -9.661011 1 417 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 95.31 -16.282566 -12.89833 -6.8853827 1 418 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 94.92 -15.264885 -12.059921 -6.194501 1 419 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 96.09 -15.052147 -10.895728 -7.13273 1 420 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 94.53 -17.842373 -11.790703 -9.559076 1 421 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 94.14 -19.066029 -11.82365 -10.337874 1 422 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 94.14 -18.928421 -12.479604 -11.70204 1 423 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 93.36 -19.817444 -13.217945 -12.128273 1 424 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 94.14 -17.814043 -12.203409 -12.413828 1 425 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 93.75 -17.583858 -12.79734 -13.727388 1 426 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 94.14 -16.184471 -13.375071 -13.885795 1 427 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 94.14 -15.791088 -13.737779 -14.995087 1 428 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 92.58 -17.856434 -11.76119 -14.837881 1 429 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 92.19 -16.92145 -10.560203 -14.775118 1 430 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 91.41 -16.029646 -10.523045 -13.902854 1 431 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 88.67 -17.076607 -9.649013 -15.614424 1 432 +ATOM N N . SER A0 1 56 . 56 SER A0 N 94.92 -15.4520645 -13.48402 -12.786633 1 433 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 94.92 -14.103006 -14.053101 -12.752913 1 434 +ATOM C C . SER A0 1 56 . 56 SER A0 C 94.92 -13.083782 -13.285086 -13.592118 1 435 +ATOM O O . SER A0 1 56 . 56 SER A0 O 94.14 -12.055471 -13.842081 -13.990076 1 436 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 94.53 -14.116847 -15.529229 -13.155603 1 437 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 91.41 -14.819068 -16.298187 -12.192274 1 438 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 94.53 -13.339096 -12.010624 -13.838345 1 439 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 94.53 -12.363177 -11.140547 -14.486128 1 440 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 95.31 -11.173126 -11.026728 -13.532066 1 441 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 95.7 -11.358203 -10.823212 -12.3235 1 442 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 93.36 -12.979097 -9.754065 -14.729662 1 443 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 91.8 -12.089901 -8.808068 -15.516035 1 444 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 90.23 -10.997696 -9.224262 -15.96862 1 445 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 88.67 -12.485748 -7.638973 -15.692007 1 446 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 94.92 -9.955906 -11.196117 -14.05685 1 447 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 94.92 -8.77956 -11.139494 -13.190915 1 448 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 94.53 -7.6043296 -10.437706 -13.859136 1 449 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 93.75 -7.4598107 -10.453257 -15.075928 1 450 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 94.92 -8.3644905 -12.536242 -12.725554 1 451 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 94.53 -8.3434105 -13.5962925 -13.801111 1 452 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 93.36 -8.175407 -14.985525 -13.179123 1 453 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 91.8 -8.38515 -16.105389 -14.189565 1 454 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 90.23 -9.826204 -16.33757 -14.438816 1 455 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 95.7 -6.773696 -9.816853 -13.024807 1 456 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 95.31 -5.5862913 -9.117741 -13.489684 1 457 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 96.09 -4.427835 -9.411358 -12.558921 1 458 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 96.09 -4.6185427 -9.619722 -11.350285 1 459 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 94.53 -5.826255 -7.5989428 -13.53191 1 460 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 91.41 -6.9580493 -7.171952 -14.467742 1 461 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 88.28 -6.608324 -7.3742924 -15.936192 1 462 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 86.72 -7.671291 -6.9193344 -16.823463 1 463 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 84.77 -8.663778 -7.683627 -17.250431 1 464 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 82.42 -8.734913 -8.956024 -16.86612 1 465 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 83.2 -9.585508 -7.1952286 -18.04346 1 466 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 94.92 -3.209668 -9.466578 -13.103635 1 467 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 95.31 -2.0257688 -9.785007 -12.323935 1 468 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 94.92 -0.96567726 -8.695574 -12.422677 1 469 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 93.75 -0.86103326 -8.018146 -13.449427 1 470 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 95.7 -1.3991787 -11.100581 -12.816436 1 471 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 96.48 -2.2898128 -12.309807 -12.728257 1 472 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 95.31 -3.107798 -12.672014 -13.793232 1 473 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 95.31 -2.3082705 -13.104134 -11.587809 1 474 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 95.31 -3.9298282 -13.785492 -13.719353 1 475 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 94.92 -3.128251 -14.222052 -11.502171 1 476 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 96.09 -3.9304218 -14.554155 -12.571672 1 477 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 96.09 -4.7412157 -15.660611 -12.503185 1 478 +ATOM N N . SER A0 1 61 . 61 SER A0 N 95.31 -0.19386524 -8.57105 -11.361616 1 479 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 95.31 0.9952955 -7.734256 -11.410786 1 480 +ATOM C C . SER A0 1 61 . 61 SER A0 C 95.31 1.9633192 -8.360004 -12.408641 1 481 +ATOM O O . SER A0 1 61 . 61 SER A0 O 94.53 2.0607224 -9.586573 -12.479229 1 482 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 95.31 1.6465576 -7.6650496 -10.02892 1 483 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 94.14 2.99208 -7.2157707 -10.118091 1 484 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 94.53 2.681644 -7.5502033 -13.213511 1 485 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 93.75 3.6543155 -8.123945 -14.145085 1 486 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 94.14 4.669148 -9.018812 -13.444124 1 487 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 93.36 5.1490116 -9.994513 -14.03846 1 488 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 92.97 4.323022 -6.8856244 -14.756842 1 489 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 91.8 3.2791626 -5.8281736 -14.667231 1 490 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 93.36 2.5776296 -6.0862265 -13.361514 1 491 +ATOM N N . SER A0 1 63 . 63 SER A0 N 94.53 5.004757 -8.727125 -12.187218 1 492 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 94.14 5.9679375 -9.513721 -11.429356 1 493 +ATOM C C . SER A0 1 63 . 63 SER A0 C 94.53 5.4492803 -10.909755 -11.077141 1 494 +ATOM O O . SER A0 1 63 . 63 SER A0 O 92.97 6.2439747 -11.796329 -10.759664 1 495 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 92.97 6.3656654 -8.783293 -10.148808 1 496 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 89.06 6.986682 -7.5418673 -10.440678 1 497 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 95.31 4.1332083 -11.096714 -11.111971 1 498 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 94.92 3.5344734 -12.383139 -10.76182 1 499 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 94.53 2.8067899 -13.035076 -11.931694 1 500 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 92.97 2.2995386 -14.140796 -11.790878 1 501 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 95.31 2.5761256 -12.220968 -9.573856 1 502 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 95.7 3.2818441 -11.86656 -8.288631 1 503 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 94.53 3.4562688 -10.538704 -7.912176 1 504 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 93.75 3.794378 -12.85804 -7.464327 1 505 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 93.36 4.1286964 -10.204506 -6.7405205 1 506 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 93.36 4.46299 -12.529076 -6.2907743 1 507 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 94.14 4.6290684 -11.204029 -5.926061 1 508 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 94.53 2.7849011 -12.3707695 -13.093136 1 509 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 94.14 2.1131759 -12.888919 -14.280447 1 510 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 94.53 2.6765797 -14.261711 -14.646257 1 511 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 93.36 3.8873622 -14.42057 -14.813082 1 512 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 92.58 2.3028338 -11.926051 -15.446895 1 513 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 89.45 1.5188081 -12.303368 -16.70279 1 514 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 87.11 0.057209782 -11.924157 -16.614946 1 515 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 83.59 -0.27073762 -10.778687 -16.32177 1 516 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 82.03 -0.81618613 -12.884391 -16.861223 1 517 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 94.14 1.7922621 -15.249541 -14.762999 1 518 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 93.75 2.1990132 -16.59644 -15.125548 1 519 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 94.14 2.7866662 -17.41996 -14.000105 1 520 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 92.97 3.1055336 -18.59718 -14.211168 1 521 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 94.53 2.9422443 -16.824139 -12.811527 1 522 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 94.53 3.5402179 -17.52518 -11.682619 1 523 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 95.31 2.491837 -18.128252 -10.762625 1 524 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 94.53 2.7643619 -19.13205 -10.102518 1 525 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 93.75 4.445586 -16.579233 -10.879808 1 526 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 90.62 5.4820476 -15.852356 -11.7284775 1 527 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 88.28 6.3680534 -16.80745 -12.5099325 1 528 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 85.16 6.871707 -17.78571 -11.972561 1 529 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 83.59 6.542761 -16.53166 -13.814491 1 530 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 96.48 1.3193117 -17.517288 -10.697363 1 531 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 96.48 0.21545604 -17.99548 -9.874271 1 532 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 96.88 -1.0783417 -17.857523 -10.667999 1 533 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 96.09 -1.1234425 -17.178585 -11.695366 1 534 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 96.09 0.09058891 -17.198544 -8.551739 1 535 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 94.14 1.2974247 -17.439157 -7.646921 1 536 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 93.36 -0.092797145 -15.712097 -8.841564 1 537 +ATOM N N . THR A0 1 69 . 69 THR A0 N 96.88 -2.1377783 -18.517878 -10.193731 1 538 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 96.88 -3.4513273 -18.398693 -10.810831 1 539 +ATOM C C . THR A0 1 69 . 69 THR A0 C 97.27 -4.4578257 -18.011078 -9.734188 1 540 +ATOM O O . THR A0 1 69 . 69 THR A0 O 97.27 -4.506035 -18.628754 -8.666752 1 541 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 96.48 -3.8832493 -19.718575 -11.471467 1 542 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 93.36 -2.9449186 -20.073845 -12.491085 1 543 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 92.19 -5.270259 -19.588144 -12.089279 1 544 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 96.88 -5.2379446 -16.956734 -10.005585 1 545 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 96.88 -6.2859955 -16.51704 -9.098569 1 546 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 96.88 -7.6268897 -16.958359 -9.680826 1 547 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 96.88 -7.8536115 -16.847038 -10.887645 1 548 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 97.27 -6.259516 -14.977953 -8.915847 1 549 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 96.09 -4.908433 -14.544182 -8.328193 1 550 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 96.48 -7.409953 -14.523415 -8.012789 1 551 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 94.92 -4.6993623 -13.031219 -8.302296 1 552 +ATOM N N . SER A0 1 71 . 71 SER A0 N 96.88 -8.501996 -17.477545 -8.840027 1 553 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 97.27 -9.818554 -17.925182 -9.279348 1 554 +ATOM C C . SER A0 1 71 . 71 SER A0 C 97.27 -10.847519 -17.67596 -8.188336 1 555 +ATOM O O . SER A0 1 71 . 71 SER A0 O 96.88 -10.491842 -17.340904 -7.0573654 1 556 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 96.48 -9.801191 -19.414013 -9.659763 1 557 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 94.92 -9.413929 -20.219479 -8.56398 1 558 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 96.88 -12.1229725 -17.8117 -8.542423 1 559 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 96.88 -13.189558 -17.587477 -7.5792236 1 560 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 96.88 -14.331173 -18.570251 -7.7759914 1 561 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 96.09 -14.586472 -19.03273 -8.88409 1 562 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 96.09 -13.721707 -16.155376 -7.6899757 1 563 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 96.48 -14.998628 -18.904373 -6.689168 1 564 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 96.09 -16.205246 -19.727768 -6.7100267 1 565 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 96.48 -17.259272 -18.921177 -5.9585905 1 566 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 95.7 -17.311256 -18.950449 -4.7280664 1 567 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 96.09 -15.96413 -21.087254 -6.025156 1 568 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 94.14 -17.165146 -22.018597 -6.141803 1 569 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 92.97 -18.268574 -21.541767 -6.4771767 1 570 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 91.02 -16.994698 -23.233768 -5.8941193 1 571 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 96.09 -18.07646 -18.179977 -6.7273855 1 572 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 95.7 -19.047915 -17.30598 -6.0763407 1 573 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 96.09 -20.163334 -18.064892 -5.36535 1 574 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 95.31 -20.842615 -17.491732 -4.507951 1 575 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 93.75 -19.638554 -16.303253 -7.0787234 1 576 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 91.41 -20.342297 -16.922344 -8.272787 1 577 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 90.62 -20.801388 -15.8190365 -9.233518 1 578 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 87.11 -21.42968 -16.409634 -10.478691 1 579 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 84.77 -21.824429 -15.342934 -11.435379 1 580 +ATOM N N . SER A0 1 75 . 75 SER A0 N 95.7 -20.340965 -19.37554 -5.6800346 1 581 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 95.31 -21.37595 -20.165968 -5.0137935 1 582 +ATOM C C . SER A0 1 75 . 75 SER A0 C 95.7 -21.052578 -20.394022 -3.5350697 1 583 +ATOM O O . SER A0 1 75 . 75 SER A0 O 95.31 -21.966225 -20.599798 -2.7284627 1 584 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 94.53 -21.567291 -21.513672 -5.721302 1 585 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 91.8 -20.472645 -22.381908 -5.5072794 1 586 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 96.09 -19.746746 -20.36073 -3.1839209 1 587 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 96.09 -19.345173 -20.515188 -1.7916281 1 588 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 96.09 -18.56709 -19.29981 -1.2887293 1 589 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 95.7 -17.875973 -19.369446 -0.26750118 1 590 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 95.7 -18.514515 -21.80442 -1.5674472 1 591 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 94.53 -17.291576 -21.824345 -2.469101 1 592 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 93.36 -19.383568 -23.032925 -1.7940099 1 593 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 92.19 -16.292694 -22.932661 -2.1424394 1 594 +ATOM N N . SER A0 1 77 . 77 SER A0 N 96.09 -18.6816 -18.184021 -1.9975712 1 595 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 96.48 -18.0624 -16.917067 -1.6108937 1 596 +ATOM C C . SER A0 1 77 . 77 SER A0 C 96.88 -16.582367 -17.075016 -1.2890573 1 597 +ATOM O O . SER A0 1 77 . 77 SER A0 O 96.48 -16.093433 -16.547318 -0.28301966 1 598 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 96.09 -18.804344 -16.30311 -0.4175967 1 599 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 93.75 -20.170868 -16.086182 -0.7074392 1 600 +ATOM N N . THR A0 1 78 . 78 THR A0 N 96.88 -15.85671 -17.786854 -2.1620507 1 601 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 96.88 -14.452598 -18.072979 -1.9136426 1 602 +ATOM C C . THR A0 1 78 . 78 THR A0 C 96.88 -13.573584 -17.718756 -3.1163025 1 603 +ATOM O O . THR A0 1 78 . 78 THR A0 O 96.48 -13.919889 -18.024284 -4.26247 1 604 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 96.88 -14.2544155 -19.549389 -1.5423157 1 605 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 94.92 -15.027846 -19.84377 -0.36943853 1 606 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 95.31 -12.7922 -19.865738 -1.2595432 1 607 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 97.66 -12.433935 -17.087175 -2.8298435 1 608 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 97.66 -11.424914 -16.770405 -3.8319798 1 609 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 98.05 -10.190566 -17.609177 -3.5233297 1 610 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 97.66 -9.896428 -17.880653 -2.3560596 1 611 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 96.48 -11.089104 -15.260813 -3.817071 1 612 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 93.36 -12.284185 -14.456577 -4.3224325 1 613 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 92.19 -9.871464 -14.968306 -4.679848 1 614 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 96.88 -9.454925 -18.03374 -4.5772824 1 615 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 96.88 -8.288521 -18.889671 -4.426688 1 616 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 96.88 -7.0353565 -18.291176 -5.054177 1 617 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 96.48 -7.1105776 -17.527355 -6.020424 1 618 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 96.88 -8.533184 -20.259693 -5.0726676 1 619 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 96.88 -9.744926 -20.986809 -4.5543394 1 620 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 95.7 -10.951925 -20.943344 -5.2419987 1 621 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 94.92 -9.679577 -21.729656 -3.3808048 1 622 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 94.53 -12.065643 -21.614584 -4.764824 1 623 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 94.53 -10.792409 -22.404755 -2.8958511 1 624 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 95.7 -11.981071 -22.346725 -3.5959167 1 625 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 94.92 -13.081045 -23.0077 -3.1284213 1 626 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 97.27 -5.900732 -18.68396 -4.4888153 1 627 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 97.66 -4.5862427 -18.380098 -5.042242 1 628 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 97.27 -3.8845181 -19.724583 -5.1701846 1 629 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 97.27 -3.8087893 -20.467712 -4.185254 1 630 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 97.27 -3.7901425 -17.456276 -4.11615 1 631 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 96.48 -2.3658714 -17.100306 -4.566965 1 632 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 95.31 -1.6356006 -16.365753 -3.4421494 1 633 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 95.31 -2.385457 -16.256721 -5.834572 1 634 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 97.66 -3.401247 -20.054901 -6.3767867 1 635 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 97.27 -2.8025303 -21.374004 -6.553768 1 636 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 97.27 -1.4994447 -21.34639 -7.340143 1 637 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 96.88 -1.258942 -20.45334 -8.15185 1 638 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 96.48 -3.7907786 -22.342323 -7.2227526 1 639 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 92.58 -4.177162 -21.985195 -8.647945 1 640 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 90.62 -5.2367063 -22.924503 -9.177752 1 641 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 87.5 -4.954891 -24.049894 -9.577586 1 642 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 85.55 -6.4902735 -22.476837 -9.145121 1 643 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 96.88 -0.66885084 -22.352425 -7.050833 1 644 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 96.88 0.59629554 -22.588816 -7.728571 1 645 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 96.88 0.54946494 -24.007652 -8.296713 1 646 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 96.09 0.04797016 -24.932285 -7.642831 1 647 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 96.09 1.7824154 -22.520367 -6.759364 1 648 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 95.31 2.0535867 -21.205872 -6.098428 1 649 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 93.36 2.9951196 -20.296362 -6.4653177 1 650 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 94.92 1.407209 -20.662544 -4.9458637 1 651 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 92.19 2.968484 -19.23339 -5.6000767 1 652 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 94.14 1.9953635 -19.4174 -4.6726856 1 653 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 92.97 0.35725272 -21.116938 -4.1261306 1 654 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 94.14 1.59518 -18.625572 -3.602654 1 655 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 93.36 -0.0358139 -20.318161 -3.061622 1 656 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 93.36 0.57970035 -19.0867 -2.8226914 1 657 +ATOM N N . SER A0 1 84 . 84 SER A0 N 96.48 1.0909985 -24.18674 -9.497004 1 658 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 95.7 1.1861248 -25.540735 -10.058136 1 659 +ATOM C C . SER A0 1 84 . 84 SER A0 C 96.09 2.49865 -26.198032 -9.642553 1 660 +ATOM O O . SER A0 1 84 . 84 SER A0 O 94.92 2.5870392 -27.426723 -9.607037 1 661 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 94.92 1.1010993 -25.490028 -11.586328 1 662 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 91.41 2.159448 -24.727654 -12.125349 1 663 +ATOM N N . SER A0 1 85 . 85 SER A0 N 96.09 3.4981868 -25.378098 -9.330469 1 664 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 95.7 4.8090625 -25.881794 -8.909798 1 665 +ATOM C C . SER A0 1 85 . 85 SER A0 C 96.48 5.456358 -24.857714 -7.9808135 1 666 +ATOM O O . SER A0 1 85 . 85 SER A0 O 95.7 5.9496336 -23.82415 -8.430256 1 667 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 95.7 5.703764 -26.146133 -10.123075 1 668 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 92.58 6.969858 -26.668114 -9.729003 1 669 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 96.09 5.4558277 -25.163822 -6.687851 1 670 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 96.09 5.9955664 -24.249296 -5.687434 1 671 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 95.7 7.520771 -24.183424 -5.7249613 1 672 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 94.92 8.190336 -25.17822 -6.032823 1 673 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 96.48 5.5452156 -24.67259 -4.2884936 1 674 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 95.7 4.07503 -24.428955 -3.9377418 1 675 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 94.53 3.6765895 -25.301426 -2.749572 1 676 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 93.75 3.8653846 -22.952335 -3.6085749 1 677 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 95.7 8.048788 -22.98867 -5.405325 1 678 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 94.92 9.481791 -22.779316 -5.278721 1 679 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 95.7 9.76839 -22.35363 -3.8500023 1 680 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 94.53 8.887328 -21.839294 -3.1565428 1 681 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 94.53 9.967602 -21.681198 -6.236469 1 682 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 92.19 9.524608 -21.858435 -7.6725183 1 683 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 88.28 10.030425 -20.71965 -8.538414 1 684 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 84.38 9.038779 -20.322533 -9.596147 1 685 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 79.3 8.663256 -21.449097 -10.4901905 1 686 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 93.36 11.016031 -22.549997 -3.4126058 1 687 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 92.97 11.399862 -22.150291 -2.0595336 1 688 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 93.75 11.174566 -20.65479 -1.8522507 1 689 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 93.36 10.836978 -20.217155 -0.7504211 1 690 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 91.41 12.861092 -22.513063 -1.7967186 1 691 +ATOM N N . SER A0 1 89 . 89 SER A0 N 94.14 11.338732 -19.862839 -2.9296403 1 692 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 93.36 11.164838 -18.417324 -2.853442 1 693 +ATOM C C . SER A0 1 89 . 89 SER A0 C 94.14 9.702015 -17.99968 -2.6867685 1 694 +ATOM O O . SER A0 1 89 . 89 SER A0 O 93.75 9.426891 -16.810589 -2.517136 1 695 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 92.58 11.766344 -17.740976 -4.0949817 1 696 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 89.45 11.150475 -18.199587 -5.277828 1 697 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 95.31 8.769826 -18.954657 -2.737701 1 698 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 96.09 7.36059 -18.65659 -2.50341 1 699 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 95.7 7.0275955 -18.59384 -1.0160913 1 700 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 95.31 5.8880835 -18.296438 -0.6487694 1 701 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 95.7 6.460408 -19.701488 -3.182445 1 702 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 96.48 6.4835243 -19.585112 -4.6975565 1 703 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 94.92 6.4973764 -20.64454 -5.3677087 1 704 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 94.53 6.475581 -18.442493 -5.208901 1 705 +ATOM N N . THR A0 1 91 . 91 THR A0 N 94.14 8.002496 -18.888918 -0.15806718 1 706 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 94.14 7.7997165 -18.81678 1.2828755 1 707 +ATOM C C . THR A0 1 91 . 91 THR A0 C 94.53 7.460508 -17.376991 1.669057 1 708 +ATOM O O . THR A0 1 91 . 91 THR A0 O 94.53 8.260078 -16.465439 1.4486693 1 709 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 92.97 9.054232 -19.284866 2.0430706 1 710 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 91.8 9.294622 -20.668215 1.7584454 1 711 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 91.41 8.892576 -19.096497 3.5468018 1 712 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 94.92 6.264317 -17.17492 2.2078905 1 713 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 94.92 5.804636 -15.834457 2.5469728 1 714 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 94.92 4.4397545 -15.903358 3.2182071 1 715 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 94.53 3.8026757 -16.956434 3.2556682 1 716 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 95.31 5.711644 -14.961689 1.2867368 1 717 +ATOM N N . MET A0 1 93 . 93 MET A0 N 96.48 4.0030375 -14.749922 3.7464738 1 718 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 96.09 2.6361692 -14.598322 4.229165 1 719 +ATOM C C . MET A0 1 93 . 93 MET A0 C 96.48 1.8171108 -14.054253 3.0661628 1 720 +ATOM O O . MET A0 1 93 . 93 MET A0 O 96.88 2.260109 -13.146627 2.3495126 1 721 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 96.09 2.5834675 -13.619104 5.406373 1 722 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 93.75 1.1913918 -13.439987 5.9998837 1 723 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 92.19 0.6610938 -14.8647785 6.964019 1 724 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 89.45 1.6456574 -14.6205635 8.450406 1 725 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 97.66 0.63948977 -14.631976 2.8391857 1 726 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 97.66 -0.24649219 -14.198425 1.7648025 1 727 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 97.66 -1.5570376 -13.680181 2.3516202 1 728 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 97.27 -2.1905851 -14.3600235 3.164928 1 729 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 97.66 -0.5094192 -15.348378 0.7814896 1 730 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 97.27 0.738027 -15.769528 0.041872695 1 731 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 95.7 1.6051497 -16.718853 0.5766816 1 732 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 94.53 1.0781765 -15.180647 -1.1696647 1 733 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 95.31 2.7766874 -17.07201 -0.07995659 1 734 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 94.92 2.2447598 -15.52927 -1.8364964 1 735 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 96.48 3.0890148 -16.474485 -1.2823718 1 736 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 96.48 4.251382 -16.817623 -1.9300997 1 737 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 97.66 -1.9434712 -12.468607 1.940109 1 738 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 97.66 -3.1765018 -11.85087 2.4126863 1 739 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 98.05 -4.1674995 -11.665501 1.2700989 1 740 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 97.66 -3.7739687 -11.318199 0.15129398 1 741 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 97.66 -2.9004009 -10.451027 2.987688 1 742 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 97.27 -2.064742 -10.4166565 4.2410383 1 743 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 94.92 -0.713279 -10.069587 4.190493 1 744 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 94.53 -2.623908 -10.692371 5.48098 1 745 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 94.92 0.052568167 -10.017047 5.341112 1 746 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 94.53 -1.8624381 -10.639073 6.6367817 1 747 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 96.09 -0.5297114 -10.299421 6.556363 1 748 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 95.7 0.22578064 -10.241331 7.6926355 1 749 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 98.05 -5.4494295 -11.893504 1.5440822 1 750 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 98.05 -6.5012407 -11.48558 0.6164687 1 751 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 98.05 -7.1287613 -10.230812 1.2071025 1 752 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 97.66 -7.075425 -10.010891 2.424089 1 753 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 96.09 -7.557423 -12.586218 0.41840628 1 754 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 96.09 -8.481642 -13.065676 1.890688 1 755 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 97.27 -7.677085 -9.369411 0.33877975 1 756 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 97.66 -8.259931 -8.121143 0.8109487 1 757 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 97.66 -9.344017 -7.651317 -0.15555188 1 758 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 97.27 -9.211109 -7.812428 -1.3714467 1 759 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 97.27 -7.185467 -7.040866 0.96339786 1 760 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 96.48 -10.434686 -7.0654783 0.39214763 1 761 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 96.09 -11.525884 -6.561201 -0.43257165 1 762 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 96.48 -11.159004 -5.1992683 -1.0110652 1 763 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 96.09 -10.725956 -4.3018827 -0.2799992 1 764 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 95.7 -12.8221855 -6.443039 0.38848656 1 765 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 94.53 -14.040953 -6.1272745 -0.4701185 1 766 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 93.36 -15.296978 -6.01598 0.36456656 1 767 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 92.19 -15.382009 -4.730755 1.0503011 1 768 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 91.41 -16.486588 -4.273605 1.6267803 1 769 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 89.45 -17.603264 -4.98378 1.5940337 1 770 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 89.84 -16.463337 -3.1040528 2.23925 1 771 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 95.7 -11.322802 -5.0765266 -2.3342454 1 772 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 95.7 -10.955036 -3.8589158 -3.0447726 1 773 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 95.7 -12.184933 -3.014467 -3.3800383 1 774 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 94.92 -13.085456 -3.4783344 -4.087612 1 775 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 95.31 -10.206377 -4.209536 -4.3306074 1 776 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 94.53 -9.608614 -3.0322313 -5.040897 1 777 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 91.41 -9.876719 -2.7502937 -6.368529 1 778 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 91.41 -8.738604 -2.092227 -4.630434 1 779 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 90.62 -9.195753 -1.6707745 -6.730709 1 780 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 91.02 -8.495404 -1.2482893 -5.686406 1 781 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 93.75 -12.222613 -1.7943151 -2.857782 1 782 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 93.36 -13.285834 -0.84197605 -3.1451225 1 783 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 92.97 -12.841969 0.015077816 -4.3324404 1 784 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 91.8 -11.744331 0.57835543 -4.310405 1 785 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 92.97 -13.575673 0.0744869 -1.9374113 1 786 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 92.19 -14.070993 -0.74755955 -0.7456206 1 787 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 90.62 -14.579306 1.1679156 -2.3124156 1 788 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 89.45 -15.444673 -1.347125 -0.9259444 1 789 +ATOM N N . THR A0 1 101 . 101 THR A0 N 91.8 -13.684187 0.090894334 -5.3765426 1 790 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 91.41 -13.388446 0.95024335 -6.5169926 1 791 +ATOM C C . THR A0 1 101 . 101 THR A0 C 91.41 -14.399696 2.096528 -6.5448093 1 792 +ATOM O O . THR A0 1 101 . 101 THR A0 O 90.23 -15.610064 1.8668528 -6.607131 1 793 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 90.23 -13.46396 0.18347013 -7.8479667 1 794 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 87.89 -14.734386 -0.45900816 -7.9751463 1 795 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 87.11 -12.358288 -0.8547782 -7.941476 1 796 +ATOM N N . THR A0 1 102 . 102 THR A0 N 90.62 -13.896471 3.3332167 -6.475655 1 797 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 90.23 -14.769485 4.5014014 -6.5349255 1 798 +ATOM C C . THR A0 1 102 . 102 THR A0 C 89.84 -14.932124 4.9919453 -7.970892 1 799 +ATOM O O . THR A0 1 102 . 102 THR A0 O 88.67 -15.924227 5.645356 -8.294467 1 800 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 89.06 -14.24226 5.6428146 -5.643291 1 801 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 87.11 -12.898484 5.9587564 -6.001465 1 802 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 85.55 -14.280956 5.2223063 -4.1723366 1 803 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 88.67 -13.9629135 4.683301 -8.843469 1 804 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 88.28 -14.047017 4.861946 -10.281837 1 805 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 88.28 -12.891616 4.111378 -10.919851 1 806 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 87.5 -12.095954 3.4842536 -10.209072 1 807 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 87.5 -14.061026 6.343484 -10.697744 1 808 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 87.11 -12.878293 7.146488 -10.249056 1 809 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 83.98 -11.638586 7.0345635 -10.855016 1 810 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 83.59 -12.751515 8.095257 -9.301512 1 811 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 82.81 -10.7939625 7.881692 -10.269074 1 812 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 82.81 -11.455107 8.52796 -9.319928 1 813 +ATOM N N . THR A0 1 104 . 104 THR A0 N 87.89 -12.771795 4.1485395 -12.256657 1 814 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 87.89 -11.801477 3.343608 -12.984877 1 815 +ATOM C C . THR A0 1 104 . 104 THR A0 C 87.89 -10.369837 3.4824305 -12.473579 1 816 +ATOM O O . THR A0 1 104 . 104 THR A0 O 86.72 -9.6163845 2.5059714 -12.469832 1 817 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 86.72 -11.846924 3.6999035 -14.486723 1 818 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 85.16 -13.200851 3.5737987 -14.955636 1 819 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 84.38 -10.949425 2.7653499 -15.302378 1 820 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 89.06 -9.973038 4.666581 -12.0312 1 821 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 88.67 -8.602771 4.930197 -11.621221 1 822 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 89.45 -8.443122 5.225174 -10.134882 1 823 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 88.67 -7.4948425 5.896372 -9.733015 1 824 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 87.11 -8.028679 6.0941257 -12.433025 1 825 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 84.77 -8.054026 5.8536835 -13.925015 1 826 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 82.42 -9.067108 6.3782244 -14.7288 1 827 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 81.25 -7.068382 5.083605 -14.536818 1 828 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 79.3 -9.093019 6.1403327 -16.093887 1 829 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 78.52 -7.092288 4.8462253 -15.902967 1 830 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 78.52 -8.099678 5.3750825 -16.6784 1 831 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 77.73 -8.127053 5.1399055 -18.023087 1 832 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 90.62 -9.352276 4.691687 -9.3068075 1 833 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 90.62 -9.331274 5.0276017 -7.8949704 1 834 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 91.02 -9.852674 3.8578305 -7.0754857 1 835 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 89.84 -10.965159 3.3843246 -7.311419 1 836 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 89.06 -10.19831 6.2768598 -7.679819 1 837 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 86.72 -10.15479 6.906205 -6.330166 1 838 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 84.38 -10.853937 8.247096 -6.431142 1 839 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 82.03 -11.178106 8.8067 -5.1300225 1 840 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 80.47 -11.681507 10.017281 -4.9555187 1 841 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 77.34 -11.908318 10.793996 -6.010416 1 842 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 77.73 -11.953105 10.444133 -3.7531905 1 843 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 93.75 -9.048862 3.3896828 -6.1209126 1 844 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 93.75 -9.46722 2.2696502 -5.296678 1 845 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 94.53 -8.53156 2.0186646 -4.126245 1 846 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 93.36 -7.430298 2.5682094 -4.057554 1 847 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 95.31 -8.9869795 1.1614729 -3.1878572 1 848 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 95.7 -8.232604 0.8480358 -1.9853885 1 849 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 95.7 -8.761449 -0.44531697 -1.3811951 1 850 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 95.7 -9.843573 -0.9145081 -1.7439213 1 851 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 95.31 -8.33505 1.9888929 -0.9623314 1 852 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 94.53 -9.765171 2.3962588 -0.67513907 1 853 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 93.36 -10.3753605 3.3905215 -1.4252801 1 854 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 92.97 -10.487373 1.773061 0.3244802 1 855 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 91.8 -11.696846 3.760551 -1.1727272 1 856 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 91.8 -11.799975 2.1365771 0.5775143 1 857 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 92.19 -12.403721 3.1285806 -0.1706971 1 858 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 96.48 -8.002792 -1.0399327 -0.43482885 1 859 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 96.48 -8.408112 -2.259478 0.25613365 1 860 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 96.48 -8.938406 -1.8860426 1.6417463 1 861 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 96.09 -8.191563 -1.3581483 2.4696543 1 862 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 96.88 -7.221225 -3.2123494 0.41569185 1 863 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 96.88 -6.6778784 -3.7502713 -0.88125503 1 864 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 95.31 -5.3863497 -3.4440937 -1.2967583 1 865 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 94.92 -7.449481 -4.58013 -1.6797675 1 866 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 94.14 -4.881115 -3.956664 -2.4821815 1 867 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 94.53 -6.953682 -5.0959253 -2.8708744 1 868 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 95.31 -5.664172 -4.781539 -3.269351 1 869 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 96.09 -10.231285 -2.1479666 1.9095962 1 870 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 95.7 -10.793642 -1.7517931 3.196231 1 871 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 96.09 -10.84399 -2.864286 4.2378693 1 872 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 96.09 -10.831624 -2.5718663 5.4353695 1 873 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 94.53 -12.17214 -1.0962006 3.0394516 1 874 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 92.97 -13.2567625 -2.008223 2.4710314 1 875 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 91.02 -12.930495 -3.0956373 1.954748 1 876 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 89.84 -14.446689 -1.6279056 2.557534 1 877 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 96.48 -10.898433 -4.1312914 3.8262668 1 878 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 96.48 -10.898073 -5.2490616 4.7643213 1 879 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 96.88 -9.888245 -6.2893715 4.301833 1 880 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 96.88 -9.798031 -6.5822086 3.1083145 1 881 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 95.31 -12.29213 -5.879703 4.884414 1 882 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 93.36 -13.268969 -5.0365386 5.65926 1 883 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 91.41 -14.110741 -4.1474314 5.006919 1 884 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 90.62 -13.329201 -5.1196203 7.0401497 1 885 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 88.67 -14.998258 -3.354889 5.722873 1 886 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 88.28 -14.215569 -4.33127 7.760087 1 887 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 88.67 -15.05408 -3.4483452 7.095786 1 888 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 97.27 -9.139755 -6.847478 5.252471 1 889 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 97.66 -8.092318 -7.8185544 4.9723325 1 890 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 97.66 -8.343475 -9.120328 5.7156315 1 891 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 96.88 -8.881451 -9.12731 6.8232245 1 892 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 97.66 -6.7224007 -7.2746816 5.406651 1 893 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 97.66 -6.240426 -6.0832386 4.6533794 1 894 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 96.88 -6.785678 -4.8275986 4.660224 1 895 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 97.66 -5.0955443 -6.0205026 3.803155 1 896 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 96.88 -6.044982 -3.9921966 3.860004 1 897 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 97.27 -5.008508 -4.7014437 3.3168468 1 898 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 97.27 -4.135172 -6.962657 3.3970613 1 899 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 97.27 -3.9878607 -4.2849503 2.4553523 1 900 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 96.88 -3.1263785 -6.5584373 2.5371118 1 901 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 96.88 -3.065938 -5.237253 2.0698183 1 902 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 96.88 -7.915459 -10.240269 5.097805 1 903 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 97.27 -7.9448204 -11.523649 5.7809353 1 904 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 97.27 -6.8157578 -11.572965 6.792225 1 905 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 96.88 -5.9486685 -10.693098 6.8245792 1 906 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 96.48 -6.7886677 -12.620362 7.626053 1 907 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 96.48 -5.78419 -12.726978 8.678573 1 908 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 96.48 -4.4265003 -13.174849 8.159593 1 909 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 95.7 -3.4325166 -13.103445 8.888248 1 910 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 95.7 -6.2629395 -13.690892 9.781885 1 911 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 94.92 -6.0561223 -15.184891 9.487787 1 912 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 94.92 -7.126654 -15.816472 8.62741 1 913 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 92.97 -7.8994236 -15.114443 7.930807 1 914 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 91.8 -7.194028 -17.153336 8.650705 1 915 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 96.09 -4.359432 -13.630178 6.916208 1 916 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 95.7 -3.108646 -14.084291 6.322715 1 917 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 96.09 -2.939639 -15.592022 6.367117 1 918 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 95.7 -3.4603639 -16.26218 7.2614217 1 919 +ATOM N N . THR A0 1 116 . 116 THR A0 N 95.7 -2.225646 -16.128174 5.36542 1 920 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 96.09 -1.8993559 -17.546616 5.3108444 1 921 +ATOM C C . THR A0 1 116 . 116 THR A0 C 95.7 -0.38861468 -17.661995 5.1102066 1 922 +ATOM O O . THR A0 1 116 . 116 THR A0 O 95.7 0.15120015 -17.143532 4.130853 1 923 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 96.09 -2.6190197 -18.26031 4.146281 1 924 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 94.92 -4.0330276 -18.203465 4.3384514 1 925 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 94.92 -2.1783252 -19.71825 4.0455275 1 926 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 94.14 0.29327065 -18.331001 6.0508194 1 927 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 93.75 1.7343869 -18.520128 5.9527845 1 928 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 94.14 2.02112 -19.763542 5.114582 1 929 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 94.14 1.5342126 -20.854109 5.420886 1 930 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 92.19 2.3625402 -18.669296 7.338948 1 931 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 89.45 3.8770807 -18.864697 7.3697524 1 932 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 87.5 4.3528237 -19.16558 8.779397 1 933 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 86.33 4.5989313 -17.651825 6.7882757 1 934 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 94.14 2.804458 -19.584864 4.0489707 1 935 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 94.53 3.1929517 -20.691738 3.1816883 1 936 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 93.75 4.698593 -20.893978 3.3174791 1 937 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 93.36 5.4719796 -19.9562 3.102947 1 938 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 95.31 2.8269553 -20.417763 1.7045652 1 939 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 94.92 3.3609748 -21.530457 0.8027171 1 940 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 94.14 1.3107983 -20.2766 1.5540204 1 941 +ATOM N N . THR A0 1 119 . 119 THR A0 N 93.36 5.113158 -22.109158 3.699081 1 942 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 92.97 6.519684 -22.449978 3.834292 1 943 +ATOM C C . THR A0 1 119 . 119 THR A0 C 93.36 6.849062 -23.528793 2.804458 1 944 +ATOM O O . THR A0 1 119 . 119 THR A0 O 92.97 6.188736 -24.57093 2.7667212 1 945 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 92.19 6.8393145 -22.96194 5.2507944 1 946 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 90.62 6.50108 -21.948235 6.209495 1 947 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 89.84 8.318163 -23.309412 5.3847094 1 948 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 94.53 7.840386 -23.258442 1.9540434 1 949 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 94.53 8.237175 -24.207947 0.91885257 1 950 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 93.75 9.687836 -24.6151 1.1532445 1 951 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 92.97 10.583665 -23.773582 1.122361 1 952 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 94.92 8.077091 -23.613716 -0.49681604 1 953 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 93.75 8.363829 -24.675938 -1.5507166 1 954 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 93.36 6.6752195 -23.03297 -0.68259335 1 955 +ATOM N N . SER A0 1 121 . 121 SER A0 N 94.53 9.911636 -25.897987 1.3895128 1 956 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 94.14 11.25153 -26.401417 1.6598998 1 957 +ATOM C C . SER A0 1 121 . 121 SER A0 C 94.14 11.304393 -27.901886 1.3992636 1 958 +ATOM O O . SER A0 1 121 . 121 SER A0 O 93.36 10.295578 -28.597363 1.5562478 1 959 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 93.36 11.651541 -26.109795 3.1047568 1 960 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 92.19 12.887834 -26.721762 3.4310603 1 961 +ATOM N N . SER A0 1 122 . 122 SER A0 N 94.14 12.502993 -28.38786 1.0094543 1 962 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 92.97 12.69438 -29.824287 0.80699015 1 963 +ATOM C C . SER A0 1 122 . 122 SER A0 C 93.36 12.9961815 -30.540737 2.1192956 1 964 +ATOM O O . SER A0 1 122 . 122 SER A0 O 92.19 13.075672 -31.77259 2.150402 1 965 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 92.19 13.837257 -30.07629 -0.18402933 1 966 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 89.45 15.0594845 -29.52918 0.2884044 1 967 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 93.36 13.1533165 -29.766779 3.2077613 1 968 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 93.36 13.468262 -30.341648 4.5057983 1 969 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 93.36 12.298683 -31.14064 5.0626082 1 970 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 92.58 11.144711 -30.84842 4.781204 1 971 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 92.97 13.861486 -29.243584 5.493142 1 972 +ATOM N N . SER A0 1 124 . 124 SER A0 N 92.97 12.644772 -32.161774 5.858573 1 973 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 92.58 11.638636 -32.976753 6.533165 1 974 +ATOM C C . SER A0 1 124 . 124 SER A0 C 92.97 11.515394 -32.51493 7.9769335 1 975 +ATOM O O . SER A0 1 124 . 124 SER A0 O 92.58 12.441353 -31.914112 8.532857 1 976 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 91.41 12.025158 -34.45557 6.4973345 1 977 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 87.89 12.119318 -34.94121 5.1713157 1 978 +ATOM N N . THR A0 1 125 . 125 THR A0 N 93.75 10.368689 -32.794495 8.575485 1 979 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 93.36 10.144249 -32.411095 9.968405 1 980 +ATOM C C . THR A0 1 125 . 125 THR A0 C 93.75 11.238281 -32.99689 10.857595 1 981 +ATOM O O . THR A0 1 125 . 125 THR A0 O 92.97 11.528257 -34.191597 10.791481 1 982 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 92.58 8.767488 -32.886814 10.45311 1 983 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 91.02 7.74618 -32.28646 9.646822 1 984 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 90.23 8.533645 -32.520233 11.9153805 1 985 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 95.7 11.848607 -32.136627 11.661219 1 986 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 95.7 12.941736 -32.556946 12.526918 1 987 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 95.7 12.920858 -31.751581 13.819254 1 988 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 95.31 12.794504 -30.521698 13.79212 1 989 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 95.31 14.291666 -32.365482 11.818754 1 990 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 94.53 15.496551 -32.791092 12.648651 1 991 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 92.58 16.801228 -32.547848 11.893167 1 992 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 90.23 18.019798 -33.036034 12.667332 1 993 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 87.5 18.148357 -32.34993 13.980822 1 994 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 96.48 13.054214 -32.43366 14.931057 1 995 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 96.48 13.122937 -31.770329 16.224503 1 996 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 96.09 14.4927845 -31.161785 16.452837 1 997 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 96.09 15.4837885 -31.608078 15.872581 1 998 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 96.88 14.572484 -30.13176 17.313145 1 999 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 96.48 15.849923 -29.44757 17.518368 1 1000 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 96.88 16.7832 -30.153828 18.487831 1 1001 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 96.09 16.341423 -30.939774 19.33243 1 1002 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 96.88 15.426186 -28.093412 18.10756 1 1003 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 95.7 14.2092495 -28.440102 18.903446 1 1004 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 95.7 13.476868 -29.47787 18.06586 1 1005 +ATOM N N . SER A0 1 129 . 129 SER A0 N 97.27 18.07701 -29.854706 18.33792 1 1006 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 96.88 19.070126 -30.215076 19.338766 1 1007 +ATOM C C . SER A0 1 129 . 129 SER A0 C 96.88 19.199167 -28.966919 20.200142 1 1008 +ATOM O O . SER A0 1 129 . 129 SER A0 O 96.88 19.205326 -27.844307 19.667908 1 1009 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 96.09 20.416397 -30.552696 18.697254 1 1010 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 92.97 20.317436 -31.687645 17.852953 1 1011 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 96.88 19.271534 -29.1248 21.506973 1 1012 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 96.88 19.353449 -27.98438 22.411358 1 1013 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 96.88 20.691244 -28.01781 23.143192 1 1014 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 96.09 20.98487 -28.971457 23.869183 1 1015 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 96.88 18.185253 -27.974356 23.419777 1 1016 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 94.53 18.270258 -26.754074 24.330904 1 1017 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 94.14 16.851595 -27.989578 22.673643 1 1018 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 97.27 21.508194 -26.97761 22.922417 1 1019 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 97.27 22.831604 -26.899317 23.522373 1 1020 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 96.88 22.917343 -25.71952 24.482359 1 1021 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 96.48 22.304003 -24.672958 24.23047 1 1022 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 96.88 23.910534 -26.755777 22.441397 1 1023 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 96.09 23.898365 -27.864876 21.42778 1 1024 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 92.97 23.566269 -27.609982 20.110058 1 1025 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 92.19 24.227238 -29.150423 21.806164 1 1026 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 91.8 23.552933 -28.631763 19.177044 1 1027 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 92.19 24.21492 -30.181057 20.883615 1 1028 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 94.92 23.87758 -29.920195 19.57057 1 1029 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 96.88 23.674568 -25.865505 25.564655 1 1030 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 96.48 23.78025 -24.76339 26.522446 1 1031 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 96.48 24.727194 -23.669014 26.05796 1 1032 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 96.48 25.727013 -23.940033 25.388401 1 1033 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 96.09 24.317083 -25.449593 27.788141 1 1034 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 94.92 25.165218 -26.555676 27.251312 1 1035 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 95.7 24.4137 -27.058533 26.033983 1 1036 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 96.48 24.38507 -22.442635 26.376839 1 1037 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 96.09 25.267189 -21.291409 26.243862 1 1038 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 95.31 25.635351 -20.977604 27.68711 1 1039 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 94.53 24.940983 -20.237204 28.387867 1 1040 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 96.48 24.54691 -20.112597 25.573511 1 1041 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 96.09 24.096664 -20.353655 24.140306 1 1042 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 92.97 23.184622 -19.233673 23.66158 1 1043 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 91.8 25.296759 -20.495163 23.213863 1 1044 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 94.53 26.71883 -21.61229 28.150429 1 1045 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 93.36 27.094772 -21.590347 29.560505 1 1046 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 93.75 27.684351 -20.256351 30.013184 1 1047 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 92.58 28.483025 -19.65047 29.30096 1 1048 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 92.58 28.080427 -22.713718 29.855 1 1049 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 91.8 27.294037 -19.804012 31.213448 1 1050 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 91.02 27.870743 -18.575127 31.753391 1 1051 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 89.45 29.33275 -18.794136 32.136307 1 1052 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 87.11 29.716904 -19.874226 32.58648 1 1053 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 90.23 27.004702 -18.290407 32.990395 1 1054 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 89.06 26.521084 -19.637629 33.410915 1 1055 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 89.06 26.310007 -20.401562 32.131115 1 1056 +ATOM N N . SER A0 1 136 . 136 SER A0 N 84.77 30.15013 -17.775333 31.923779 1 1057 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 84.38 31.56884 -17.845072 32.248135 1 1058 +ATOM C C . SER A0 1 136 . 136 SER A0 C 84.77 32.100945 -16.431795 32.40679 1 1059 +ATOM O O . SER A0 1 136 . 136 SER A0 O 82.42 31.340454 -15.457117 32.363586 1 1060 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 81.64 32.342606 -18.563194 31.143326 1 1061 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 78.12 32.393154 -17.77076 29.97014 1 1062 +ATOM N N . SER A0 1 137 . 137 SER A0 N 82.03 33.401115 -16.320448 32.556656 1 1063 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 80.47 34.023724 -15.010106 32.680668 1 1064 +ATOM C C . SER A0 1 137 . 137 SER A0 C 81.25 33.882156 -14.21008 31.388802 1 1065 +ATOM O O . SER A0 1 137 . 137 SER A0 O 78.52 33.99874 -12.982444 31.400988 1 1066 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 77.73 35.50406 -15.157582 33.047005 1 1067 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 73.44 36.227535 -15.835945 32.040894 1 1068 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 80.47 33.627983 -14.90965 30.268606 1 1069 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 79.3 33.460213 -14.260923 28.966125 1 1070 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 79.3 32.013176 -13.829868 28.72261 1 1071 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 76.17 31.7292 -13.201649 27.704094 1 1072 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 76.95 33.914104 -15.197783 27.849037 1 1073 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 73.83 35.36864 -15.653026 27.973701 1 1074 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 71.09 36.340332 -14.472939 27.887619 1 1075 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 67.97 37.792496 -14.94447 27.952118 1 1076 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 65.62 38.73613 -13.804733 27.898376 1 1077 +ATOM N N . SER A0 1 139 . 139 SER A0 N 81.64 31.081308 -14.193374 29.61829 1 1078 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 81.25 29.685532 -13.796281 29.512829 1 1079 +ATOM C C . SER A0 1 139 . 139 SER A0 C 81.64 29.23511 -13.133168 30.803083 1 1080 +ATOM O O . SER A0 1 139 . 139 SER A0 O 78.91 28.095867 -13.2848625 31.226536 1 1081 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 79.3 28.797558 -15.0007515 29.199234 1 1082 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 76.56 28.843578 -15.959015 30.244188 1 1083 +ATOM N N . THR A0 1 140 . 140 THR A0 N 81.64 30.157097 -12.38754 31.428333 1 1084 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 81.25 29.888233 -11.68124 32.673054 1 1085 +ATOM C C . THR A0 1 140 . 140 THR A0 C 82.03 30.344648 -10.23711 32.534164 1 1086 +ATOM O O . THR A0 1 140 . 140 THR A0 O 79.3 31.414898 -9.970551 31.994286 1 1087 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 78.91 30.612988 -12.332573 33.858818 1 1088 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 75.0 30.206127 -13.696565 33.97902 1 1089 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 73.05 30.308508 -11.603352 35.15782 1 1090 +ATOM N N . SER A0 1 141 . 141 SER A0 N 80.47 29.517374 -9.314956 33.002106 1 1091 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 80.08 29.845034 -7.8905425 32.995094 1 1092 +ATOM C C . SER A0 1 141 . 141 SER A0 C 80.86 29.442362 -7.3247643 34.3495 1 1093 +ATOM O O . SER A0 1 141 . 141 SER A0 O 78.12 28.25509 -7.1913505 34.64898 1 1094 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 77.73 29.11837 -7.170787 31.871666 1 1095 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 73.83 29.400583 -5.7734365 31.90381 1 1096 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 81.25 30.44117 -7.000813 35.162292 1 1097 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 80.47 30.155846 -6.518218 36.50168 1 1098 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 81.64 29.470505 -7.5979877 37.32727 1 1099 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 78.52 29.987326 -8.70069 37.46131 1 1100 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 85.94 28.279816 -7.2892475 37.85617 1 1101 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 86.33 27.53953 -8.262195 38.64985 1 1102 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 87.89 26.464924 -8.987703 37.866516 1 1103 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 86.33 25.594341 -9.624399 38.45833 1 1104 +ATOM N N . THR A0 1 144 . 144 THR A0 N 90.23 26.528912 -8.909676 36.516357 1 1105 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 90.23 25.53735 -9.554533 35.6596 1 1106 +ATOM C C . THR A0 1 144 . 144 THR A0 C 91.02 26.182808 -10.6201515 34.78842 1 1107 +ATOM O O . THR A0 1 144 . 144 THR A0 O 89.45 27.247013 -10.400442 34.216522 1 1108 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 88.28 24.833424 -8.514582 34.77005 1 1109 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 84.77 24.165401 -7.558777 35.591087 1 1110 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 83.2 23.815113 -9.180032 33.854504 1 1111 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 92.97 25.519882 -11.772491 34.691498 1 1112 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 93.36 26.001926 -12.868913 33.855488 1 1113 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 94.14 24.949055 -13.187998 32.800312 1 1114 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 93.75 23.75022 -13.079696 33.05413 1 1115 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 91.8 26.284475 -14.109978 34.69989 1 1116 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 95.31 25.40121 -13.560317 31.592903 1 1117 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 94.92 24.498478 -13.966871 30.524578 1 1118 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 94.92 24.644333 -15.463958 30.286728 1 1119 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 94.53 25.747208 -16.002136 30.328472 1 1120 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 94.92 24.79578 -13.195765 29.243423 1 1121 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 96.09 23.534452 -16.128595 30.040123 1 1122 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 96.09 23.527004 -17.54543 29.732456 1 1123 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 96.48 22.351173 -17.81167 28.790663 1 1124 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 95.7 21.476513 -16.958275 28.615993 1 1125 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 95.7 23.39973 -18.405148 31.004425 1 1126 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 94.14 22.173977 -18.189314 31.889402 1 1127 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 92.19 21.094791 -19.216213 31.588997 1 1128 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 91.41 22.55244 -18.220978 33.367348 1 1129 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 96.88 22.33221 -18.992224 28.175669 1 1130 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 96.88 21.233917 -19.275984 27.271187 1 1131 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 96.48 21.23355 -20.691975 26.737822 1 1132 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 96.48 21.930862 -21.57463 27.24567 1 1133 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 97.66 20.39355 -20.888111 25.716171 1 1134 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 97.27 20.267002 -22.17555 25.046406 1 1135 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 97.27 20.268496 -21.95222 23.539612 1 1136 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 96.88 19.604355 -21.032896 23.04625 1 1137 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 96.48 18.968445 -22.882404 25.450016 1 1138 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 92.19 18.993382 -23.599964 27.080166 1 1139 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 97.66 21.033634 -22.782534 22.816013 1 1140 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 97.66 21.062176 -22.762886 21.35845 1 1141 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 97.66 20.135517 -23.87509 20.87887 1 1142 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 97.27 20.367588 -25.05258 21.174238 1 1143 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 97.27 22.494486 -22.989235 20.848976 1 1144 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 96.48 22.679642 -23.137236 19.338951 1 1145 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 93.36 24.138351 -23.481792 19.029905 1 1146 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 93.36 22.260006 -21.866644 18.610054 1 1147 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 97.66 19.066662 -23.493715 20.171513 1 1148 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 97.66 18.066397 -24.440836 19.68341 1 1149 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 97.27 18.319744 -24.598675 18.187286 1 1150 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 96.88 17.938389 -23.744469 17.376694 1 1151 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 97.27 16.639656 -23.915932 19.965694 1 1152 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 94.92 15.601607 -24.946815 19.553204 1 1153 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 94.14 16.491356 -23.569214 21.453001 1 1154 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 97.27 19.000355 -25.69077 17.825619 1 1155 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 97.27 19.563694 -25.829815 16.489143 1 1156 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 97.27 18.974726 -26.974936 15.656109 1 1157 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 96.48 18.63016 -28.034674 16.182304 1 1158 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 96.88 21.08353 -26.003855 16.599941 1 1159 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 95.7 21.8265 -25.963562 15.276262 1 1160 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 94.14 23.329643 -25.90697 15.492464 1 1161 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 92.97 24.1016 -26.174782 14.208793 1 1162 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 89.84 23.831633 -25.168465 13.160793 1 1163 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 96.48 18.888739 -26.716213 14.361501 1 1164 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 96.48 18.557917 -27.701454 13.338702 1 1165 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 96.88 17.164848 -28.31559 13.496113 1 1166 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 96.48 17.017965 -29.526793 13.688648 1 1167 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 96.09 19.626741 -28.803091 13.287103 1 1168 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 95.31 20.982456 -28.284403 12.846235 1 1169 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 94.53 21.02978 -27.236712 12.158739 1 1170 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 93.36 22.003983 -28.919716 13.171089 1 1171 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 95.7 16.134857 -27.481018 13.35593 1 1172 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 96.09 14.763648 -27.972925 13.40684 1 1173 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 95.7 13.980942 -27.491938 12.183912 1 1174 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 95.31 14.390739 -26.560188 11.483345 1 1175 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 96.09 14.058968 -27.531563 14.699274 1 1176 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 96.09 13.855251 -26.040483 14.833408 1 1177 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 94.53 14.816782 -25.24187 15.444633 1 1178 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 94.53 12.699121 -25.430008 14.369095 1 1179 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 93.75 14.629658 -23.876282 15.586908 1 1180 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 94.14 12.503271 -24.071836 14.506881 1 1181 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 95.7 13.467914 -23.293438 15.119722 1 1182 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 95.7 13.281839 -21.953133 15.257477 1 1183 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 95.31 12.86913 -28.174168 11.936346 1 1184 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 95.31 11.977528 -27.810188 10.833646 1 1185 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 94.92 10.618409 -28.448036 11.067588 1 1186 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 94.53 10.546068 -29.592598 11.497782 1 1187 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 94.53 12.545609 -28.27694 9.48304 1 1188 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 93.75 11.705841 -27.8466 8.318794 1 1189 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 92.58 10.699598 -28.670498 7.8254843 1 1190 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 91.8 11.901953 -26.607313 7.7282815 1 1191 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 90.62 9.90252 -28.264746 6.772156 1 1192 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 90.62 11.1075115 -26.199188 6.6749907 1 1193 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 91.02 10.110836 -27.025558 6.190991 1 1194 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 93.36 9.530142 -27.722492 10.774353 1 1195 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 93.36 9.459687 -26.301132 10.403991 1 1196 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 93.36 9.327641 -25.41408 11.641542 1 1197 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 92.97 9.455694 -25.899696 12.776652 1 1198 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 92.58 8.167285 -26.257034 9.573477 1 1199 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 91.41 7.2757893 -27.224741 10.292307 1 1200 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 91.02 8.176371 -28.338524 10.766217 1 1201 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 92.19 9.115114 -24.14544 11.421438 1 1202 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 91.41 8.776623 -23.233873 12.51627 1 1203 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 91.41 7.39811 -23.625813 13.037306 1 1204 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 89.84 6.5970726 -24.230053 12.312247 1 1205 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 90.23 8.74205 -21.792374 11.989513 1 1206 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 88.67 10.117819 -21.183208 11.76647 1 1207 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 87.89 10.5921755 -20.401709 12.964624 1 1208 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 85.94 10.790791 -21.013485 14.037827 1 1209 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 85.55 10.760086 -19.16758 12.844084 1 1210 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 91.8 7.0602407 -23.317081 14.281601 1 1211 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 91.41 7.8564587 -22.590115 15.274438 1 1212 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 92.19 8.343876 -23.469666 16.411163 1 1213 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 91.8 7.957923 -24.642365 16.50853 1 1214 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 89.84 6.8299427 -21.589798 15.839264 1 1215 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 87.89 5.56235 -22.39795 15.8850975 1 1216 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 87.11 5.6200857 -23.345028 14.701344 1 1217 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 95.31 9.211004 -22.906834 17.23865 1 1218 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 95.7 9.568095 -23.494179 18.526596 1 1219 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 95.31 9.229465 -22.454365 19.577923 1 1220 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 94.53 9.213774 -21.250416 19.302404 1 1221 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 94.92 11.068491 -23.858372 18.647377 1 1222 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 92.97 11.442057 -24.978626 17.701946 1 1223 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 92.19 11.945343 -22.637196 18.44909 1 1224 +ATOM N N . THR A0 1 160 . 160 THR A0 N 96.48 8.912584 -22.920597 20.788162 1 1225 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 95.7 8.6765785 -22.010847 21.899704 1 1226 +ATOM C C . THR A0 1 160 . 160 THR A0 C 96.09 9.731674 -22.294231 22.961905 1 1227 +ATOM O O . THR A0 1 160 . 160 THR A0 O 95.7 10.132565 -23.446117 23.157284 1 1228 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 95.31 7.275977 -22.182594 22.515873 1 1229 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 91.41 7.106901 -23.533949 22.962961 1 1230 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 89.84 6.197057 -21.853346 21.49237 1 1231 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 97.27 10.207939 -21.24044 23.612818 1 1232 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 97.27 11.210775 -21.378593 24.660866 1 1233 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 96.88 10.756 -20.598488 25.88895 1 1234 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 96.48 10.370964 -19.432354 25.787298 1 1235 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 97.27 12.597698 -20.854647 24.21696 1 1236 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 93.75 13.626343 -21.07456 25.327587 1 1237 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 92.97 13.051792 -21.53336 22.932308 1 1238 +ATOM N N . SER A0 1 162 . 162 SER A0 N 96.88 10.789149 -21.25012 27.034338 1 1239 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 96.88 10.537733 -20.588005 28.305824 1 1240 +ATOM C C . SER A0 1 162 . 162 SER A0 C 96.88 11.700335 -20.900913 29.232594 1 1241 +ATOM O O . SER A0 1 162 . 162 SER A0 O 96.48 12.511047 -21.789425 28.946442 1 1242 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 96.48 9.20783 -21.044325 28.929665 1 1243 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 94.53 9.251624 -22.421707 29.265015 1 1244 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 96.88 11.783114 -20.175783 30.333733 1 1245 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 97.27 12.834816 -20.406195 31.30566 1 1246 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 96.88 12.213737 -20.70865 32.666367 1 1247 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 96.09 11.304642 -20.006523 33.113487 1 1248 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 96.88 13.780403 -19.195133 31.387348 1 1249 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 96.88 14.705058 -19.122086 30.2142 1 1250 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 96.09 14.465099 -18.511974 29.022354 1 1251 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 96.48 16.003208 -19.704472 30.116135 1 1252 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 95.31 15.536327 -18.678608 28.181309 1 1253 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 96.09 16.496151 -19.400871 28.8311 1 1254 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 96.48 16.805227 -20.45327 30.994186 1 1255 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 96.48 17.751837 -19.82464 28.392803 1 1256 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 96.09 18.051342 -20.87527 30.5581 1 1257 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 96.09 18.51541 -20.563145 29.274544 1 1258 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 96.48 12.708199 -21.751652 33.28923 1 1259 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 96.88 12.218666 -22.204157 34.593742 1 1260 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 96.48 10.690859 -22.325977 34.5949 1 1261 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 95.7 10.003042 -21.855175 35.49385 1 1262 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 96.48 12.693608 -21.264404 35.707092 1 1263 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 95.7 14.193257 -21.350037 35.910477 1 1264 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 93.36 14.871403 -22.172266 35.297558 1 1265 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 92.58 14.734083 -20.4847 36.760525 1 1266 +ATOM N N . SER A0 1 165 . 165 SER A0 N 96.48 10.175265 -22.979513 33.510494 1 1267 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 96.09 8.747519 -23.250961 33.34571 1 1268 +ATOM C C . SER A0 1 165 . 165 SER A0 C 96.48 7.904398 -21.976448 33.40604 1 1269 +ATOM O O . SER A0 1 165 . 165 SER A0 O 95.7 6.7600136 -22.001865 33.859055 1 1270 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 95.7 8.259672 -24.26401 34.380623 1 1271 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 92.97 8.969339 -25.488197 34.267097 1 1272 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 95.7 8.481215 -20.867332 32.932198 1 1273 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 96.09 7.762706 -19.607967 32.87954 1 1274 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 96.09 7.976991 -18.697784 34.061924 1 1275 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 95.31 7.507353 -17.562017 34.047462 1 1276 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 96.09 8.673673 -19.1619 35.069767 1 1277 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 95.7 8.910845 -18.36222 36.267567 1 1278 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 96.09 9.944582 -17.263847 36.03366 1 1279 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 95.31 9.971518 -16.269724 36.76368 1 1280 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 95.31 9.348089 -19.255196 37.424614 1 1281 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 96.48 10.814266 -17.462797 35.02282 1 1282 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 96.48 11.850022 -16.481462 34.71837 1 1283 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 96.48 11.5386095 -15.813923 33.38159 1 1284 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 96.09 11.563627 -16.466835 32.341393 1 1285 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 96.09 13.22938 -17.154778 34.66583 1 1286 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 95.31 14.420408 -16.26511 34.29412 1 1287 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 92.58 15.704204 -17.09076 34.27897 1 1288 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 91.8 14.546143 -15.079681 35.23809 1 1289 +ATOM N N . THR A0 1 169 . 169 THR A0 N 95.31 11.201061 -14.530435 33.41565 1 1290 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 94.92 10.888966 -13.78815 32.202656 1 1291 +ATOM C C . THR A0 1 169 . 169 THR A0 C 94.92 11.717731 -12.516539 32.085068 1 1292 +ATOM O O . THR A0 1 169 . 169 THR A0 O 94.14 11.995868 -12.067348 30.973995 1 1293 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 94.92 9.39164 -13.417303 32.1479 1 1294 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 91.8 9.041313 -12.651266 33.30265 1 1295 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 90.62 8.522707 -14.675999 32.09504 1 1296 +ATOM N N . SER A0 1 170 . 170 SER A0 N 94.92 12.109142 -11.94003 33.198006 1 1297 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 94.53 12.8903885 -10.7060175 33.190395 1 1298 +ATOM C C . SER A0 1 170 . 170 SER A0 C 95.31 14.285728 -10.959337 32.61718 1 1299 +ATOM O O . SER A0 1 170 . 170 SER A0 O 94.92 14.964922 -11.897821 33.022533 1 1300 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 92.97 12.993372 -10.141489 34.60322 1 1301 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 87.5 13.750452 -8.945711 34.62368 1 1302 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 94.92 14.683398 -10.1303005 31.659996 1 1303 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 95.31 16.000492 -10.242149 31.059982 1 1304 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 95.7 16.113083 -11.2964115 29.976633 1 1305 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 95.31 17.208904 -11.531874 29.473602 1 1306 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 96.48 14.992153 -11.929031 29.60669 1 1307 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 96.48 15.001841 -12.976896 28.587729 1 1308 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 96.09 14.881286 -12.374989 27.188473 1 1309 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 95.7 14.063524 -11.475925 26.95745 1 1310 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 96.48 13.856778 -13.988283 28.818596 1 1311 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 94.92 13.765542 -14.97018 27.64941 1 1312 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 94.14 14.072151 -14.7378025 30.124996 1 1313 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 96.88 15.691512 -12.877092 26.260967 1 1314 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 96.88 15.576332 -12.539648 24.844517 1 1315 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 97.66 15.591696 -13.833801 24.046011 1 1316 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 97.27 16.608078 -14.541325 24.036457 1 1317 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 96.48 16.736801 -11.644754 24.370483 1 1318 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 95.7 16.751549 -10.285887 24.986065 1 1319 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 90.62 15.708704 -9.389357 24.843721 1 1320 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 89.84 17.683783 -9.670799 25.726864 1 1321 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 90.23 16.000023 -8.282769 25.485153 1 1322 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 91.02 17.199642 -8.41765 26.037338 1 1323 +ATOM N N . THR A0 1 174 . 174 THR A0 N 96.48 14.48548 -14.140627 23.391325 1 1324 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 96.88 14.433906 -15.291697 22.497108 1 1325 +ATOM C C . THR A0 1 174 . 174 THR A0 C 96.48 14.416391 -14.732882 21.073753 1 1326 +ATOM O O . THR A0 1 174 . 174 THR A0 O 96.09 13.466263 -14.066736 20.667887 1 1327 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 96.88 13.199423 -16.163729 22.774517 1 1328 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 95.7 13.315483 -16.712185 24.105143 1 1329 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 95.31 13.129342 -17.318493 21.777983 1 1330 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 96.88 15.500748 -14.982661 20.349098 1 1331 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 96.88 15.691667 -14.386321 19.030952 1 1332 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 96.48 14.857428 -15.0546875 17.939653 1 1333 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 96.09 14.544409 -16.239517 18.029972 1 1334 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 96.88 17.167887 -14.438749 18.638391 1 1335 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 97.27 18.036854 -13.568752 19.488659 1 1336 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 95.7 18.624504 -14.063498 20.648653 1 1337 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 94.53 18.254372 -12.246961 19.13815 1 1338 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 95.31 19.404554 -13.243914 21.44785 1 1339 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 95.31 19.035156 -11.422342 19.931957 1 1340 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 96.88 19.614477 -11.926125 21.091934 1 1341 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 94.92 14.494427 -14.271024 16.896341 1 1342 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 94.53 13.815287 -14.869226 15.741712 1 1343 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 95.31 14.72061 -15.939448 15.133421 1 1344 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 95.31 15.945928 -15.790188 15.112894 1 1345 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 93.36 13.628178 -13.684637 14.785437 1 1346 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 91.8 13.639181 -12.476687 15.673575 1 1347 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 93.36 14.635602 -12.812134 16.745815 1 1348 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 94.14 14.109474 -17.012962 14.655687 1 1349 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 94.14 14.881041 -18.0916 14.04352 1 1350 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 93.75 15.507394 -17.620346 12.735189 1 1351 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 92.97 14.978999 -16.732746 12.06724 1 1352 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 94.14 13.980651 -19.296238 13.789495 1 1353 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 95.31 16.641422 -18.221687 12.375321 1 1354 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 95.31 17.273462 -17.968836 11.091454 1 1355 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 95.31 17.258991 -19.272274 10.298265 1 1356 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 94.53 17.355885 -20.361881 10.867294 1 1357 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 94.53 18.726357 -17.452143 11.228193 1 1358 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 92.58 18.744661 -16.114359 11.963452 1 1359 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 91.8 19.607779 -18.477184 11.916762 1 1360 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 93.36 17.088604 -19.140026 8.975414 1 1361 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 92.97 17.094427 -20.309832 8.099994 1 1362 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 93.36 18.526901 -20.556225 7.6361637 1 1363 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 92.58 19.129227 -19.71096 6.9699 1 1364 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 91.8 16.178774 -20.081593 6.8956356 1 1365 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 90.62 16.0582 -21.255457 5.9203196 1 1366 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 88.67 15.216641 -20.848404 4.7158513 1 1367 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 87.89 15.446089 -22.469055 6.618087 1 1368 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 94.53 19.072823 -21.705185 7.994692 1 1369 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 94.53 20.440346 -22.060299 7.6407576 1 1370 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 93.75 20.49277 -22.608206 6.211718 1 1371 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 92.19 19.468782 -22.965368 5.628863 1 1372 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 94.53 20.98059 -23.101292 8.619829 1 1373 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 94.14 20.964725 -22.637043 10.065434 1 1374 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 94.53 21.253841 -23.754906 11.044683 1 1375 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 90.62 22.333319 -23.817451 11.625271 1 1376 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 89.84 20.292343 -24.654913 11.209862 1 1377 +ATOM N N . SER A0 1 181 . 181 SER A0 N 93.36 21.70364 -22.645882 5.636123 1 1378 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 92.19 21.871988 -23.138752 4.2692394 1 1379 +ATOM C C . SER A0 1 181 . 181 SER A0 C 92.58 21.418716 -24.587448 4.129379 1 1380 +ATOM O O . SER A0 1 181 . 181 SER A0 O 91.02 21.110996 -25.03578 3.0196347 1 1381 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 90.62 23.33794 -23.00356 3.838396 1 1382 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 87.5 24.18317 -23.744244 4.681925 1 1383 +ATOM N N . SER A0 1 182 . 182 SER A0 N 93.36 21.362469 -25.308624 5.237572 1 1384 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 92.97 20.90682 -26.700542 5.252167 1 1385 +ATOM C C . SER A0 1 182 . 182 SER A0 C 92.58 19.39861 -26.809925 5.056634 1 1386 +ATOM O O . SER A0 1 182 . 182 SER A0 O 91.41 18.894176 -27.90461 4.7753954 1 1387 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 92.58 21.298538 -27.364733 6.5717916 1 1388 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 91.8 20.645855 -26.730621 7.65292 1 1389 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 93.36 18.688005 -25.696648 5.2013245 1 1390 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 93.36 17.239357 -25.707884 5.117284 1 1391 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 93.75 16.569275 -25.894665 6.463663 1 1392 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 93.36 15.34094 -25.956472 6.542465 1 1393 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 95.31 17.388893 -25.983372 7.522387 1 1394 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 95.31 16.879154 -26.140484 8.877242 1 1395 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 94.92 16.999783 -24.820147 9.624971 1 1396 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 94.92 17.847637 -23.984507 9.297477 1 1397 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 95.31 17.645823 -27.238789 9.62067 1 1398 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 94.92 17.64901 -28.626286 8.962874 1 1399 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 93.36 18.591284 -29.562359 9.710337 1 1400 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 92.97 16.244701 -29.197153 8.907781 1 1401 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 95.7 16.161942 -24.628405 10.636108 1 1402 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 95.7 16.163864 -23.398254 11.418015 1 1403 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 96.09 17.02641 -23.514948 12.665895 1 1404 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 96.09 17.296078 -24.615383 13.1521225 1 1405 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 94.92 14.734583 -23.021545 11.835436 1 1406 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 94.14 13.839338 -22.628887 10.684825 1 1407 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 92.97 12.986803 -23.551842 10.091814 1 1408 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 92.58 13.838554 -21.331299 10.195398 1 1409 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 91.02 12.16032 -23.195456 9.039734 1 1410 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 91.02 13.012213 -20.958794 9.142103 1 1411 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 91.02 12.172576 -21.901606 8.57235 1 1412 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 89.84 11.357916 -21.541477 7.53856 1 1413 +ATOM N N . SER A0 1 186 . 186 SER A0 N 96.48 17.437172 -22.375116 13.179371 1 1414 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 96.88 18.21317 -22.309757 14.412637 1 1415 +ATOM C C . SER A0 1 186 . 186 SER A0 C 96.48 17.902935 -20.996685 15.116033 1 1416 +ATOM O O . SER A0 1 186 . 186 SER A0 O 96.48 17.725647 -19.964851 14.465311 1 1417 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 96.48 19.71352 -22.407482 14.118668 1 1418 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 94.53 20.48957 -22.346476 15.311822 1 1419 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 97.66 17.855146 -21.027191 16.439957 1 1420 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 97.27 17.6908 -19.806183 17.216843 1 1421 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 97.66 18.367268 -19.95433 18.569286 1 1422 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 97.27 18.704159 -21.062181 18.98488 1 1423 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 96.48 16.216148 -19.424099 17.39476 1 1424 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 96.09 15.265011 -20.272161 18.244137 1 1425 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 94.14 13.815598 -19.884966 17.929256 1 1426 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 93.75 15.515821 -20.137814 19.753277 1 1427 +ATOM N N . SER A0 1 188 . 188 SER A0 N 98.05 18.577826 -18.83342 19.240768 1 1428 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 98.05 19.117725 -18.841354 20.5943 1 1429 +ATOM C C . SER A0 1 188 . 188 SER A0 C 98.05 18.173843 -18.084732 21.511995 1 1430 +ATOM O O . SER A0 1 188 . 188 SER A0 O 98.05 17.47602 -17.157139 21.085495 1 1431 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 97.27 20.501701 -18.18537 20.644245 1 1432 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 91.02 21.488174 -19.027433 20.080755 1 1433 +ATOM N N . SER A0 1 189 . 189 SER A0 N 97.66 18.115772 -18.516329 22.75386 1 1434 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 97.66 17.36596 -17.818 23.792255 1 1435 +ATOM C C . SER A0 1 189 . 189 SER A0 C 97.27 18.363117 -17.529325 24.90488 1 1436 +ATOM O O . SER A0 1 189 . 189 SER A0 O 96.88 19.060188 -18.43644 25.366016 1 1437 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 97.66 16.20582 -18.664627 24.315176 1 1438 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 95.31 15.480591 -17.974285 25.332867 1 1439 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 97.66 18.443321 -16.253414 25.302979 1 1440 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 97.27 19.40131 -15.879866 26.339102 1 1441 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 97.27 18.689123 -15.160423 27.478485 1 1442 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 96.88 17.561565 -14.682972 27.332651 1 1443 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 96.88 20.52519 -14.96566 25.789093 1 1444 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 93.36 21.289276 -15.6771145 24.677376 1 1445 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 92.19 19.95134 -13.642089 25.296892 1 1446 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 96.48 19.365047 -15.113951 28.625772 1 1447 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 96.48 18.828846 -14.400181 29.780514 1 1448 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 96.48 20.004442 -13.853949 30.590652 1 1449 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 95.7 21.055838 -14.497832 30.68349 1 1450 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 96.48 17.927843 -15.317426 30.656881 1 1451 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 93.75 17.308323 -14.528008 31.812288 1 1452 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 91.8 18.695084 -16.520512 31.178637 1 1453 +ATOM N N . THR A0 1 192 . 192 THR A0 N 95.31 19.829088 -12.642232 31.13179 1 1454 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 94.92 20.84473 -12.073471 32.006485 1 1455 +ATOM C C . THR A0 1 192 . 192 THR A0 C 95.31 20.355818 -12.213891 33.444588 1 1456 +ATOM O O . THR A0 1 192 . 192 THR A0 O 94.53 19.178486 -11.957147 33.74684 1 1457 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 94.53 21.132114 -10.587175 31.687008 1 1458 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 91.02 19.898548 -9.869043 31.628231 1 1459 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 89.84 21.86712 -10.460679 30.363403 1 1460 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 94.53 21.25306 -12.63893 34.330368 1 1461 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 94.14 20.92707 -12.902893 35.733757 1 1462 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 93.75 22.041069 -12.363926 36.625614 1 1463 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 92.58 23.14495 -12.077566 36.158295 1 1464 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 94.14 20.748045 -14.420347 36.000298 1 1465 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 92.97 19.622742 -14.998037 35.13697 1 1466 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 91.8 22.059341 -15.154926 35.734367 1 1467 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 93.36 21.75715 -12.203558 37.929104 1 1468 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 92.97 22.830074 -11.780419 38.834854 1 1469 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 92.97 23.926525 -12.845048 38.870804 1 1470 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 92.58 23.629486 -14.037424 38.989807 1 1471 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 92.58 22.130157 -11.648714 40.19239 1 1472 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 91.41 20.683067 -11.447569 39.864994 1 1473 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 91.41 20.464827 -12.279388 38.638474 1 1474 +ATOM N N . SER A0 1 195 . 195 SER A0 N 91.41 25.175186 -12.419916 38.747852 1 1475 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 90.62 26.275234 -13.379048 38.770416 1 1476 +ATOM C C . SER A0 1 195 . 195 SER A0 C 91.02 26.346275 -14.102824 40.111893 1 1477 +ATOM O O . SER A0 1 195 . 195 SER A0 O 89.84 26.830692 -15.234282 40.184444 1 1478 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 89.84 27.602913 -12.676174 38.472717 1 1479 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 85.94 27.853006 -11.6262045 39.384163 1 1480 +ATOM N N . SER A0 1 196 . 196 SER A0 N 91.02 25.834877 -13.47427 41.168957 1 1481 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 90.23 25.84232 -14.088011 42.49345 1 1482 +ATOM C C . SER A0 1 196 . 196 SER A0 C 90.23 24.888897 -15.274731 42.59099 1 1483 +ATOM O O . SER A0 1 196 . 196 SER A0 O 88.67 25.0019 -16.080837 43.517822 1 1484 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 89.84 25.466236 -13.048453 43.561523 1 1485 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 87.5 24.168293 -12.525523 43.331917 1 1486 +ATOM N N . SER A0 1 197 . 197 SER A0 N 92.19 23.95512 -15.389005 41.623928 1 1487 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 92.19 22.995146 -16.489689 41.64393 1 1488 +ATOM C C . SER A0 1 197 . 197 SER A0 C 92.19 23.546518 -17.756823 41.010612 1 1489 +ATOM O O . SER A0 1 197 . 197 SER A0 O 91.02 22.967752 -18.830557 41.185352 1 1490 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 91.41 21.702057 -16.080162 40.938858 1 1491 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 90.23 21.900629 -15.980112 39.542484 1 1492 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 90.62 24.657244 -17.636782 40.269634 1 1493 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 90.62 25.246124 -18.803513 39.62455 1 1494 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 89.84 25.738533 -19.797482 40.684456 1 1495 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 88.67 26.477535 -19.428074 41.597557 1 1496 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 90.23 26.414192 -18.389906 38.718475 1 1497 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 89.06 26.0576 -17.476143 37.54444 1 1498 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 87.11 27.314762 -17.113775 36.77108 1 1499 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 86.33 25.021713 -18.096428 36.646706 1 1500 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 90.23 25.326118 -21.029617 40.5906 1 1501 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 89.45 25.699137 -22.05886 41.542618 1 1502 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 89.84 24.66617 -22.281578 42.62652 1 1503 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 87.89 24.666405 -23.333485 43.273994 1 1504 +ATOM N N . THR A0 1 200 . 200 THR A0 N 91.41 23.761618 -21.303375 42.82679 1 1505 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 91.41 22.716288 -21.448399 43.83303 1 1506 +ATOM C C . THR A0 1 200 . 200 THR A0 C 92.19 21.323734 -21.52633 43.206734 1 1507 +ATOM O O . THR A0 1 200 . 200 THR A0 O 91.02 20.44645 -22.196346 43.738182 1 1508 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 89.84 22.749496 -20.290474 44.847298 1 1509 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 87.11 22.610947 -19.050682 44.157192 1 1510 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 84.77 24.06198 -20.295048 45.624283 1 1511 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 92.97 21.136574 -20.845316 42.081314 1 1512 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 93.75 19.859674 -20.862148 41.372868 1 1513 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 93.75 19.963799 -21.775547 40.15925 1 1514 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 92.58 20.948744 -21.71899 39.41568 1 1515 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 92.58 19.475248 -19.442547 40.942673 1 1516 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 90.23 18.211922 -19.359295 40.084793 1 1517 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 88.67 16.963762 -19.755135 40.842182 1 1518 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 85.16 16.70259 -19.23883 41.92357 1 1519 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 83.98 16.200657 -20.687222 40.290745 1 1520 +ATOM N N . THR A0 1 202 . 202 THR A0 N 94.92 18.94062 -22.590815 39.932785 1 1521 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 94.92 18.898525 -23.487335 38.783657 1 1522 +ATOM C C . THR A0 1 202 . 202 THR A0 C 95.7 18.26312 -22.771759 37.600464 1 1523 +ATOM O O . THR A0 1 202 . 202 THR A0 O 94.92 17.199389 -22.160381 37.73316 1 1524 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 93.75 18.09996 -24.755371 39.112312 1 1525 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 89.84 18.770048 -25.468857 40.16497 1 1526 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 87.89 17.982815 -25.659805 37.88973 1 1527 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 96.48 18.910486 -22.84024 36.42333 1 1528 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 96.09 18.39019 -22.243668 35.210003 1 1529 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 96.09 18.150852 -23.327665 34.165592 1 1530 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 95.7 19.083645 -24.009201 33.750305 1 1531 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 95.7 19.341766 -21.163858 34.67601 1 1532 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 95.31 19.469803 -19.994709 35.62803 1 1533 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 92.58 20.62262 -19.794512 36.377563 1 1534 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 92.19 18.421032 -19.097355 35.77603 1 1535 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 91.8 20.721157 -18.734016 37.257607 1 1536 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 92.19 18.51214 -18.035841 36.654564 1 1537 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 93.75 19.665981 -17.853928 37.396915 1 1538 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 93.36 19.762833 -16.81071 38.269806 1 1539 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 97.27 16.885906 -23.480616 33.7387 1 1540 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 96.88 16.479599 -24.505655 32.78387 1 1541 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 97.27 15.694962 -23.855822 31.647514 1 1542 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 96.88 14.737164 -23.12183 31.892614 1 1543 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 96.48 15.596285 -25.576738 33.46029 1 1544 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 92.97 16.375452 -26.291113 34.575584 1 1545 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 92.58 15.09704 -26.590279 32.422813 1 1546 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 90.62 15.51178 -27.20071 35.446095 1 1547 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 97.27 16.138004 -24.119799 30.37903 1 1548 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 96.88 15.352537 -23.645073 29.244818 1 1549 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 96.88 14.430056 -24.777367 28.820194 1 1550 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 96.09 14.847675 -25.93499 28.71378 1 1551 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 96.48 16.233418 -23.18024 28.081549 1 1552 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 94.92 17.181782 -24.44627 27.254875 1 1553 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 96.88 13.134529 -24.433628 28.628391 1 1554 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 96.48 12.114763 -25.40639 28.24665 1 1555 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 96.88 11.775323 -25.174335 26.780352 1 1556 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 96.48 11.192133 -24.138998 26.427338 1 1557 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 96.48 10.854612 -25.248352 29.112934 1 1558 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 96.48 11.185385 -24.984314 30.563198 1 1559 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 92.97 11.010498 -23.849068 31.049973 1 1560 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 92.58 11.665401 -25.984608 31.268656 1 1561 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 96.88 12.173021 -26.133106 25.937649 1 1562 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 96.88 12.005163 -26.007694 24.495464 1 1563 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 96.88 10.90506 -26.95057 24.012964 1 1564 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 96.09 10.908051 -28.139166 24.342857 1 1565 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 96.88 13.329765 -26.317192 23.757397 1 1566 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 93.75 13.1405735 -26.214386 22.249668 1 1567 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 93.75 14.430855 -25.375803 24.228266 1 1568 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 96.48 9.965066 -26.398071 23.218517 1 1569 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 96.48 8.865141 -27.192457 22.694336 1 1570 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 96.09 8.7582855 -26.985117 21.183403 1 1571 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 95.7 8.622593 -25.84785 20.720312 1 1572 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 95.7 7.547185 -26.808601 23.375881 1 1573 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 92.58 6.416727 -27.759224 23.04757 1 1574 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 89.45 6.6364584 -28.837353 22.493866 1 1575 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 88.28 5.19977 -27.386972 23.401419 1 1576 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 95.7 8.841429 -28.074558 20.43857 1 1577 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 95.7 8.677828 -28.063719 18.98333 1 1578 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 95.31 7.5163813 -28.994522 18.648304 1 1579 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 94.53 7.695987 -30.207405 18.496298 1 1580 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 95.31 9.958057 -28.51663 18.272133 1 1581 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 95.7 9.8759365 -28.432936 16.778227 1 1582 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 92.97 10.092054 -29.518469 15.95592 1 1583 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 92.58 9.628374 -27.383692 15.963357 1 1584 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 92.58 9.958429 -29.134644 14.700376 1 1585 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 92.97 9.679638 -27.841084 14.669377 1 1586 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 92.97 6.3359814 -28.409027 18.586292 1 1587 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 92.19 5.1122775 -29.182459 18.404327 1 1588 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 92.58 5.0713806 -29.991592 17.110182 1 1589 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 91.8 4.5684614 -31.118856 17.120018 1 1590 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 91.02 3.8865147 -28.261753 18.498829 1 1591 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 87.11 3.6580153 -27.705753 19.894262 1 1592 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 83.98 2.3964224 -26.851854 19.953075 1 1593 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 80.08 2.1834974 -26.310726 21.363905 1 1594 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 76.17 0.9659234 -25.466818 21.442 1 1595 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 92.58 5.5760946 -29.459196 15.954971 1 1596 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 91.8 5.514056 -30.248692 14.717974 1 1597 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 92.19 6.1937084 -31.610355 14.82159 1 1598 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 91.02 5.8034897 -32.537697 14.103361 1 1599 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 91.02 6.2185507 -29.351475 13.692702 1 1600 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 89.45 5.9614987 -27.962753 14.192179 1 1601 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 90.23 6.072006 -28.088865 15.692853 1 1602 +ATOM N N . SER A0 1 212 . 212 SER A0 N 94.53 7.211708 -31.75946 15.68597 1 1603 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 94.14 7.9096613 -33.02966 15.849598 1 1604 +ATOM C C . SER A0 1 212 . 212 SER A0 C 93.75 7.6387343 -33.674744 17.200562 1 1605 +ATOM O O . SER A0 1 212 . 212 SER A0 O 93.36 8.234959 -34.705032 17.520315 1 1606 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 94.14 9.423372 -32.83631 15.685259 1 1607 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 93.36 9.960934 -32.057976 16.7425 1 1608 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 94.92 6.739691 -33.08641 17.979477 1 1609 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 94.53 6.4371834 -33.56594 19.33265 1 1610 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 95.31 7.6950383 -33.6764 20.18222 1 1611 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 94.14 7.8676977 -34.63205 20.942875 1 1612 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 94.14 5.7159004 -34.91707 19.293507 1 1613 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 91.02 4.2550764 -34.779068 18.936872 1 1614 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 87.5 3.6172028 -33.782223 19.272429 1 1615 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 86.33 3.7130725 -35.784737 18.261242 1 1616 +ATOM N N . THR A0 1 214 . 214 THR A0 N 95.7 8.598929 -32.697113 20.041607 1 1617 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 95.7 9.848369 -32.679832 20.788633 1 1618 +ATOM C C . THR A0 1 214 . 214 THR A0 C 96.09 9.7658825 -31.685146 21.942135 1 1619 +ATOM O O . THR A0 1 214 . 214 THR A0 O 95.31 9.470022 -30.510437 21.732227 1 1620 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 94.92 11.03635 -32.301105 19.885689 1 1621 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 93.36 11.122179 -33.22422 18.80266 1 1622 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 92.19 12.342138 -32.310913 20.666752 1 1623 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 96.48 10.008935 -32.178337 23.135021 1 1624 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 95.7 10.070707 -31.344881 24.330717 1 1625 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 96.09 11.402336 -31.605434 25.012941 1 1626 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 94.92 11.744751 -32.753815 25.290396 1 1627 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 94.92 8.916922 -31.648144 25.290539 1 1628 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 90.23 7.5540695 -31.253946 24.755787 1 1629 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 87.11 6.4639397 -31.543215 25.784533 1 1630 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 82.42 5.0920362 -31.160215 25.24039 1 1631 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 78.12 4.0171757 -31.45974 26.218998 1 1632 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 96.48 12.14587 -30.531294 25.268726 1 1633 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 96.48 13.4599285 -30.658009 25.891941 1 1634 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 96.88 13.585482 -29.665552 27.041397 1 1635 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 96.48 13.243954 -28.483925 26.883142 1 1636 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 96.09 14.599836 -30.39872 24.877008 1 1637 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 94.14 15.971204 -30.474426 25.569632 1 1638 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 93.75 14.523254 -31.384863 23.72511 1 1639 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 96.48 14.053384 -30.128521 28.168222 1 1640 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 96.48 14.39333 -29.279945 29.304237 1 1641 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 96.48 15.902884 -29.359596 29.471659 1 1642 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 95.7 16.439295 -30.42614 29.761356 1 1643 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 96.09 13.699251 -29.755245 30.588394 1 1644 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 94.92 12.190993 -29.6011 30.516571 1 1645 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 92.97 11.47966 -30.463846 31.075272 1 1646 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 92.58 11.71313 -28.617039 29.915302 1 1647 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 96.88 16.58248 -28.248537 29.244678 1 1648 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 96.88 18.035976 -28.236706 29.319458 1 1649 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 96.88 18.521992 -27.34858 30.447693 1 1650 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 96.48 18.267727 -26.135271 30.456099 1 1651 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 96.48 18.63291 -27.750338 27.990042 1 1652 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 94.14 20.157326 -27.681213 27.963785 1 1653 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 92.58 20.824291 -29.043339 28.105856 1 1654 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 89.84 20.538628 -29.957405 26.941637 1 1655 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 87.5 21.299696 -31.220076 27.065845 1 1656 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 96.48 19.230589 -27.951853 31.387293 1 1657 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 96.09 19.800415 -27.200197 32.500744 1 1658 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 96.09 21.082165 -26.529991 32.027225 1 1659 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 95.31 21.92709 -27.17133 31.390926 1 1660 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 95.31 20.09147 -28.11352 33.691116 1 1661 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 89.84 20.586792 -27.364868 34.924744 1 1662 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 86.33 20.5858 -28.266766 36.134727 1 1663 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 81.64 21.028805 -27.559216 37.340187 1 1664 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 78.12 20.943167 -28.035688 38.559494 1 1665 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 75.78 20.441158 -29.240057 38.77054 1 1666 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 76.17 21.35984 -27.319605 39.593388 1 1667 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 95.31 21.217876 -25.238665 32.31259 1 1668 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 94.92 22.401157 -24.488611 31.901978 1 1669 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 94.14 23.217924 -24.124708 33.135696 1 1670 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 92.97 22.744278 -23.40915 34.00694 1 1671 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 95.31 21.999283 -23.210777 31.126623 1 1672 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 94.14 21.089897 -23.562473 29.924805 1 1673 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 93.75 23.23779 -22.52898 30.552973 1 1674 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 92.19 24.442524 -24.654278 33.19037 1 1675 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 91.41 25.321592 -24.450485 34.334465 1 1676 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 91.41 26.68055 -23.924103 33.876007 1 1677 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 89.45 27.073687 -24.128817 32.724968 1 1678 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 89.84 25.521528 -25.75701 35.10521 1 1679 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 85.55 24.233742 -26.372255 35.6137 1 1680 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 83.59 24.459816 -27.672962 36.3487 1 1681 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 79.69 23.855877 -27.860027 37.422962 1 1682 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 79.3 25.250639 -28.502388 35.86219 1 1683 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 88.67 27.427761 -23.258348 34.787415 1 1684 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 87.5 28.769718 -22.788385 34.43163 1 1685 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 86.72 29.663807 -23.973408 34.078163 1 1686 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 83.98 29.549541 -25.049932 34.677444 1 1687 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 85.94 29.25438 -22.081234 35.708572 1 1688 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 83.59 27.996456 -21.697605 36.430695 1 1689 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 83.98 27.034672 -22.812572 36.133278 1 1690 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 82.03 30.574749 -23.786037 33.107674 1 1691 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 80.08 31.474762 -24.857014 32.702995 1 1692 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 79.3 32.524178 -25.126776 33.786102 1 1693 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 75.0 32.87829 -24.221392 34.54576 1 1694 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 76.56 32.188343 -24.486444 31.395428 1 1695 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 72.27 31.296638 -24.592983 30.170933 1 1696 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 68.36 32.134705 -24.418156 28.900993 1 1697 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 65.62 31.253181 -24.587103 27.671543 1 1698 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 63.67 32.02784 -24.459785 26.438385 1 1699 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 64.06 32.980686 -26.268368 33.912155 1 1700 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 85.55 4.687754 3.8619933 -9.724545 1 1701 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 91.02 5.7479115 3.6594625 -8.745283 1 1702 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 93.75 5.6298404 4.685517 -7.6292686 1 1703 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 92.19 5.381342 5.866645 -7.885626 1 1704 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 85.55 7.113361 3.7455692 -9.434002 1 1705 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 79.69 8.275587 3.4298625 -8.523866 1 1706 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 76.17 9.60737 3.4800131 -9.257925 1 1707 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 71.09 9.8302 4.3647995 -10.073043 1 1708 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 69.14 10.494238 2.5401497 -8.960633 1 1709 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 94.92 5.7972164 4.234025 -6.3821764 1 1710 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 95.31 5.7042255 5.1071453 -5.219263 1 1711 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 95.31 7.007851 5.1109705 -4.440342 1 1712 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 94.53 7.561599 4.0541058 -4.1502495 1 1713 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 94.92 4.5721264 4.6613503 -4.295131 1 1714 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 94.14 3.1436903 4.6816196 -4.849824 1 1715 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 92.58 2.183534 4.1065483 -3.8160865 1 1716 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 92.19 2.7343335 6.0874796 -5.2340727 1 1717 +ATOM N N . THR B0 2 3 . 3 THR B0 N 96.09 7.4818773 6.299358 -4.092085 1 1718 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 96.09 8.67619 6.4534645 -3.2820609 1 1719 +ATOM C C . THR B0 2 3 . 3 THR B0 C 96.09 8.249834 6.9922266 -1.9140667 1 1720 +ATOM O O . THR B0 2 3 . 3 THR B0 O 96.09 7.7381954 8.107388 -1.8212566 1 1721 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 95.31 9.685221 7.4159036 -3.9313517 1 1722 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 91.8 10.059635 6.9149218 -5.2179337 1 1723 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 91.02 10.92628 7.5714693 -3.063852 1 1724 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 96.48 8.439837 6.185149 -0.88025844 1 1725 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 96.09 8.031316 6.537202 0.47007486 1 1726 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 95.7 9.248119 6.9411287 1.2929678 1 1727 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 94.53 10.305712 6.3051395 1.2056563 1 1728 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 95.7 7.3105345 5.346902 1.1056614 1 1729 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 95.31 6.5115185 5.6952477 2.343622 1 1730 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 96.09 5.621524 4.550117 2.7880611 1 1731 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 93.36 5.189015 3.7343621 1.9790877 1 1732 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 92.97 5.3382874 4.4858494 4.086991 1 1733 +ATOM N N . SER B0 2 5 . 5 SER B0 N 95.7 9.119923 8.013977 2.0665753 1 1734 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 95.31 10.240416 8.481018 2.8690114 1 1735 +ATOM C C . SER B0 2 5 . 5 SER B0 C 95.7 9.759272 9.052019 4.201805 1 1736 +ATOM O O . SER B0 2 5 . 5 SER B0 O 94.53 8.660273 9.6064415 4.266474 1 1737 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 94.14 11.049828 9.542116 2.1034994 1 1738 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 90.62 10.267319 10.684397 1.8585377 1 1739 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 93.75 10.551385 8.921856 5.250453 1 1740 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 93.75 11.785574 8.127551 5.2803345 1 1741 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 93.75 11.473317 6.641618 5.396639 1 1742 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 93.36 10.322567 6.2670383 5.642962 1 1743 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 92.97 12.482555 8.644606 6.552531 1 1744 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 91.41 11.350165 8.970897 7.466108 1 1745 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 91.41 10.265963 9.537004 6.571891 1 1746 +ATOM N N . SER B0 2 7 . 7 SER B0 N 92.58 12.48321 5.8034983 5.1824236 1 1747 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 92.19 12.276254 4.3616943 5.322164 1 1748 +ATOM C C . SER B0 2 7 . 7 SER B0 C 92.97 12.048529 3.988814 6.7825923 1 1749 +ATOM O O . SER B0 2 7 . 7 SER B0 O 92.19 11.363159 2.9993792 7.0737686 1 1750 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 91.02 13.469704 3.5924911 4.757643 1 1751 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 88.67 14.661663 3.9091644 5.43147 1 1752 +ATOM N N . SER B0 2 8 . 8 SER B0 N 92.58 12.595608 4.7772436 7.6848345 1 1753 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 91.8 12.386715 4.578425 9.114073 1 1754 +ATOM C C . SER B0 2 8 . 8 SER B0 C 92.19 12.586685 5.8952913 9.8349285 1 1755 +ATOM O O . SER B0 2 8 . 8 SER B0 O 91.8 13.263849 6.796559 9.333927 1 1756 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 89.84 13.337539 3.5135052 9.680622 1 1757 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 87.11 14.682819 3.9313884 9.621159 1 1758 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 93.75 11.975294 6.017379 11.001513 1 1759 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 93.36 12.136462 7.2136936 11.8107605 1 1760 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 93.36 11.918303 6.86123 13.272442 1 1761 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 92.58 11.23002 5.8945837 13.591598 1 1762 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 92.19 11.178671 8.331806 11.366672 1 1763 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 90.23 9.677594 8.107889 11.523407 1 1764 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 87.89 8.910894 8.880993 10.444151 1 1765 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 87.11 9.196907 8.543049 12.92145 1 1766 +ATOM N N . SER B0 2 10 . 10 SER B0 N 92.97 12.526142 7.6451926 14.161631 1 1767 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 92.97 12.36518 7.4703293 15.598476 1 1768 +ATOM C C . SER B0 2 10 . 10 SER B0 C 93.36 11.644892 8.687082 16.153751 1 1769 +ATOM O O . SER B0 2 10 . 10 SER B0 O 92.58 11.952786 9.8240385 15.781651 1 1770 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 92.19 13.722473 7.3013124 16.27856 1 1771 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 89.45 14.4059925 6.1668577 15.7887535 1 1772 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 94.14 10.678028 8.450199 17.014755 1 1773 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 93.75 9.903457 9.543295 17.596577 1 1774 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 93.75 9.446737 9.17023 18.997894 1 1775 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 92.58 9.487404 8.009639 19.389652 1 1776 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 93.36 8.701156 9.874791 16.71825 1 1777 +ATOM N N . SER B0 2 12 . 12 SER B0 N 92.58 9.01387 10.1847925 19.755407 1 1778 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 92.19 8.531456 9.9859705 21.11063 1 1779 +ATOM C C . SER B0 2 12 . 12 SER B0 C 92.58 7.0190225 10.176564 21.16145 1 1780 +ATOM O O . SER B0 2 12 . 12 SER B0 O 92.58 6.43295 10.827961 20.29226 1 1781 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 91.41 9.211918 10.964831 22.073055 1 1782 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 89.06 10.622492 10.817114 22.057926 1 1783 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 92.19 6.3967876 9.603876 22.185795 1 1784 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 92.19 4.9615297 9.769949 22.380325 1 1785 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 92.58 4.6577034 11.266243 22.488049 1 1786 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 92.58 5.3538685 11.99736 23.1864 1 1787 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 91.02 4.4827604 9.030451 23.648438 1 1788 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 89.45 3.0404148 9.39982 23.98343 1 1789 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 89.06 4.6317787 7.526872 23.465979 1 1790 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 94.14 3.6275935 11.715544 21.769238 1 1791 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 94.14 3.258943 13.118425 21.75964 1 1792 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 94.14 3.8213744 13.898821 20.584543 1 1793 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 93.75 3.3649206 15.011246 20.303837 1 1794 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 94.92 4.8206606 13.334705 19.870697 1 1795 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 95.31 5.4341297 14.009015 18.729221 1 1796 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 95.31 4.4876513 14.052349 17.533236 1 1797 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 94.92 3.604436 13.196911 17.384754 1 1798 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 94.92 6.722167 13.296757 18.304165 1 1799 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 93.75 7.901079 13.573202 19.219063 1 1800 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 92.19 7.7562456 14.385677 20.15435 1 1801 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 91.02 8.971465 12.972658 18.98928 1 1802 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 96.09 4.6965046 15.022039 16.660645 1 1803 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 96.09 4.0254054 15.077925 15.364498 1 1804 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 96.09 4.9028435 14.329283 14.373283 1 1805 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 95.7 6.087824 14.641336 14.235004 1 1806 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 95.7 3.8179708 16.530182 14.910084 1 1807 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 92.58 3.2815135 16.634804 13.474021 1 1808 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 91.02 3.1861548 18.07954 13.009661 1 1809 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 87.89 2.1583993 18.818693 13.741524 1 1810 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 86.72 0.90818954 18.973282 13.344344 1 1811 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 83.98 0.054887906 19.634987 14.086472 1 1812 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 84.77 0.52196884 18.446266 12.18391 1 1813 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 96.48 4.3048306 13.359627 13.696871 1 1814 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 96.09 5.0399013 12.533972 12.742031 1 1815 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 96.88 4.480458 12.755969 11.342087 1 1816 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 96.48 3.2592082 12.72941 11.147694 1 1817 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 95.31 4.954588 11.038717 13.12112 1 1818 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 92.58 5.5285525 10.16213 12.015492 1 1819 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 91.41 5.688678 10.790291 14.431208 1 1820 +ATOM N N . THR B0 2 18 . 18 THR B0 N 96.88 5.368988 12.974607 10.359894 1 1821 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 96.48 4.9629087 13.168282 8.97777 1 1822 +ATOM C C . THR B0 2 18 . 18 THR B0 C 96.88 5.698587 12.174134 8.082338 1 1823 +ATOM O O . THR B0 2 18 . 18 THR B0 O 96.09 6.923624 12.080473 8.12606 1 1824 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 96.09 5.2491508 14.605543 8.508572 1 1825 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 92.19 4.5262012 15.532024 9.316544 1 1826 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 91.41 4.847921 14.79331 7.048483 1 1827 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 97.27 4.927723 11.425034 7.2888274 1 1828 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 96.88 5.470661 10.454195 6.3460197 1 1829 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 97.27 5.0829635 10.912218 4.944159 1 1830 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 97.27 3.9449968 11.323326 4.719152 1 1831 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 97.27 4.911538 9.04094 6.626437 1 1832 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 95.7 5.3398957 8.581319 8.025274 1 1833 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 96.09 5.382126 8.049252 5.5628285 1 1834 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 92.97 4.6105 7.339243 8.518517 1 1835 +ATOM N N . THR B0 2 20 . 20 THR B0 N 96.88 6.0281134 10.849585 4.0034275 1 1836 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 96.88 5.8070736 11.331637 2.6483834 1 1837 +ATOM C C . THR B0 2 20 . 20 THR B0 C 96.88 5.753629 10.186558 1.6393623 1 1838 +ATOM O O . THR B0 2 20 . 20 THR B0 O 96.88 6.4747195 9.195269 1.7730068 1 1839 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 96.09 6.9071655 12.327939 2.2341266 1 1840 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 91.41 6.934537 13.4207115 3.155202 1 1841 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 90.23 6.6914635 12.863646 0.8206776 1 1842 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 96.88 4.877535 10.321128 0.642989 1 1843 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 96.88 4.7514067 9.355862 -0.44267815 1 1844 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 96.88 4.725336 10.130014 -1.7572217 1 1845 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 96.48 3.8632622 10.980209 -1.9552581 1 1846 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 96.48 3.472315 8.538794 -0.2817177 1 1847 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 94.92 3.194241 7.2919397 -1.5324569 1 1848 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 96.48 5.691946 9.866426 -2.659456 1 1849 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 96.09 5.7724757 10.55214 -3.9410253 1 1850 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 96.48 5.5247536 9.570255 -5.0774393 1 1851 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 95.7 6.166278 8.525566 -5.165761 1 1852 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 95.7 7.139677 11.220013 -4.1128263 1 1853 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 91.41 7.31036 11.872904 -5.4797673 1 1854 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 88.28 8.499607 12.806124 -5.486844 1 1855 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 83.98 8.240353 13.991158 -4.6783495 1 1856 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 80.86 9.128129 14.959348 -4.4574676 1 1857 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 78.12 10.333039 14.885336 -5.0004845 1 1858 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 78.52 8.810503 15.998016 -3.7055526 1 1859 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 95.31 4.565933 9.913622 -5.941101 1 1860 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 94.92 4.231059 9.090551 -7.0979314 1 1861 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 94.92 5.0674987 9.5232 -8.306727 1 1862 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 94.53 5.3906345 10.698199 -8.457981 1 1863 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 94.53 2.7449424 9.206486 -7.424517 1 1864 +ATOM N N . SER B0 2 24 . 24 SER B0 N 93.75 5.428007 8.566526 -9.170685 1 1865 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 93.36 6.2392178 8.85758 -10.353626 1 1866 +ATOM C C . SER B0 2 24 . 24 SER B0 C 92.97 5.4565477 9.59713 -11.429836 1 1867 +ATOM O O . SER B0 2 24 . 24 SER B0 O 91.41 6.054188 10.14661 -12.359329 1 1868 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 92.97 6.820375 7.5634346 -10.929908 1 1869 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 91.41 5.7985992 6.6656866 -11.315387 1 1870 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 91.41 4.1373854 9.604216 -11.326738 1 1871 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 91.02 3.2741852 10.351519 -12.232506 1 1872 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 92.19 2.0090365 10.76445 -11.488264 1 1873 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 91.8 1.7396884 10.269016 -10.392118 1 1874 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 89.06 2.9190607 9.520447 -13.468047 1 1875 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 85.16 2.1851265 8.22053 -13.16767 1 1876 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 81.64 1.8854439 7.4269247 -14.423636 1 1877 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 78.12 0.73317784 7.13518 -14.7145195 1 1878 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 75.78 2.9199305 7.0979238 -15.18535 1 1879 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 91.02 1.2354555 11.677692 -12.071294 1 1880 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 90.23 0.029599465 12.197651 -11.439882 1 1881 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 90.23 -0.9889408 11.07612 -11.230635 1 1882 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 89.45 -1.4236641 10.446732 -12.188969 1 1883 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 89.84 -0.58318806 13.31023 -12.298662 1 1884 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 88.67 -1.6197627 14.1368265 -11.554363 1 1885 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 87.11 -2.3284256 13.5893345 -10.691582 1 1886 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 85.94 -1.7322855 15.35294 -11.846823 1 1887 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 92.58 -1.3449981 10.816476 -9.967283 1 1888 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 92.58 -2.3284004 9.7800255 -9.64176 1 1889 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 91.8 -3.5977416 10.398563 -9.063807 1 1890 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 90.23 -4.4168134 9.683554 -8.463968 1 1891 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 92.19 -1.762243 8.7290945 -8.662304 1 1892 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 91.41 -1.3709455 9.37399 -7.33692 1 1893 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 90.23 -0.56221783 8.022287 -9.301592 1 1894 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 89.84 -0.99806905 8.3614 -6.2488904 1 1895 +ATOM N N . SER B0 2 28 . 28 SER B0 N 90.23 -3.7817779 11.710895 -9.253011 1 1896 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 89.06 -4.9613194 12.428318 -8.777504 1 1897 +ATOM C C . SER B0 2 28 . 28 SER B0 C 90.23 -5.168968 12.192108 -7.2795134 1 1898 +ATOM O O . SER B0 2 28 . 28 SER B0 O 89.06 -4.287944 12.511047 -6.4835243 1 1899 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 87.11 -6.194821 12.011984 -9.575045 1 1900 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 83.59 -7.3105984 12.815289 -9.252479 1 1901 +ATOM N N . SER B0 2 29 . 29 SER B0 N 90.62 -6.2721653 11.5922985 -6.8842998 1 1902 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 90.23 -6.5508738 11.311537 -5.477418 1 1903 +ATOM C C . SER B0 2 29 . 29 SER B0 C 91.41 -6.575793 9.811886 -5.1780996 1 1904 +ATOM O O . SER B0 2 29 . 29 SER B0 O 90.23 -7.126745 9.385673 -4.155856 1 1905 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 88.28 -7.8939304 11.949272 -5.0768223 1 1906 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 85.55 -8.95573 11.434076 -5.8538527 1 1907 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 92.97 -5.9698157 8.983968 -6.052529 1 1908 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 93.36 -5.987259 7.5304904 -5.9065228 1 1909 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 94.53 -4.870907 7.0477705 -4.9839315 1 1910 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 94.14 -3.9867215 6.2906575 -5.3892584 1 1911 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 91.8 -5.87362 6.865139 -7.2730703 1 1912 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 95.7 -4.909187 7.4731245 -3.7102897 1 1913 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 96.48 -3.8877463 7.088649 -2.7491832 1 1914 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 95.7 -4.518035 6.723284 -1.4102094 1 1915 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 95.31 -5.426114 7.4113073 -0.9376147 1 1916 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 96.48 -2.8639812 8.208626 -2.5402136 1 1917 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 96.09 -1.6291605 7.743007 -1.7446289 1 1918 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 94.92 -1.3773603 8.619091 -0.5432577 1 1919 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 94.53 -0.42218426 7.5766 -2.6139336 1 1920 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 96.88 -4.0192122 5.640654 -0.8121301 1 1921 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 96.88 -4.4823003 5.1827564 0.4941391 1 1922 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 97.27 -3.2816107 4.963174 1.4099851 1 1923 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 97.27 -2.1551354 4.78906 0.9441198 1 1924 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 96.88 -5.28331 3.8851285 0.35737625 1 1925 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 97.66 -3.5376859 4.9704194 2.7218 1 1926 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 97.66 -2.5166764 4.7332954 3.730292 1 1927 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 97.66 -2.9386823 3.5811493 4.6333647 1 1928 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 97.66 -4.1058536 3.4949055 5.0428267 1 1929 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 98.05 -2.287702 5.981633 4.593685 1 1930 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 97.66 -1.6168762 7.1207843 3.894653 1 1931 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 96.88 -2.2190661 8.20211 3.325553 1 1932 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 97.66 -0.20802201 7.309144 3.716576 1 1933 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 96.88 -1.2725317 9.055033 2.811121 1 1934 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 97.27 -0.031590816 8.528646 3.024651 1 1935 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 97.27 0.9182273 6.5587425 4.0687013 1 1936 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 97.27 1.2315208 9.023473 2.68535 1 1937 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 96.88 2.176138 7.0439196 3.7278616 1 1938 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 96.88 2.317917 8.264476 3.0404315 1 1939 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 98.05 -1.9530499 2.7072291 4.9760003 1 1940 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 98.05 -2.193474 1.5468545 5.8257804 1 1941 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 97.66 -1.2045884 1.4995921 6.9801006 1 1942 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 97.66 -0.073699355 1.9760981 6.871139 1 1943 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 98.05 -2.0540905 0.2408269 5.029349 1 1944 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 97.66 -2.978652 0.14517206 3.84514 1 1945 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 96.09 -2.601784 0.6594791 2.607955 1 1946 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 95.7 -4.226145 -0.45051354 3.9518127 1 1947 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 96.09 -3.4463959 0.58769184 1.5149424 1 1948 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 95.7 -5.0807285 -0.530966 2.8631089 1 1949 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 96.88 -4.684745 -0.011311252 1.6480707 1 1950 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 96.88 -5.5216646 -0.07903196 0.5709346 1 1951 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 98.05 -1.641099 0.87262547 8.0638485 1 1952 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 97.66 -0.792923 0.64096797 9.230702 1 1953 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 98.05 -0.6563027 -0.86585736 9.422982 1 1954 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 97.66 -1.6497641 -1.5915685 9.33013 1 1955 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 97.66 -1.4205456 1.2600645 10.48278 1 1956 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 96.48 -0.6393591 1.003933 11.774359 1 1957 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 97.27 -1.4534817 1.3409376 13.010923 1 1958 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 91.02 -2.4113894 0.64545536 13.343236 1 1959 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 89.45 -1.0896599 2.4332638 13.687971 1 1960 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 96.88 0.57824343 -1.3402569 9.653357 1 1961 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 96.88 0.77495813 -2.7642224 9.904758 1 1962 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 96.88 1.6544548 -2.9854863 11.127294 1 1963 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 96.09 2.7265449 -2.3904402 11.238319 1 1964 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 96.88 1.3935218 -3.4687116 8.693729 1 1965 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 96.88 1.4631324 -4.9813194 8.896962 1 1966 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 96.88 2.1004279 -5.7124243 7.736867 1 1967 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 92.19 3.0788155 -5.2506437 7.1546936 1 1968 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 91.41 1.5391908 -6.873345 7.3892117 1 1969 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 94.53 1.1883185 -3.8321257 12.021786 1 1970 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 94.14 1.9421341 -4.2179213 13.20842 1 1971 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 94.14 2.4341002 -5.6488543 13.039448 1 1972 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 93.36 1.8400097 -6.4262333 12.2888565 1 1973 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 93.75 1.0674546 -4.0757813 14.455067 1 1974 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 92.19 0.6636492 -2.6376128 14.728737 1 1975 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 90.62 -0.13579899 -2.5061374 16.011227 1 1976 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 89.06 -0.46826032 -1.0450103 16.264347 1 1977 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 86.33 -1.2443289 -0.8629793 17.511295 1 1978 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 91.02 3.5510113 -6.0172586 13.723712 1 1979 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 89.84 4.1155987 -7.3584805 13.5489645 1 1980 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 90.23 3.0955927 -8.46814 13.770348 1 1981 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 89.06 2.3505445 -8.459342 14.7528305 1 1982 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 88.28 5.2233443 -7.413201 14.604674 1 1983 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 86.72 5.653311 -5.9843516 14.750059 1 1984 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 88.28 4.3734875 -5.19046 14.638336 1 1985 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 91.02 3.0384154 -9.412857 12.822588 1 1986 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 90.23 2.1367073 -10.545729 12.915769 1 1987 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 91.41 0.6867968 -10.243061 12.589324 1 1988 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 90.23 -0.16488 -11.122631 12.72654 1 1989 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 96.09 0.40097767 -9.007809 12.147745 1 1990 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 95.7 -0.97131896 -8.606482 11.844266 1 1991 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 96.48 -1.1219587 -8.200987 10.381731 1 1992 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 95.7 -0.14296784 -7.833365 9.715761 1 1993 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 94.92 -1.3966783 -7.427731 12.73325 1 1994 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 91.02 -1.299537 -7.6833067 14.221548 1 1995 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 87.5 -2.3797379 -8.653471 14.694031 1 1996 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 83.59 -2.3584995 -8.787152 16.215244 1 1997 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 78.52 -3.3832557 -9.726017 16.68699 1 1998 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 96.48 -2.350661 -8.273393 9.88065 1 1999 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 96.88 -2.6479921 -7.803344 8.537363 1 2000 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 96.88 -2.6478567 -6.2777324 8.532591 1 2001 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 96.88 -2.8554423 -5.652424 9.571531 1 2002 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 96.88 -4.0121875 -8.314465 8.088467 1 2003 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 97.66 -2.406104 -5.6596107 7.3753843 1 2004 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 98.05 -2.4752827 -4.1946464 7.30777 1 2005 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 98.05 -3.8792527 -3.7019649 7.6468477 1 2006 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 97.66 -4.867958 -4.4214625 7.4509335 1 2007 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 97.66 -2.1174133 -3.8893085 5.8457823 1 2008 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 96.48 -1.2881441 -5.063608 5.418806 1 2009 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 97.27 -1.9218098 -6.2425923 6.116187 1 2010 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 98.05 -3.9551034 -2.4807591 8.165247 1 2011 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 98.05 -5.222019 -1.8534939 8.529179 1 2012 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 98.05 -5.349022 -0.53426456 7.778022 1 2013 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 98.05 -4.433839 0.2917031 7.8139267 1 2014 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 97.27 -5.2708635 -1.6146824 10.042343 1 2015 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 92.97 -6.452575 -0.7936054 10.517342 1 2016 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 91.02 -6.2957582 -0.44282028 11.988842 1 2017 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 85.55 -7.398158 0.49084637 12.456987 1 2018 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 81.64 -7.2147837 0.8976507 13.873042 1 2019 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 97.27 -6.4813585 -0.33812475 7.0816436 1 2020 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 97.27 -6.7076178 0.8972824 6.3397017 1 2021 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 97.27 -6.8727727 2.0812364 7.290331 1 2022 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 97.27 -7.6435156 2.0173993 8.247913 1 2023 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 97.27 -7.9553914 0.7742524 5.4585977 1 2024 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 96.48 -8.345524 2.0212011 4.6543083 1 2025 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 94.92 -9.727272 1.8329437 4.037517 1 2026 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 94.92 -7.3069324 2.3246686 3.5864801 1 2027 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 97.66 -6.1362343 3.1617332 7.035866 1 2028 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 97.66 -6.233218 4.3775663 7.830509 1 2029 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 97.66 -6.9233236 5.489703 7.046631 1 2030 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 97.27 -7.871369 6.108679 7.5339355 1 2031 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 97.66 -4.8389654 4.8797445 8.239166 1 2032 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 97.27 -3.9646053 3.9738188 9.0999565 1 2033 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 96.09 -2.5792441 4.6117706 9.253364 1 2034 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 95.31 -4.6040144 3.7477431 10.459646 1 2035 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 97.27 -6.4229317 5.751423 5.845911 1 2036 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 97.27 -6.864924 6.859127 5.0001144 1 2037 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 96.48 -7.083529 6.3486013 3.5766673 1 2038 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 96.48 -6.2946353 5.5377226 3.0787206 1 2039 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 97.27 -5.8148212 7.9978657 4.9679217 1 2040 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 96.48 -5.5440245 8.547842 6.367628 1 2041 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 97.27 -6.2165937 9.097507 3.9981446 1 2042 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 93.36 -6.6323442 9.430275 6.9248414 1 2043 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 95.7 -8.155119 6.8130794 2.906213 1 2044 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 95.31 -8.353821 6.513975 1.4982913 1 2045 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 95.31 -8.704456 7.797181 0.75698096 1 2046 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 94.92 -9.095123 8.800121 1.36871 1 2047 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 94.53 -9.443693 5.443942 1.2983046 1 2048 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 93.75 -10.82373 5.8346906 1.7995566 1 2049 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 92.97 -11.216354 5.54483 3.1039937 1 2050 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 92.19 -11.734065 6.4682837 0.96623933 1 2051 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 91.02 -12.477994 5.883527 3.565841 1 2052 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 91.02 -13.00067 6.806542 1.4180708 1 2053 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 91.41 -13.364739 6.5107765 2.7122164 1 2054 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 90.62 -14.616017 6.844352 3.165456 1 2055 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 93.75 -8.526516 7.7896566 -0.57040733 1 2056 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 93.36 -8.78236 8.960469 -1.4103779 1 2057 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 94.14 -8.074492 10.1988125 -0.8520991 1 2058 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 93.36 -8.641325 11.279356 -0.75808364 1 2059 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 92.19 -10.286383 9.212513 -1.5563662 1 2060 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 90.62 -10.993826 8.124796 -2.3441687 1 2061 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 88.67 -10.306421 7.269148 -2.9494412 1 2062 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 87.11 -12.237986 8.116821 -2.353594 1 2063 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 94.92 -6.794845 10.004108 -0.46425164 1 2064 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 94.92 -5.8748426 11.030073 0.023071289 1 2065 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 95.31 -6.1462755 11.489817 1.4615784 1 2066 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 94.53 -5.2460785 11.436972 2.294676 1 2067 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 94.53 -5.809993 12.273806 -0.90228426 1 2068 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 92.58 -4.822213 13.3008175 -0.369568 1 2069 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 91.8 -5.4280148 11.850405 -2.3237715 1 2070 +ATOM N N . SER B0 2 50 . 50 SER B0 N 94.14 -7.3974133 11.899313 1.7511868 1 2071 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 93.75 -7.6659117 12.516847 3.045562 1 2072 +ATOM C C . SER B0 2 50 . 50 SER B0 C 94.14 -8.878702 11.978051 3.7989051 1 2073 +ATOM O O . SER B0 2 50 . 50 SER B0 O 93.36 -9.1949005 12.490566 4.876833 1 2074 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 92.58 -7.821089 14.0375805 2.8754408 1 2075 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 91.02 -8.921891 14.338813 2.0288057 1 2076 +ATOM N N . SER B0 2 51 . 51 SER B0 N 93.36 -9.571583 10.956518 3.2569642 1 2077 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 93.36 -10.764484 10.431683 3.9177408 1 2078 +ATOM C C . SER B0 2 51 . 51 SER B0 C 94.53 -10.364578 9.450638 5.022398 1 2079 +ATOM O O . SER B0 2 51 . 51 SER B0 O 94.53 -9.716164 8.438683 4.7609777 1 2080 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 91.8 -11.679403 9.748136 2.9087822 1 2081 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 89.06 -12.163538 10.672534 1.9464092 1 2082 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 95.31 -10.765032 9.751329 6.263854 1 2083 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 95.31 -10.436709 8.917053 7.4140725 1 2084 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 94.92 -11.387928 7.72543 7.4778976 1 2085 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 94.14 -12.606262 7.9002175 7.471504 1 2086 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 95.31 -10.539644 9.74037 8.700099 1 2087 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 94.53 -9.965591 9.134693 9.982357 1 2088 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 93.75 -10.377395 9.958536 11.189314 1 2089 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 92.97 -8.450739 9.019007 9.884993 1 2090 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 95.7 -10.820591 6.5104446 7.523844 1 2091 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 95.31 -11.649138 5.309369 7.6137533 1 2092 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 95.31 -12.381943 5.280013 8.948186 1 2093 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 95.31 -11.8603 5.733164 9.974943 1 2094 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 94.53 -10.776886 4.0558224 7.4571977 1 2095 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 93.36 -11.513905 2.730851 7.67618 1 2096 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 92.58 -12.498505 2.3608263 6.5921836 1 2097 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 90.62 -13.034477 3.25571 5.8943615 1 2098 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 90.23 -12.764694 1.1586684 6.422018 1 2099 +ATOM N N . SER B0 2 54 . 54 SER B0 N 93.75 -13.595559 4.7513723 8.953226 1 2100 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 92.97 -14.414654 4.6641846 10.161414 1 2101 +ATOM C C . SER B0 2 54 . 54 SER B0 C 93.75 -13.657639 3.9271717 11.268856 1 2102 +ATOM O O . SER B0 2 54 . 54 SER B0 O 92.97 -13.077251 2.8654256 11.037093 1 2103 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 91.41 -15.727184 3.9446242 9.84661 1 2104 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 86.72 -16.535292 3.8184364 10.996916 1 2105 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 95.31 -13.675118 4.4938354 12.467178 1 2106 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 94.92 -13.022079 3.8890705 13.611376 1 2107 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 95.31 -11.573694 4.2887096 13.813526 1 2108 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 94.92 -10.9922905 3.9789915 14.858839 1 2109 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 96.48 -10.9730625 4.962711 12.826563 1 2110 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 96.48 -9.581997 5.3889885 12.938763 1 2111 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 96.09 -9.5201435 6.7085934 13.715519 1 2112 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 95.31 -10.3013935 7.6238284 13.442418 1 2113 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 96.88 -8.939895 5.5584445 11.547979 1 2114 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 96.09 -7.525046 6.105254 11.666338 1 2115 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 95.31 -8.940001 4.2175646 10.809181 1 2116 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 96.48 -8.607149 6.822378 14.714685 1 2117 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 96.48 -8.513098 8.047699 15.520851 1 2118 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 96.48 -8.244478 9.288727 14.668062 1 2119 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 96.48 -7.5283203 9.227175 13.663883 1 2120 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 96.09 -7.339787 7.7605042 16.468052 1 2121 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 95.31 -7.3091097 6.2704177 16.57537 1 2122 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 95.7 -7.678546 5.7843466 15.196686 1 2123 +ATOM N N . SER B0 2 58 . 58 SER B0 N 96.48 -8.800589 10.425353 15.098254 1 2124 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 95.7 -8.688833 11.674425 14.357806 1 2125 +ATOM C C . SER B0 2 58 . 58 SER B0 C 96.48 -7.2803364 12.263792 14.330207 1 2126 +ATOM O O . SER B0 2 58 . 58 SER B0 O 96.09 -7.0283017 13.221201 13.5871525 1 2127 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 94.53 -9.663769 12.716672 14.926037 1 2128 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 91.02 -9.386733 12.982993 16.286127 1 2129 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 96.88 -6.344178 11.7100525 15.126288 1 2130 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 96.48 -4.9748106 12.204458 15.080612 1 2131 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 96.88 -4.286731 11.839297 13.772795 1 2132 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 96.09 -3.237638 12.410469 13.448754 1 2133 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 96.09 -4.158148 11.711388 16.278164 1 2134 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 94.53 -3.9579601 10.211428 16.322615 1 2135 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 94.14 -3.1812706 9.833479 17.585024 1 2136 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 93.36 -3.0683782 8.376169 17.752502 1 2137 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 93.75 -3.998746 7.634 18.34656 1 2138 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 91.8 -5.119529 8.18993 18.818703 1 2139 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 92.19 -3.8160348 6.339297 18.447613 1 2140 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 97.27 -4.8735228 10.893192 12.992816 1 2141 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 97.27 -4.3543186 10.537388 11.676328 1 2142 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 96.88 -5.012122 11.424628 10.617947 1 2143 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 96.88 -6.2295623 11.606305 10.6256695 1 2144 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 97.27 -4.656497 9.073269 11.352377 1 2145 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 97.66 -3.8899193 8.089384 12.183956 1 2146 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 95.31 -4.4484944 7.562953 13.342728 1 2147 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 94.92 -2.6184707 7.685423 11.813431 1 2148 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 94.92 -3.7454119 6.648672 14.114411 1 2149 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 95.31 -1.9122155 6.7687984 12.58164 1 2150 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 96.48 -2.4776387 6.247513 13.730955 1 2151 +ATOM N N . SER B0 2 61 . 61 SER B0 N 97.66 -4.210807 11.957266 9.710262 1 2152 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 97.27 -4.7483563 12.760569 8.619158 1 2153 +ATOM C C . SER B0 2 61 . 61 SER B0 C 97.66 -3.8662188 12.612188 7.3831034 1 2154 +ATOM O O . SER B0 2 61 . 61 SER B0 O 97.27 -2.6720607 12.335472 7.494336 1 2155 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 96.48 -4.8642306 14.240133 9.004556 1 2156 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 93.75 -3.5901785 14.811925 9.2302 1 2157 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 96.48 -4.4717226 12.744507 6.214451 1 2158 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 96.48 -3.7450285 12.664907 4.9591923 1 2159 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 96.09 -3.9659715 13.918575 4.1325617 1 2160 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 95.7 -5.014306 14.562399 4.229792 1 2161 +ATOM N N . SER B0 2 63 . 63 SER B0 N 96.48 -2.9820266 14.270569 3.318489 1 2162 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 96.48 -3.0880709 15.442074 2.461079 1 2163 +ATOM C C . SER B0 2 63 . 63 SER B0 C 96.48 -2.235332 15.240974 1.2133757 1 2164 +ATOM O O . SER B0 2 63 . 63 SER B0 O 95.7 -1.4508822 14.293906 1.1340659 1 2165 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 96.09 -2.6577895 16.714813 3.195215 1 2166 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 92.97 -1.2891222 16.667656 3.5361676 1 2167 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 95.31 -2.4065633 16.145262 0.24628069 1 2168 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 94.92 -1.6249759 16.087841 -0.97381794 1 2169 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 94.53 -2.5003333 15.963863 -2.2055705 1 2170 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 93.36 -3.714172 15.795285 -2.114668 1 2171 +ATOM N N . SER B0 2 65 . 65 SER B0 N 93.36 -1.8708994 16.054304 -3.365838 1 2172 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 92.97 -2.5541468 15.903081 -4.641923 1 2173 +ATOM C C . SER B0 2 65 . 65 SER B0 C 93.36 -1.5250819 15.655411 -5.7319098 1 2174 +ATOM O O . SER B0 2 65 . 65 SER B0 O 92.19 -0.35345483 15.994896 -5.581603 1 2175 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 91.8 -3.3859181 17.147316 -4.986354 1 2176 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 88.28 -2.5507085 18.276913 -5.1931067 1 2177 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 92.97 -1.9747626 15.031488 -6.830964 1 2178 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 92.97 -1.0980465 14.824851 -7.96854 1 2179 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 93.36 -0.023167787 13.784545 -7.727124 1 2180 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 92.97 -0.25208133 12.588162 -7.9257956 1 2181 +ATOM N N . THR B0 2 67 . 67 THR B0 N 95.31 1.1561528 14.230465 -7.285864 1 2182 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 95.31 2.28407 13.336647 -7.081359 1 2183 +ATOM C C . THR B0 2 67 . 67 THR B0 C 95.7 2.8298087 13.325141 -5.657713 1 2184 +ATOM O O . THR B0 2 67 . 67 THR B0 O 95.31 3.573289 12.405195 -5.3017187 1 2185 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 94.92 3.445747 13.6713085 -8.037226 1 2186 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 92.58 3.8780036 15.0142975 -7.8120203 1 2187 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 91.8 3.0313625 13.51339 -9.496595 1 2188 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 95.7 2.4982734 14.329315 -4.8357086 1 2189 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 95.7 3.060655 14.440286 -3.4988277 1 2190 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 96.09 1.9882406 14.308797 -2.418189 1 2191 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 95.7 1.0247259 15.068821 -2.4032931 1 2192 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 94.92 3.806068 15.778222 -3.3360035 1 2193 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 91.41 5.0264425 15.875385 -4.2391853 1 2194 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 88.67 5.2368326 16.955425 -4.833223 1 2195 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 87.89 5.765414 14.875473 -4.3579755 1 2196 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 96.48 2.1818695 13.339579 -1.5248514 1 2197 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 97.27 1.1972284 13.04692 -0.48431304 1 2198 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 96.88 1.873992 12.884401 0.87168944 1 2199 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 96.48 3.0374742 12.497286 0.94851756 1 2200 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 96.48 0.4198531 11.768686 -0.83616954 1 2201 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 96.09 -0.22340935 11.822908 -2.1873326 1 2202 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 94.53 0.4700983 11.414561 -3.3227558 1 2203 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 94.14 -1.515988 12.310516 -2.3345203 1 2204 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 93.36 -0.11352801 11.492112 -4.575392 1 2205 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 93.36 -2.1043344 12.389739 -3.5849943 1 2206 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 94.14 -1.4008931 11.974739 -4.7098284 1 2207 +ATOM N N . THR B0 2 70 . 70 THR B0 N 97.27 1.118998 13.175148 1.9445372 1 2208 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 96.88 1.6607242 13.029078 3.2836256 1 2209 +ATOM C C . THR B0 2 70 . 70 THR B0 C 97.27 0.6378486 12.397819 4.224891 1 2210 +ATOM O O . THR B0 2 70 . 70 THR B0 O 97.27 -0.56925917 12.623132 4.0888553 1 2211 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 96.88 2.11412 14.373058 3.8926888 1 2212 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 92.19 0.98761094 15.245608 4.007763 1 2213 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 91.8 3.1956992 15.030641 3.0567763 1 2214 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 97.27 1.1445107 11.597981 5.160132 1 2215 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 97.27 0.36470407 11.072239 6.2729993 1 2216 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 97.27 0.90675414 11.748119 7.519307 1 2217 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 96.88 2.1242387 11.777292 7.7285585 1 2218 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 97.66 0.52200496 9.555096 6.4056516 1 2219 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 96.88 -0.13367194 8.923523 7.6507444 1 2220 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 95.7 0.365142 7.499257 7.8534975 1 2221 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 95.7 -1.6492715 8.96047 7.5512505 1 2222 +ATOM N N . THR B0 2 72 . 72 THR B0 N 97.27 0.019577619 12.31876 8.329321 1 2223 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 97.66 0.4416266 12.997721 9.543762 1 2224 +ATOM C C . THR B0 2 72 . 72 THR B0 C 97.27 -0.23800936 12.37752 10.765266 1 2225 +ATOM O O . THR B0 2 72 . 72 THR B0 O 97.27 -1.4406422 12.117351 10.743703 1 2226 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 96.88 0.107649796 14.505255 9.488728 1 2227 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 93.75 0.80216837 15.107228 8.39566 1 2228 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 93.75 0.51070714 15.207919 10.781923 1 2229 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 96.88 0.55343556 12.10488 11.797645 1 2230 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 96.88 0.023875529 11.6998825 13.096616 1 2231 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 96.48 0.31442285 12.889195 14.005855 1 2232 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 96.09 1.4764802 13.163887 14.31702 1 2233 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 96.88 0.704227 10.420212 13.6367035 1 2234 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 95.7 0.7321725 9.3329315 12.555468 1 2235 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 95.31 -0.028777447 9.930897 14.880861 1 2236 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 94.53 1.4969475 8.07056 12.961924 1 2237 +ATOM N N . SER B0 2 74 . 74 SER B0 N 96.88 -0.7339071 13.615189 14.393362 1 2238 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 96.09 -0.56936884 14.871691 15.123011 1 2239 +ATOM C C . SER B0 2 74 . 74 SER B0 C 96.48 0.04429543 14.712355 16.508562 1 2240 +ATOM O O . SER B0 2 74 . 74 SER B0 O 95.31 0.78543115 15.595257 16.959259 1 2241 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 95.31 -1.917847 15.586031 15.2433405 1 2242 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 94.14 -2.824154 14.809809 16.005293 1 2243 +ATOM N N . SER B0 2 75 . 75 SER B0 N 95.7 -0.24681965 13.618468 17.190557 1 2244 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 95.7 0.27941364 13.362586 18.533482 1 2245 +ATOM C C . SER B0 2 75 . 75 SER B0 C 95.7 0.4589521 11.85354 18.69418 1 2246 +ATOM O O . SER B0 2 75 . 75 SER B0 O 95.31 -0.49616528 11.136396 19.002134 1 2247 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 95.31 -0.6647898 13.918966 19.601929 1 2248 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 91.41 -0.11674032 13.745642 20.912277 1 2249 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 94.92 1.6872013 11.388777 18.469084 1 2250 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 94.92 1.9829364 9.956303 18.46264 1 2251 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 94.53 1.6210496 9.289217 19.785707 1 2252 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 94.14 1.948111 9.802542 20.862984 1 2253 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 94.53 3.4709928 9.747587 18.156252 1 2254 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 93.75 3.9017735 8.376757 17.646544 1 2255 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 92.58 5.4191504 8.3097315 17.617962 1 2256 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 91.8 3.3244777 8.120363 16.258999 1 2257 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 93.36 0.93317145 8.150625 19.687916 1 2258 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 93.36 0.5406692 7.3722687 20.852669 1 2259 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 92.58 1.3188093 6.0574417 20.86927 1 2260 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 91.8 1.8494587 5.628518 19.833565 1 2261 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 93.36 -0.9661163 7.096782 20.82477 1 2262 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 92.58 -1.8236749 8.358314 20.857374 1 2263 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 91.41 -1.5590687 9.200865 22.095814 1 2264 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 89.06 -1.6867354 8.724045 23.21683 1 2265 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 87.89 -1.1701444 10.447438 21.89154 1 2266 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 90.62 1.410969 5.388383 22.047024 1 2267 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 89.45 2.174039 4.1351585 22.129486 1 2268 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 90.62 1.7357076 3.086059 21.113525 1 2269 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 89.84 2.5776355 2.360815 20.576118 1 2270 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 88.28 1.908931 3.668573 23.566166 1 2271 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 86.72 1.6934925 4.9338713 24.32526 1 2272 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 87.5 0.91693115 5.8076406 23.371508 1 2273 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 92.19 0.42952693 3.0132098 20.805897 1 2274 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 91.8 -0.0714952 2.01881 19.870975 1 2275 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 92.19 0.18182689 2.3799229 18.406227 1 2276 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 91.02 -0.14821573 1.6000067 17.51414 1 2277 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 90.62 -1.5823827 1.7928408 20.090721 1 2278 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 87.5 -2.4515166 3.0331125 19.84177 1 2279 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 84.77 -2.7218764 3.8282413 21.1004 1 2280 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 82.42 -1.851213 3.859767 22.011425 1 2281 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 81.64 -3.8109024 4.4337106 21.198936 1 2282 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 94.53 0.7691129 3.5526066 18.13766 1 2283 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 94.53 1.0312417 3.9960992 16.77522 1 2284 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 93.75 2.398855 3.5664964 16.246376 1 2285 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 92.97 2.6974058 3.8104975 15.073428 1 2286 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 94.53 0.92109615 5.5277343 16.674126 1 2287 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 94.92 -0.4536385 6.0399284 17.046911 1 2288 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 93.75 -1.427309 5.247993 16.971903 1 2289 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 93.36 -0.5661254 7.2243 17.417564 1 2290 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 93.36 3.235554 2.946935 17.074547 1 2291 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 92.97 4.528002 2.468948 16.60912 1 2292 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 92.97 4.2998247 1.209569 15.778784 1 2293 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 91.8 3.848297 0.1961139 16.284973 1 2294 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 91.02 5.4716077 2.227632 17.788006 1 2295 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 87.89 5.857741 3.5115242 18.475681 1 2296 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 86.72 5.2208104 3.9055853 19.646524 1 2297 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 85.55 6.8338656 4.3310847 17.930347 1 2298 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 83.98 5.5512853 5.1022425 20.259617 1 2299 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 83.59 7.1680346 5.528569 18.544525 1 2300 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 83.2 6.5306616 5.917162 19.712633 1 2301 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 94.92 4.5818453 1.3377578 14.474623 1 2302 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 94.53 4.2361975 0.31800857 13.486983 1 2303 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 94.92 4.8909883 0.6990052 12.165528 1 2304 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 94.53 5.6430473 1.667767 12.097025 1 2305 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 94.53 2.7173245 0.23382048 13.322407 1 2306 +ATOM N N . THR B0 2 83 . 83 THR B0 N 96.09 4.592867 -0.08232176 11.11463 1 2307 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 96.48 5.061487 0.2492778 9.774452 1 2308 +ATOM C C . THR B0 2 83 . 83 THR B0 C 96.88 3.8771434 0.787264 8.971696 1 2309 +ATOM O O . THR B0 2 83 . 83 THR B0 O 97.27 2.774519 0.23359391 9.032925 1 2310 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 95.7 5.667409 -0.984269 9.075638 1 2311 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 94.14 6.786538 -1.4565879 9.84973 1 2312 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 94.53 6.15798 -0.64664614 7.6650095 1 2313 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 97.66 4.0989394 1.8761711 8.234996 1 2314 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 97.66 3.0530148 2.5260234 7.458246 1 2315 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 97.66 3.359396 2.438551 5.9636865 1 2316 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 97.27 4.506871 2.6312842 5.551381 1 2317 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 97.66 2.8984394 3.992581 7.8895717 1 2318 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 97.66 2.4181418 4.1220098 9.314196 1 2319 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 96.09 3.3089564 4.0427074 10.381678 1 2320 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 94.92 1.0644035 4.2784534 9.597517 1 2321 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 96.09 2.8647895 4.114864 11.694436 1 2322 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 96.09 0.61190677 4.3586674 10.902643 1 2323 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 96.88 1.5141165 4.275013 11.9475 1 2324 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 97.27 1.0729362 4.3368855 13.246017 1 2325 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 98.05 2.320476 2.1230578 5.1711283 1 2326 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 98.05 2.4598207 1.983412 3.725223 1 2327 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 98.05 1.4647999 2.873602 2.9853544 1 2328 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 98.05 0.30679253 2.9876323 3.3955417 1 2329 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 97.66 2.1897686 0.5372964 3.2894664 1 2330 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 97.27 3.1824193 -0.48626456 3.7787032 1 2331 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 95.7 2.9444447 -1.2064815 4.9490004 1 2332 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 95.7 4.343856 -0.7552255 3.0675862 1 2333 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 95.31 3.850072 -2.154972 5.392345 1 2334 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 95.7 5.2513313 -1.7055835 3.510901 1 2335 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 96.48 4.998938 -2.40268 4.6699305 1 2336 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 95.31 5.890313 -3.3389254 5.1094956 1 2337 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 98.05 1.9186227 3.4884434 1.8961729 1 2338 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 97.66 1.0001247 4.163891 0.98064303 1 2339 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 97.66 0.71846926 3.208182 -0.17017812 1 2340 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 97.66 1.4750085 2.2569199 -0.4042543 1 2341 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 96.88 1.5809131 5.485614 0.45909947 1 2342 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 96.09 3.1590068 5.372153 -0.3763703 1 2343 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 97.27 -0.39747456 3.411351 -0.867877 1 2344 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 97.66 -0.80547047 2.530847 -1.9610252 1 2345 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 97.27 -1.5601705 3.3254976 -3.019586 1 2346 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 97.27 -2.4059825 4.150303 -2.6838093 1 2347 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 96.88 -1.6906662 1.3975075 -1.4390087 1 2348 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 96.09 -2.2939346 0.5098258 -2.5331802 1 2349 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 96.88 -3.7868798 0.7283985 -2.7064934 1 2350 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 91.41 -4.557093 0.57315624 -1.762282 1 2351 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 91.02 -4.2038774 1.116746 -3.9092402 1 2352 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 96.48 -1.2162626 3.0727131 -4.292898 1 2353 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 96.09 -1.9313225 3.7035131 -5.396799 1 2354 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 96.09 -2.61203 2.63431 -6.2424254 1 2355 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 95.7 -2.1635857 1.4884942 -6.292589 1 2356 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 94.92 -0.9884818 4.523176 -6.287524 1 2357 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 92.58 -0.03253433 3.674408 -7.132799 1 2358 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 92.19 0.71637005 4.479924 -8.181712 1 2359 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 89.45 0.22880003 5.4938703 -8.674385 1 2360 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 87.5 1.9216278 4.0218525 -8.5212555 1 2361 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 92.97 -3.7073576 3.013353 -6.902083 1 2362 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 92.58 -4.4016323 2.1759262 -7.872817 1 2363 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 92.19 -4.475397 2.9772143 -9.170558 1 2364 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 91.02 -4.9069586 4.1330295 -9.149599 1 2365 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 91.8 -5.8160787 1.8315377 -7.3879356 1 2366 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 91.02 -6.667417 1.1601832 -8.421263 1 2367 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 89.45 -7.8299503 1.7607175 -8.880501 1 2368 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 88.67 -6.30911 -0.073230736 -8.929218 1 2369 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 87.11 -8.619458 1.1405706 -9.832847 1 2370 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 87.11 -7.093353 -0.7004882 -9.883421 1 2371 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 87.11 -8.252411 -0.09310195 -10.34041 1 2372 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 90.23 -4.024229 2.4009242 -10.282175 1 2373 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 89.45 -3.956222 3.1487532 -11.536236 1 2374 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 89.84 -4.6211867 2.4305754 -12.712774 1 2375 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 88.67 -4.0388055 2.3133223 -13.798395 1 2376 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 87.89 -2.5044205 3.4953487 -11.876585 1 2377 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 84.77 -2.4069912 4.618017 -12.895397 1 2378 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 82.03 -3.28105 5.4750123 -12.97123 1 2379 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 80.86 -1.3288455 4.63295 -13.664307 1 2380 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 87.5 -5.8515263 1.9810547 -12.535574 1 2381 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 87.11 -6.690366 1.572746 -13.6391115 1 2382 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 87.11 -6.432205 0.25143233 -14.334656 1 2383 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 85.16 -5.877556 -0.6778158 -13.752565 1 2384 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 87.5 -6.8384066 0.20135728 -15.624521 1 2385 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 87.11 -6.788356 -1.0226243 -16.418839 1 2386 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 87.11 -5.6450777 -0.9937844 -17.41843 1 2387 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 85.55 -5.477676 0.01142185 -18.122425 1 2388 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 85.55 -8.12565 -1.2083836 -17.157887 1 2389 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 83.98 -8.202835 -2.4800684 -17.954481 1 2390 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 81.64 -7.6205378 -2.5821815 -19.210478 1 2391 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 80.86 -8.850292 -3.6087046 -17.441021 1 2392 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 79.3 -7.6737595 -3.7576962 -19.934563 1 2393 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 78.52 -8.915433 -4.7873654 -18.162458 1 2394 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 78.91 -8.325414 -4.858543 -19.406818 1 2395 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 78.12 -8.371482 -6.0223227 -20.121943 1 2396 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 87.5 -4.8831396 -2.1047132 -17.601551 1 2397 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 87.5 -4.922025 -3.2530055 -16.69559 1 2398 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 88.28 -4.5090685 -2.8320699 -15.297514 1 2399 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 87.5 -3.707652 -1.9033779 -15.136921 1 2400 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 85.94 -3.9063787 -4.2181253 -17.321495 1 2401 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 83.98 -2.9639347 -3.3201585 -18.042437 1 2402 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 83.59 -3.8162062 -2.192659 -18.574099 1 2403 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 89.84 -5.0962477 -3.471339 -14.285695 1 2404 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 89.45 -4.8618755 -3.0604248 -12.901199 1 2405 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 89.45 -3.3761766 -2.8932939 -12.598846 1 2406 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 87.89 -2.5613685 -3.7629883 -12.917252 1 2407 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 88.67 -5.470897 -4.074539 -11.927952 1 2408 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 88.67 -6.9425087 -3.9006498 -11.731089 1 2409 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 85.94 -7.8557005 -4.1278033 -12.746947 1 2410 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 85.55 -7.668565 -3.5235205 -10.655983 1 2411 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 85.16 -9.080601 -3.891777 -12.279789 1 2412 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 85.16 -8.992812 -3.524771 -11.0274105 1 2413 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 91.8 -3.0464144 -1.7717695 -12.016231 1 2414 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 92.58 -1.6919672 -1.4673434 -11.5919895 1 2415 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 93.75 -1.7408195 -0.8828412 -10.190765 1 2416 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 92.97 -1.9195666 0.31679243 -10.002037 1 2417 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 90.23 -1.0185102 -0.48384756 -12.555141 1 2418 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 86.72 -0.7190332 -1.0616008 -13.945278 1 2419 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 83.59 0.4497683 -2.0310931 -13.8974085 1 2420 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 79.69 0.83912456 -2.4973614 -15.224167 1 2421 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 76.95 0.3113442 -3.5459657 -15.834927 1 2422 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 73.83 -0.6619176 -4.2483397 -15.244089 1 2423 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 74.22 0.72362196 -3.89609 -17.026371 1 2424 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 94.92 -1.6189983 -1.7656562 -9.201236 1 2425 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 94.92 -1.5720816 -1.3402526 -7.8052244 1 2426 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 95.31 -0.13328263 -1.4474483 -7.33066 1 2427 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 94.53 0.5554299 -2.434997 -7.623274 1 2428 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 94.53 -2.44564 -2.237853 -6.9273815 1 2429 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 93.75 -3.9609857 -2.0667439 -6.9472914 1 2430 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 91.8 -4.553935 -2.7941775 -8.128632 1 2431 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 91.41 -4.5513906 -2.5817323 -5.6514096 1 2432 +ATOM N N . THR B0 2 97 . 97 THR B0 N 96.09 0.3207925 -0.4467031 -6.623034 1 2433 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 96.48 1.6563605 -0.49759486 -6.047645 1 2434 +ATOM C C . THR B0 2 97 . 97 THR B0 C 96.88 1.6335056 0.059801444 -4.625966 1 2435 +ATOM O O . THR B0 2 97 . 97 THR B0 O 96.88 0.8724175 0.98902404 -4.328562 1 2436 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 95.31 2.6982574 0.29237118 -6.8740997 1 2437 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 90.62 2.254498 1.6382551 -7.062683 1 2438 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 90.23 2.9362216 -0.36632162 -8.227951 1 2439 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 97.27 2.4542851 -0.5417744 -3.7776217 1 2440 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 97.27 2.637213 -0.06035195 -2.4142094 1 2441 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 97.27 3.979648 0.6418072 -2.3162754 1 2442 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 96.48 4.9235134 0.29863435 -3.037861 1 2443 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 97.27 2.6204522 -1.226916 -1.4168026 1 2444 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 97.27 1.2913355 -1.8850007 -1.2483295 1 2445 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 95.7 0.9647654 -3.0112295 -1.9877006 1 2446 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 95.31 0.37192667 -1.392554 -0.3364528 1 2447 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 95.7 -0.26771188 -3.626788 -1.8236958 1 2448 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 96.09 -0.8585855 -2.0050132 -0.16926527 1 2449 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 96.88 -1.1745512 -3.1261926 -0.9118217 1 2450 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 96.88 4.0590143 1.6180893 -1.4198934 1 2451 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 96.88 5.3421173 2.22645 -1.1273749 1 2452 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 96.88 6.190326 1.2355968 -0.34842908 1 2453 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 96.48 5.71475 0.19175214 0.10039574 1 2454 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 96.48 7.4579306 1.5441735 -0.17072824 1 2455 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 96.48 8.38218 0.65998024 0.5251583 1 2456 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 96.48 8.165473 0.55586004 2.0131645 1 2457 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 96.09 8.733014 -0.3287879 2.6595821 1 2458 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 96.48 7.3424406 1.4280102 2.5730066 1 2459 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 96.48 7.04181 1.396574 3.9962893 1 2460 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 96.09 7.9064627 2.334578 4.819504 1 2461 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 96.09 9.044258 2.6482813 4.445584 1 2462 +ATOM N N . THR B0 2 102 . 102 THR B0 N 96.09 7.3441286 2.7999437 5.9236135 1 2463 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 95.7 8.061195 3.6251354 6.882419 1 2464 +ATOM C C . THR B0 2 102 . 102 THR B0 C 95.7 7.846977 3.0021372 8.264505 1 2465 +ATOM O O . THR B0 2 102 . 102 THR B0 O 95.7 6.7086635 2.896097 8.726973 1 2466 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 96.09 7.553351 5.08195 6.901879 1 2467 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 95.31 7.8365383 5.7067957 5.6471725 1 2468 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 94.92 8.219169 5.8762913 8.025841 1 2469 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 94.92 8.937141 2.567421 8.895845 1 2470 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 94.53 8.84706 1.9755969 10.217169 1 2471 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 95.31 9.035037 3.0617743 11.266228 1 2472 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 94.53 10.070396 3.7340941 11.295443 1 2473 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 93.36 9.899886 0.87358236 10.395787 1 2474 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 89.84 9.741571 0.110397264 11.707372 1 2475 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 86.72 10.68358 -1.0870332 11.761215 1 2476 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 82.42 10.454475 -1.9026091 13.032007 1 2477 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 78.12 11.310402 -3.0963745 13.078756 1 2478 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 94.92 8.009277 3.25121 12.094646 1 2479 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 94.53 8.064385 4.2507744 13.161423 1 2480 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 94.14 8.420462 3.5265498 14.44765 1 2481 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 92.97 7.662627 2.6832848 14.931421 1 2482 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 95.31 6.7210293 4.988839 13.319813 1 2483 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 94.14 6.810109 6.009778 14.442818 1 2484 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 93.36 6.3386526 5.6695805 11.998653 1 2485 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 93.75 9.588759 3.8503556 14.9956455 1 2486 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 93.75 10.060301 3.209214 16.220695 1 2487 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 93.75 10.168692 4.2248826 17.346 1 2488 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 92.97 10.120465 5.435836 17.12456 1 2489 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 92.19 11.4262 2.5344691 16.000023 1 2490 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 90.23 12.566048 3.5211248 15.757466 1 2491 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 88.28 13.91993 3.0619206 16.287338 1 2492 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 86.33 14.156308 1.840725 16.410305 1 2493 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 85.94 14.769522 3.930976 16.59277 1 2494 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 93.75 10.300786 3.7173727 18.573238 1 2495 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 93.36 10.401266 4.574173 19.749664 1 2496 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 94.14 11.827166 5.114415 19.867067 1 2497 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 93.36 12.792108 4.3571577 19.78822 1 2498 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 91.8 10.037003 3.800351 21.03048 1 2499 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 88.67 8.640606 3.1848233 20.899502 1 2500 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 87.5 10.121851 4.7183914 22.252861 1 2501 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 83.59 8.295883 2.188097 22.001118 1 2502 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 93.75 11.939154 6.4284983 20.052876 1 2503 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 93.36 13.242882 7.0473804 20.226105 1 2504 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 93.36 13.623705 7.057702 21.704372 1 2505 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 92.19 12.781263 7.336912 22.565666 1 2506 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 92.58 13.258428 8.48462 19.679794 1 2507 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 90.23 14.635897 9.130697 19.706741 1 2508 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 87.89 14.633811 10.475102 18.995218 1 2509 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 84.77 16.031202 11.059053 18.912273 1 2510 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 82.03 16.059057 12.308005 18.128033 1 2511 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 93.36 14.858867 6.7438393 21.9868 1 2512 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 93.36 15.390835 6.773499 23.347378 1 2513 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 92.97 16.846146 7.194903 23.277819 1 2514 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 92.19 17.38619 7.3919716 22.184078 1 2515 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 92.58 15.251436 5.411345 24.034132 1 2516 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 91.41 15.970207 4.2603683 23.331095 1 2517 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 91.02 16.3795 3.1880176 24.325891 1 2518 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 89.84 17.514051 3.6455462 25.141388 1 2519 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 89.84 17.802792 3.1913683 26.351913 1 2520 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 87.89 17.058813 2.2560024 26.910309 1 2521 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 88.67 18.850094 3.6791828 27.004944 1 2522 +ATOM N N . THR B0 2 109 . 109 THR B0 N 94.14 17.489182 7.336138 24.419062 1 2523 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 93.75 18.890446 7.722909 24.457441 1 2524 +ATOM C C . THR B0 2 109 . 109 THR B0 C 94.14 19.76464 6.585045 23.937426 1 2525 +ATOM O O . THR B0 2 109 . 109 THR B0 O 93.75 19.389668 5.4062543 24.012257 1 2526 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 92.97 19.331379 8.092123 25.886162 1 2527 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 91.02 19.09771 6.9821787 26.7603 1 2528 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 89.45 18.571892 9.312754 26.402966 1 2529 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 95.31 20.921448 6.955288 23.39312 1 2530 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 95.7 21.85529 5.953172 22.872211 1 2531 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 95.31 22.304707 5.045598 24.011501 1 2532 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 94.92 22.60292 5.519847 25.111004 1 2533 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 95.31 23.077541 6.6246777 22.20969 1 2534 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 93.36 24.10888 5.58127 21.80023 1 2535 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 92.97 22.639126 7.443924 20.999075 1 2536 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 96.09 22.316883 3.7493474 23.753971 1 2537 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 96.09 22.7417 2.7637763 24.745068 1 2538 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 96.48 23.704218 1.7905867 24.077517 1 2539 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 96.09 23.34864 1.1428151 23.096249 1 2540 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 96.09 21.546642 2.0241594 25.324593 1 2541 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 96.09 24.922493 1.7050039 24.611145 1 2542 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 96.09 25.914337 0.7870784 24.068745 1 2543 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 96.09 25.560658 -0.653795 24.439291 1 2544 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 96.09 24.99848 -0.89964235 25.50762 1 2545 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 96.09 27.301 1.1351134 24.60091 1 2546 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 95.7 25.86996 -1.615809 23.55178 1 2547 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 96.09 25.550056 -3.0078592 23.863422 1 2548 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 95.7 26.50176 -3.600263 24.89888 1 2549 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 94.92 27.677902 -3.2343683 24.953194 1 2550 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 96.09 25.7149 -3.7192593 22.515049 1 2551 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 95.31 26.764507 -2.9218693 21.820633 1 2552 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 95.31 26.480068 -1.4792969 22.208172 1 2553 +ATOM N N . SER B0 2 114 . 114 SER B0 N 95.7 25.96095 -4.49861 25.715353 1 2554 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 95.31 26.806488 -5.33615 26.564651 1 2555 +ATOM C C . SER B0 2 114 . 114 SER B0 C 95.7 27.133698 -6.536157 25.693136 1 2556 +ATOM O O . SER B0 2 114 . 114 SER B0 O 95.7 26.219185 -7.170345 25.146736 1 2557 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 94.14 26.063011 -5.766163 27.829403 1 2558 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 90.62 25.701614 -4.635928 28.628214 1 2559 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 94.92 28.42004 -6.833898 25.51976 1 2560 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 94.92 28.844181 -7.8896856 24.604092 1 2561 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 94.14 29.311249 -9.131659 25.36449 1 2562 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 93.36 30.096666 -9.03512 26.309212 1 2563 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 95.31 29.967495 -7.3899126 23.661499 1 2564 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 94.14 30.31916 -8.454294 22.629333 1 2565 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 93.36 29.544416 -6.0931544 22.971344 1 2566 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 95.7 28.80267 -10.298257 24.934734 1 2567 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 95.7 29.159 -11.575876 25.53555 1 2568 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 96.09 29.496096 -12.566574 24.429893 1 2569 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 96.09 28.911263 -12.505457 23.341686 1 2570 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 94.92 27.999176 -12.134824 26.373371 1 2571 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 93.36 27.442215 -11.169274 27.3881 1 2572 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 91.02 26.351458 -10.375675 27.083294 1 2573 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 90.62 28.013336 -11.064558 28.645264 1 2574 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 88.67 25.835617 -9.481335 28.017189 1 2575 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 88.28 27.507015 -10.179463 29.580368 1 2576 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 88.67 26.411894 -9.386515 29.259613 1 2577 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 94.92 30.441225 -13.491598 24.71013 1 2578 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 94.92 30.780363 -14.518 23.729612 1 2579 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 94.53 30.665274 -15.893215 24.39215 1 2580 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 94.14 31.024185 -16.069386 25.560974 1 2581 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 95.31 32.196136 -14.303684 23.128742 1 2582 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 93.75 32.440636 -15.260521 21.954252 1 2583 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 92.97 33.276363 -14.443369 24.203592 1 2584 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 92.97 33.67674 -14.909089 21.117558 1 2585 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 96.09 30.105312 -16.86409 23.645878 1 2586 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 96.09 29.906246 -18.215649 24.164108 1 2587 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 96.09 30.618103 -19.230408 23.278141 1 2588 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 95.7 30.324888 -19.310957 22.078005 1 2589 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 96.09 28.413368 -18.566826 24.211649 1 2590 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 95.31 27.580404 -17.666046 25.080608 1 2591 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 92.19 26.942581 -16.55814 24.5483 1 2592 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 91.8 27.442207 -17.939325 26.42752 1 2593 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 92.19 26.17558 -15.732603 25.354553 1 2594 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 92.58 26.680246 -17.121643 27.234585 1 2595 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 94.14 26.040558 -16.012676 26.69426 1 2596 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 95.7 31.54921 -20.035343 23.850292 1 2597 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 95.31 32.186523 -21.095955 23.061256 1 2598 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 96.09 31.183525 -22.207409 22.762623 1 2599 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 95.7 30.142048 -22.295456 23.42241 1 2600 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 94.92 33.30088 -21.60365 23.986742 1 2601 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 93.36 33.47097 -20.531319 25.021387 1 2602 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 94.53 32.097134 -19.92896 25.184193 1 2603 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 96.09 31.475552 -23.066679 21.759972 1 2604 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 95.7 30.568861 -24.188667 21.511265 1 2605 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 95.7 30.588812 -25.134903 22.711868 1 2606 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 94.92 31.619883 -25.278625 23.381462 1 2607 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 95.7 31.15994 -24.856672 20.259434 1 2608 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 94.92 32.585747 -24.441074 20.248188 1 2609 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 95.31 32.601414 -23.0509 20.81885 1 2610 +ATOM N N . SER B0 2 121 . 121 SER B0 N 95.31 29.454025 -25.771729 22.978975 1 2611 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 95.31 29.381416 -26.713776 24.090164 1 2612 +ATOM C C . SER B0 2 121 . 121 SER B0 C 94.92 30.07503 -28.020596 23.720505 1 2613 +ATOM O O . SER B0 2 121 . 121 SER B0 O 94.53 30.154907 -28.39178 22.544653 1 2614 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 94.92 27.919348 -26.990032 24.45496 1 2615 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 93.36 27.271626 -27.671421 23.394512 1 2616 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 94.92 30.583645 -28.715797 24.73616 1 2617 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 94.14 31.180733 -30.032284 24.500992 1 2618 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 94.92 30.134819 -30.972265 23.91731 1 2619 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 94.14 30.456554 -31.832138 23.093185 1 2620 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 92.58 31.723907 -30.611181 25.810436 1 2621 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 88.28 32.955822 -29.87238 26.308178 1 2622 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 85.55 33.638138 -29.228762 25.492146 1 2623 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 83.98 33.234333 -29.949112 27.524382 1 2624 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 95.7 28.894588 -30.775156 24.321886 1 2625 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 95.31 27.781467 -31.582626 23.844646 1 2626 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 95.31 27.626574 -31.456802 22.328674 1 2627 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 94.53 27.456924 -32.44931 21.620682 1 2628 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 94.53 26.49579 -31.146244 24.557854 1 2629 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 89.84 25.327612 -32.08871 24.404991 1 2630 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 86.33 24.132832 -31.646183 25.214558 1 2631 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 83.98 24.287226 -30.777992 26.1025 1 2632 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 82.81 23.02611 -32.154778 24.973164 1 2633 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 96.09 27.712658 -30.21648 21.807838 1 2634 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 96.09 27.570612 -30.009624 20.369614 1 2635 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 95.7 28.777927 -30.55154 19.6176 1 2636 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 94.92 28.628637 -31.1143 18.534918 1 2637 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 95.31 27.377436 -28.525448 20.0392 1 2638 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 94.92 27.152517 -28.301075 18.550648 1 2639 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 95.31 27.154106 -26.86 18.126991 1 2640 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 91.8 27.758461 -26.017853 18.786478 1 2641 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 90.62 26.490166 -26.563229 17.01376 1 2642 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 96.09 29.972588 -30.363558 20.167645 1 2643 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 95.7 31.184795 -30.812382 19.492355 1 2644 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 95.7 31.170582 -32.31241 19.20929 1 2645 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 94.92 31.75993 -32.760174 18.224232 1 2646 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 95.31 32.423744 -30.438389 20.315632 1 2647 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 94.14 32.756042 -28.944078 20.34351 1 2648 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 92.58 33.8841 -28.668863 21.330687 1 2649 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 91.41 33.128563 -28.460365 18.948677 1 2650 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 95.7 30.478195 -33.088894 20.053856 1 2651 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 95.31 30.361418 -34.52944 19.838291 1 2652 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 95.31 29.619211 -34.847958 18.547081 1 2653 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 93.75 29.800018 -35.92106 17.968845 1 2654 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 94.14 29.652075 -35.191322 21.020092 1 2655 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 89.45 30.46723 -35.195614 22.30644 1 2656 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 85.94 29.64444 -35.73288 23.48131 1 2657 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 81.64 29.262123 -37.18111 23.273342 1 2658 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 77.34 28.453995 -37.720894 24.400421 1 2659 +ATOM N N . SER B0 2 127 . 127 SER B0 N 95.31 28.79766 -33.88542 18.064419 1 2660 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 94.92 28.02792 -34.089466 16.845627 1 2661 +ATOM C C . SER B0 2 127 . 127 SER B0 C 94.53 28.79534 -33.680374 15.594021 1 2662 +ATOM O O . SER B0 2 127 . 127 SER B0 O 93.36 28.31091 -33.895172 14.476849 1 2663 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 93.36 26.718334 -33.311672 16.915516 1 2664 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 89.84 26.951502 -31.916584 16.831617 1 2665 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 95.31 29.99823 -33.104706 15.753184 1 2666 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 95.31 30.831938 -32.748287 14.621258 1 2667 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 95.31 30.74535 -31.31668 14.15002 1 2668 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 94.14 31.367025 -30.961731 13.141369 1 2669 +ATOM N N . THR B0 2 129 . 129 THR B0 N 96.48 30.005814 -30.457914 14.847498 1 2670 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 96.09 29.866695 -29.053276 14.468042 1 2671 +ATOM C C . THR B0 2 129 . 129 THR B0 C 96.48 30.110748 -28.155348 15.671778 1 2672 +ATOM O O . THR B0 2 129 . 129 THR B0 O 95.7 29.8619 -28.562038 16.813932 1 2673 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 94.53 28.46671 -28.779108 13.893118 1 2674 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 89.84 28.267649 -29.598856 12.7380085 1 2675 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 87.89 28.315096 -27.31379 13.48624 1 2676 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 96.88 30.59808 -26.933983 15.403092 1 2677 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 96.48 30.856884 -25.967075 16.460098 1 2678 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 96.88 30.148544 -24.655577 16.140177 1 2679 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 96.48 30.361067 -24.071793 15.074678 1 2680 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 96.48 32.3574 -25.734436 16.617947 1 2681 +ATOM N N . SER B0 2 131 . 131 SER B0 N 97.27 29.293179 -24.191456 17.063868 1 2682 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 97.27 28.622843 -22.904734 16.93098 1 2683 +ATOM C C . SER B0 2 131 . 131 SER B0 C 97.27 29.146313 -21.967861 18.014727 1 2684 +ATOM O O . SER B0 2 131 . 131 SER B0 O 96.48 29.077757 -22.292736 19.206253 1 2685 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 96.88 27.10868 -23.055847 17.0797 1 2686 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 94.14 26.556229 -23.833725 16.03354 1 2687 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 97.27 29.70248 -20.836746 17.58157 1 2688 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 97.27 30.193102 -19.82588 18.513762 1 2689 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 97.27 29.189129 -18.678898 18.464794 1 2690 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 96.88 28.84639 -18.1911 17.377087 1 2691 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 97.27 31.601694 -19.32021 18.127151 1 2692 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 93.75 32.19483 -18.509266 19.268505 1 2693 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 92.58 32.521896 -20.496086 17.774858 1 2694 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 96.88 28.709848 -18.246899 19.635853 1 2695 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 97.27 27.66238 -17.23597 19.686779 1 2696 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 96.48 28.168575 -15.944191 20.32679 1 2697 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 96.48 28.801052 -15.9672365 21.385233 1 2698 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 97.27 26.426498 -17.750038 20.461288 1 2699 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 93.36 25.370796 -16.653414 20.584227 1 2700 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 93.36 25.84705 -18.973984 19.76381 1 2701 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 97.27 27.872782 -14.81345 19.651758 1 2702 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 97.27 28.191774 -13.492116 20.180933 1 2703 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 97.27 26.873268 -12.77524 20.448578 1 2704 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 96.88 26.022831 -12.683174 19.556278 1 2705 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 96.48 29.03879 -12.702051 19.188421 1 2706 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 94.14 29.655666 -11.135021 19.815407 1 2707 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 96.88 26.687656 -12.282396 21.675714 1 2708 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 96.48 25.45961 -11.608898 22.08272 1 2709 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 96.88 25.714966 -10.1236315 22.319624 1 2710 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 96.48 26.632471 -9.756519 23.060684 1 2711 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 96.48 24.904404 -12.249915 23.364353 1 2712 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 95.7 23.783604 -11.482616 24.093172 1 2713 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 92.97 23.507038 -12.115652 25.452757 1 2714 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 92.97 22.51291 -11.445845 23.25122 1 2715 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 97.27 24.908707 -9.276409 21.656002 1 2716 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 96.88 24.936142 -7.8299556 21.879955 1 2717 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 96.88 23.619408 -7.5143185 22.573906 1 2718 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 96.48 22.550365 -7.62713 21.961685 1 2719 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 97.27 25.02007 -7.078188 20.552645 1 2720 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 96.09 26.351307 -7.019289 19.810879 1 2721 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 94.92 26.82405 -8.392822 19.387657 1 2722 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 94.14 26.242558 -6.0927696 18.608076 1 2723 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 96.88 23.685892 -7.1443276 23.845383 1 2724 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 96.88 22.474789 -7.009014 24.646523 1 2725 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 96.88 22.080849 -5.5688725 24.950092 1 2726 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 96.48 22.91729 -4.750683 25.354805 1 2727 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 96.09 22.641605 -7.7772517 25.963665 1 2728 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 92.97 21.333273 -8.268591 26.53625 1 2729 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 89.06 20.51395 -8.854258 25.815182 1 2730 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 88.67 21.140026 -8.087086 27.814299 1 2731 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 96.48 20.792595 -5.2733684 24.759584 1 2732 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 96.48 20.132353 -4.0428677 25.174189 1 2733 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 96.48 20.833267 -2.7758238 24.684448 1 2734 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 96.09 21.323406 -1.9642267 25.470238 1 2735 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 95.7 19.971199 -4.0096803 26.699835 1 2736 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 94.53 19.093075 -5.128831 27.209427 1 2737 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 89.84 18.423126 -5.816983 26.436993 1 2738 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 89.06 19.075796 -5.3290358 28.52145 1 2739 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 96.88 20.830723 -2.5786684 23.354359 1 2740 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 96.88 21.4581 -1.3973358 22.767174 1 2741 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 96.48 20.471308 -0.5641781 21.957695 1 2742 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 96.09 19.37218 -1.0102959 21.629324 1 2743 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 97.27 22.659348 -1.791057 21.896755 1 2744 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 96.88 22.32016 -2.7059846 20.749374 1 2745 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 94.14 22.354607 -4.084669 20.91151 1 2746 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 93.75 22.006973 -2.1861184 19.50919 1 2747 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 94.14 22.062193 -4.928648 19.84611 1 2748 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 94.14 21.720064 -3.025495 18.44167 1 2749 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 96.48 21.74851 -4.401707 18.611416 1 2750 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 96.48 20.859278 0.6789299 21.648964 1 2751 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 96.09 20.088224 1.607089 20.834742 1 2752 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 96.09 21.029266 2.6548085 20.284721 1 2753 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 95.7 21.866919 3.16258 21.02102 1 2754 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 95.7 18.970255 2.2661486 21.660446 1 2755 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 94.53 18.055447 3.119819 20.80282 1 2756 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 93.36 18.384865 4.443596 20.515057 1 2757 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 92.58 16.906221 2.5921257 20.237736 1 2758 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 91.8 17.584995 5.2126484 19.694174 1 2759 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 91.8 16.099648 3.3564606 19.418367 1 2760 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 92.58 16.438461 4.663883 19.145098 1 2761 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 91.8 15.65828 5.4095135 18.325165 1 2762 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 95.31 20.92331 3.0139077 18.994118 1 2763 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 94.92 19.974092 2.5563931 17.978485 1 2764 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 95.31 20.284077 1.1622365 17.43805 1 2765 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 94.92 21.2507 0.5296341 17.867334 1 2766 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 94.14 20.132751 3.6111612 16.8698 1 2767 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 92.97 21.542656 4.0664186 17.006418 1 2768 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 92.97 21.809925 4.06688 18.49235 1 2769 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 94.92 19.433825 0.6837646 16.521744 1 2770 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 94.53 19.487026 -0.6878154 16.03484 1 2771 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 94.92 20.747467 -1.0151863 15.2427635 1 2772 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 94.53 21.223795 -2.1488662 15.263917 1 2773 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 93.36 18.251116 -0.96859777 15.171268 1 2774 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 90.23 18.086977 -2.4124684 14.736729 1 2775 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 87.89 16.816948 -2.5653172 13.930477 1 2776 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 85.55 16.46821 -3.958355 13.659069 1 2777 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 83.2 16.948204 -4.6614122 12.644291 1 2778 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 81.25 17.812813 -4.103465 11.797909 1 2779 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 81.64 16.582787 -5.9228487 12.481652 1 2780 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 94.92 21.31348 -0.004190322 14.542458 1 2781 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 94.53 22.472368 -0.22323495 13.681152 1 2782 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 95.31 23.695194 -0.65380096 14.480821 1 2783 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 94.53 24.113674 0.04192035 15.412551 1 2784 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 92.97 22.800415 1.0360308 12.882027 1 2785 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 87.89 21.779926 1.3784857 11.801387 1 2786 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 84.38 20.474121 1.9111979 12.333544 1 2787 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 81.25 19.443571 1.7435143 11.653536 1 2788 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 80.86 20.4615 2.4988601 13.443338 1 2789 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 96.48 24.237709 -1.8114077 14.14299 1 2790 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 96.48 25.42837 -2.353393 14.799828 1 2791 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 95.7 26.136372 -3.2802863 13.825571 1 2792 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 95.31 25.509748 -3.8596683 12.946089 1 2793 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 96.48 25.071028 -3.106563 16.079935 1 2794 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 97.27 27.46895 -3.3995495 13.974874 1 2795 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 97.27 28.2467 -4.2765126 13.105778 1 2796 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 97.27 29.011307 -5.2873483 13.954302 1 2797 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 96.88 29.631165 -4.912616 14.963087 1 2798 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 96.48 29.23249 -3.4665427 12.248365 1 2799 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 91.8 30.03276 -4.3167477 11.267858 1 2800 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 88.67 30.919064 -3.4659443 10.363178 1 2801 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 83.98 32.106094 -2.880179 11.123145 1 2802 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 79.69 33.041943 -2.1903317 10.212188 1 2803 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 97.66 28.932957 -6.561945 13.539871 1 2804 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 97.66 29.64751 -7.6406603 14.222006 1 2805 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 97.27 30.614174 -8.278506 13.23253 1 2806 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 96.88 30.206879 -8.698683 12.148426 1 2807 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 97.27 28.686604 -8.71063 14.776053 1 2808 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 94.14 29.484842 -9.840005 15.432926 1 2809 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 93.36 27.714767 -8.089279 15.776515 1 2810 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 97.66 31.893353 -8.324068 13.598152 1 2811 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 97.66 32.91607 -8.951204 12.766717 1 2812 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 97.66 33.52435 -10.115379 13.544012 1 2813 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 97.27 33.897545 -9.955302 14.712715 1 2814 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 96.48 34.008812 -7.9437165 12.400267 1 2815 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 89.84 33.566772 -6.879922 11.408031 1 2816 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 87.11 33.980328 -7.223537 9.991955 1 2817 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 82.81 33.51651 -8.220979 9.445867 1 2818 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 80.86 34.845207 -6.4083037 9.411989 1 2819 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 97.27 33.61229 -11.27192 12.898821 1 2820 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 97.66 34.21267 -12.439073 13.519087 1 2821 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 97.27 35.674507 -12.572552 13.088257 1 2822 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 96.48 36.012478 -12.349322 11.922231 1 2823 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 97.27 33.456245 -13.718603 13.139496 1 2824 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 97.27 32.176056 -13.922222 13.877351 1 2825 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 96.09 30.92483 -13.652956 13.427025 1 2826 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 96.88 32.02673 -14.455621 15.191868 1 2827 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 95.7 29.996576 -13.983288 14.38291 1 2828 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 96.88 30.64611 -14.478243 15.479828 1 2829 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 96.88 32.927048 -14.913228 16.165527 1 2830 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 96.88 30.145538 -14.944552 16.694103 1 2831 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 96.48 32.425747 -15.373843 17.366985 1 2832 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 96.48 31.05072 -15.383211 17.619793 1 2833 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 97.66 36.52248 -12.911102 14.033386 1 2834 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 97.27 37.941612 -13.154103 13.76262 1 2835 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 97.27 38.35563 -14.481522 14.3874035 1 2836 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 96.88 38.04859 -14.737995 15.554977 1 2837 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 96.88 38.815735 -12.021294 14.323756 1 2838 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 93.36 38.605545 -10.674618 13.651432 1 2839 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 91.41 39.52086 -9.617662 14.267477 1 2840 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 87.11 39.323036 -8.271851 13.594336 1 2841 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 83.59 40.165565 -7.2205043 14.221459 1 2842 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 96.88 39.037014 -15.299375 13.5887165 1 2843 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 97.27 39.55803 -16.583828 14.067733 1 2844 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 96.88 41.06948 -16.529737 13.870883 1 2845 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 96.09 41.547676 -16.4515 12.734703 1 2846 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 96.48 38.94619 -17.765266 13.296274 1 2847 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 94.53 39.560093 -19.077337 13.789057 1 2848 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 93.36 37.430527 -17.780907 13.464742 1 2849 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 96.09 41.830612 -16.5406 14.979594 1 2850 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 95.7 43.277325 -16.335754 14.953913 1 2851 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 95.7 43.599747 -15.08432 14.137024 1 2852 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 95.31 44.498997 -15.074052 13.291392 1 2853 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 95.7 44.00699 -17.563711 14.393383 1 2854 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 95.31 44.062916 -18.709867 15.396631 1 2855 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 92.97 43.85105 -18.473728 16.604038 1 2856 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 92.58 44.324947 -19.858612 14.977957 1 2857 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 95.7 42.8239 -14.029276 14.383055 1 2858 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 95.7 42.959656 -12.701638 13.783005 1 2859 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 95.7 42.604378 -12.636242 12.296883 1 2860 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 94.53 42.83378 -11.603157 11.64584 1 2861 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 94.53 44.37494 -12.142489 14.016422 1 2862 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 89.84 44.40934 -10.632203 13.978727 1 2863 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 85.55 43.459633 -9.969015 14.404055 1 2864 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 83.59 45.501038 -10.0701 13.482361 1 2865 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 96.09 42.040283 -13.699551 11.744231 1 2866 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 96.09 41.617935 -13.706648 10.344883 1 2867 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 96.48 40.118443 -13.397476 10.267801 1 2868 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 95.7 39.30327 -14.096201 10.863892 1 2869 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 95.7 41.91539 -15.050028 9.703496 1 2870 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 96.88 39.7594 -12.331953 9.513853 1 2871 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 96.48 38.36078 -11.940386 9.3700905 1 2872 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 96.48 37.56451 -13.022829 8.645979 1 2873 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 95.7 38.00615 -13.54318 7.6200204 1 2874 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 96.09 38.256462 -10.61681 8.602179 1 2875 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 92.19 38.67763 -9.356617 9.363571 1 2876 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 89.84 38.73388 -8.161808 8.417477 1 2877 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 89.06 37.71344 -9.081226 10.508628 1 2878 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 96.09 36.392967 -13.326708 9.176794 1 2879 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 95.7 35.54112 -14.366852 8.607497 1 2880 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 95.31 34.500443 -13.769221 7.6697783 1 2881 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 94.92 34.092564 -12.6116085 7.8237734 1 2882 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 95.7 34.822773 -15.146093 9.71763 1 2883 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 94.53 35.7752 -15.773972 10.7129965 1 2884 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 94.92 36.67807 -16.806759 10.071962 1 2885 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 91.02 36.211967 -17.815748 9.579947 1 2886 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 90.23 37.974834 -16.542912 10.040184 1 2887 +ATOM N N . SER B0 2 156 . 156 SER B0 N 94.53 34.09514 -14.566904 6.6974583 1 2888 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 93.75 33.072166 -14.144501 5.7495193 1 2889 +ATOM C C . SER B0 2 156 . 156 SER B0 C 93.75 32.24288 -15.350075 5.30859 1 2890 +ATOM O O . SER B0 2 156 . 156 SER B0 O 91.8 32.80017 -16.403378 4.9879103 1 2891 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 92.19 33.705067 -13.469542 4.5356936 1 2892 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 87.89 32.708683 -13.080736 3.5904756 1 2893 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 94.14 30.919872 -15.189039 5.2990103 1 2894 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 93.36 30.016594 -16.213036 4.8015285 1 2895 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 94.14 29.718224 -17.367008 5.730633 1 2896 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 92.58 29.020174 -18.302279 5.3217373 1 2897 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 95.31 30.227709 -17.322376 6.947884 1 2898 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 95.31 29.998749 -18.431957 7.869117 1 2899 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 95.7 29.330488 -18.0065 9.176271 1 2900 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 95.31 29.451576 -18.6941 10.193101 1 2901 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 94.14 31.305094 -19.183613 8.160633 1 2902 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 93.75 32.424377 -18.268978 8.64596 1 2903 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 91.8 32.234188 -17.055374 8.797607 1 2904 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 90.62 33.599197 -18.84105 8.88892 1 2905 +ATOM N N . SER B0 2 159 . 159 SER B0 N 96.48 28.618628 -16.886967 9.137364 1 2906 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 96.48 27.891232 -16.436111 10.316129 1 2907 +ATOM C C . SER B0 2 159 . 159 SER B0 C 96.48 26.5255 -15.887598 9.920225 1 2908 +ATOM O O . SER B0 2 159 . 159 SER B0 O 96.09 26.315979 -15.464985 8.77935 1 2909 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 96.09 28.687277 -15.371014 11.083128 1 2910 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 94.53 28.857586 -14.202874 10.319115 1 2911 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 96.88 25.598602 -15.925615 10.85841 1 2912 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 97.27 24.25351 -15.401617 10.647181 1 2913 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 97.66 23.81636 -14.603184 11.870079 1 2914 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 96.88 24.134829 -14.971457 13.005097 1 2915 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 95.7 23.258402 -16.532795 10.384018 1 2916 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 92.19 23.437721 -17.215618 9.046822 1 2917 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 91.41 22.356544 -18.235218 8.77132 1 2918 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 87.5 22.33498 -19.305714 9.378128 1 2919 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 86.33 21.435905 -17.901283 7.8766146 1 2920 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 96.88 23.061764 -13.502775 11.618744 1 2921 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 96.88 22.582825 -12.641168 12.68726 1 2922 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 96.88 21.066162 -12.6973915 12.8316 1 2923 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 96.09 20.351757 -12.972365 11.87212 1 2924 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 95.7 22.976032 -11.176452 12.426783 1 2925 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 94.14 24.461655 -10.890774 12.553286 1 2926 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 95.31 24.781654 -9.417196 12.352539 1 2927 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 93.75 25.959824 -9.040731 12.500185 1 2928 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 93.36 23.863398 -8.62381 12.052979 1 2929 +ATOM N N . SER B0 2 162 . 162 SER B0 N 96.88 20.605225 -12.403641 14.039356 1 2930 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 96.88 19.180273 -12.284466 14.311971 1 2931 +ATOM C C . SER B0 2 162 . 162 SER B0 C 96.88 19.005257 -11.161405 15.332097 1 2932 +ATOM O O . SER B0 2 162 . 162 SER B0 O 96.88 19.796158 -11.052971 16.277924 1 2933 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 96.09 18.616829 -13.595144 14.864359 1 2934 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 94.53 17.21508 -13.504593 15.064619 1 2935 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 95.31 17.993324 -10.310214 15.126987 1 2936 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 94.92 17.75934 -9.167557 16.00543 1 2937 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 94.92 16.341091 -9.221799 16.558884 1 2938 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 94.53 15.393547 -9.538366 15.837652 1 2939 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 94.53 17.96631 -7.8304276 15.254248 1 2940 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 93.36 17.872154 -6.6521664 16.208984 1 2941 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 92.58 19.31702 -7.825631 14.548326 1 2942 +ATOM N N . THR B0 2 164 . 164 THR B0 N 94.14 16.18985 -8.885805 17.836563 1 2943 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 94.53 14.872257 -8.8570175 18.464165 1 2944 +ATOM C C . THR B0 2 164 . 164 THR B0 C 94.14 14.089849 -7.627343 18.014559 1 2945 +ATOM O O . THR B0 2 164 . 164 THR B0 O 93.36 14.659315 -6.667006 17.48346 1 2946 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 94.92 14.976604 -8.806685 20.005325 1 2947 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 94.92 15.711065 -7.6356797 20.38625 1 2948 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 94.14 15.659506 -10.04146 20.55876 1 2949 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 93.36 12.770319 -7.6435156 18.237461 1 2950 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 92.97 11.950711 -6.4577975 18.059769 1 2951 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 94.14 12.306911 -5.497545 19.18568 1 2952 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 93.75 12.868792 -5.9032493 20.209215 1 2953 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 91.02 10.463523 -6.8128796 18.128803 1 2954 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 85.94 9.960143 -7.651968 16.954811 1 2955 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 81.64 10.004013 -6.9056177 15.641422 1 2956 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 78.12 10.347475 -7.5237446 14.618345 1 2957 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 76.56 9.700148 -5.6858764 15.627781 1 2958 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 92.58 12.000233 -4.225851 18.993538 1 2959 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 92.19 12.297373 -3.2335272 20.019903 1 2960 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 91.8 11.604849 -3.607832 21.329021 1 2961 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 91.02 10.411791 -3.9099052 21.351364 1 2962 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 92.58 11.852627 -1.8475752 19.548 1 2963 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 91.8 12.402558 -0.71730554 20.401432 1 2964 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 91.8 12.143759 0.6450463 19.795536 1 2965 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 89.06 11.144573 0.85140383 19.10368 1 2966 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 88.67 13.043791 1.5917144 20.048912 1 2967 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 92.58 12.362467 -3.609737 22.424686 1 2968 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 92.19 11.835508 -4.018377 23.728695 1 2969 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 91.8 10.683358 -3.1178575 24.168758 1 2970 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 91.02 10.7641735 -1.8854227 24.049576 1 2971 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 91.41 12.958405 -3.989719 24.77091 1 2972 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 91.02 12.5350685 -4.5732555 26.104876 1 2973 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 89.84 12.102512 -3.8074033 26.989529 1 2974 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 88.28 12.646966 -5.804664 26.257074 1 2975 +ATOM N N . SER B0 2 168 . 168 SER B0 N 88.28 9.60778 -3.7140446 24.659973 1 2976 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 87.11 8.420319 -2.9756405 25.058296 1 2977 +ATOM C C . SER B0 2 168 . 168 SER B0 C 87.89 8.613533 -2.151835 26.326584 1 2978 +ATOM O O . SER B0 2 168 . 168 SER B0 O 86.72 7.822756 -1.2508132 26.600899 1 2979 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 85.55 7.2403593 -3.9340005 25.254395 1 2980 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 82.42 7.501095 -4.8526945 26.297432 1 2981 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 89.84 9.656071 -2.439406 27.113777 1 2982 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 89.06 9.889568 -1.7415515 28.368214 1 2983 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 89.84 10.974305 -0.67750835 28.266771 1 2984 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 87.89 10.74408 0.4708164 28.65123 1 2985 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 87.11 10.226736 -2.736212 29.481657 1 2986 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 83.2 9.090423 -3.6752102 29.838497 1 2987 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 78.91 9.484319 -4.6148233 30.971579 1 2988 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 75.0 8.335735 -5.5527225 31.321995 1 2989 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 70.31 8.708289 -6.4836845 32.41076 1 2990 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 92.97 12.161972 -1.0463412 27.743057 1 2991 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 92.19 13.255961 -0.082729965 27.684921 1 2992 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 92.58 13.610043 0.37681913 26.273077 1 2993 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 91.41 14.540344 1.1692289 26.101524 1 2994 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 91.8 14.505311 -0.6220008 28.400272 1 2995 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 91.41 15.125006 -1.8383609 27.726545 1 2996 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 89.84 14.756128 -2.1486657 26.577888 1 2997 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 88.28 16.000229 -2.4704552 28.36287 1 2998 +ATOM N N . SER B0 2 171 . 171 SER B0 N 92.97 12.868006 -0.069260046 25.26649 1 2999 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 93.36 13.008682 0.35324597 23.871504 1 3000 +ATOM C C . SER B0 2 171 . 171 SER B0 C 94.53 14.370136 0.037532195 23.250988 1 3001 +ATOM O O . SER B0 2 171 . 171 SER B0 O 94.14 14.778056 0.68605953 22.281748 1 3002 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 92.19 12.7121525 1.8541083 23.733341 1 3003 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 90.23 11.428665 2.168139 24.249338 1 3004 +ATOM N N . THR B0 2 172 . 172 THR B0 N 95.31 15.075418 -0.96100414 23.783104 1 3005 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 95.7 16.370674 -1.3616112 23.237495 1 3006 +ATOM C C . THR B0 2 172 . 172 THR B0 C 95.31 16.220137 -2.57299 22.317997 1 3007 +ATOM O O . THR B0 2 172 . 172 THR B0 O 94.92 15.156227 -3.1880498 22.238657 1 3008 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 96.09 17.38597 -1.7124004 24.348322 1 3009 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 95.31 16.895006 -2.8347754 25.096394 1 3010 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 94.53 17.635456 -0.5303135 25.27611 1 3011 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 96.48 17.31681 -2.8950286 21.61953 1 3012 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 96.48 17.407448 -4.0720167 20.767519 1 3013 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 96.88 18.472591 -5.0042734 21.315716 1 3014 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 96.48 19.356274 -4.5829473 22.062202 1 3015 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 96.09 17.791885 -3.6850896 19.329134 1 3016 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 95.7 16.799862 -2.7850566 18.635685 1 3017 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 94.14 16.930262 -1.404791 18.692877 1 3018 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 93.75 15.742179 -3.3173826 17.918507 1 3019 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 92.97 16.024124 -0.57138604 18.06267 1 3020 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 92.97 14.830414 -2.4934125 17.280972 1 3021 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 93.36 14.977993 -1.1210089 17.357952 1 3022 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 92.58 14.08362 -0.30820268 16.73656 1 3023 +ATOM N N . SER B0 2 174 . 174 SER B0 N 97.66 18.376091 -6.263592 20.937077 1 3024 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 97.27 19.423582 -7.241373 21.228199 1 3025 +ATOM C C . SER B0 2 174 . 174 SER B0 C 97.27 19.702686 -8.010561 19.943195 1 3026 +ATOM O O . SER B0 2 174 . 174 SER B0 O 97.27 18.806522 -8.193878 19.118431 1 3027 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 97.27 19.011772 -8.187146 22.356258 1 3028 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 95.7 18.943209 -7.490538 23.602087 1 3029 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 97.66 20.957657 -8.4258 19.772762 1 3030 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 98.05 21.37379 -9.1056795 18.547934 1 3031 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 97.66 22.218334 -10.321472 18.881397 1 3032 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 97.66 23.031384 -10.284166 19.81023 1 3033 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 97.66 22.162903 -8.13214 17.667713 1 3034 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 96.88 22.719395 -8.600625 16.327648 1 3035 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 94.92 22.835676 -7.417499 15.362455 1 3036 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 94.14 24.070293 -9.294399 16.463451 1 3037 +ATOM N N . SER B0 2 176 . 176 SER B0 N 98.05 22.01022 -11.391045 18.11787 1 3038 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 98.05 22.805534 -12.6029005 18.255728 1 3039 +ATOM C C . SER B0 2 176 . 176 SER B0 C 98.05 23.476797 -12.899757 16.923065 1 3040 +ATOM O O . SER B0 2 176 . 176 SER B0 O 97.66 22.83569 -12.826282 15.870402 1 3041 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 96.88 21.93617 -13.784114 18.681099 1 3042 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 95.31 22.698086 -14.959578 18.760195 1 3043 +ATOM N N . SER B0 2 177 . 177 SER B0 N 98.05 24.778492 -13.193695 16.955832 1 3044 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 98.05 25.51696 -13.603096 15.759886 1 3045 +ATOM C C . SER B0 2 177 . 177 SER B0 C 98.05 26.11891 -14.973574 16.0428 1 3046 +ATOM O O . SER B0 2 177 . 177 SER B0 O 97.66 26.779812 -15.161997 17.063005 1 3047 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 97.66 26.614555 -12.59672 15.423443 1 3048 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 95.31 27.331867 -12.999098 14.257963 1 3049 +ATOM N N . THR B0 2 178 . 178 THR B0 N 97.66 25.868244 -15.920728 15.137144 1 3050 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 97.66 26.372314 -17.277157 15.321329 1 3051 +ATOM C C . THR B0 2 178 . 178 THR B0 C 97.27 27.370537 -17.626005 14.222551 1 3052 +ATOM O O . THR B0 2 178 . 178 THR B0 O 96.88 27.03848 -17.587866 13.041695 1 3053 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 97.27 25.230839 -18.305645 15.323152 1 3054 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 93.36 24.310476 -17.979128 16.3718 1 3055 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 94.14 25.76896 -19.717018 15.558559 1 3056 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 97.27 28.597496 -17.96002 14.639801 1 3057 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 97.66 29.647808 -18.412964 13.730139 1 3058 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 97.27 29.614563 -19.935345 13.731936 1 3059 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 97.27 29.650017 -20.553158 14.79527 1 3060 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 97.66 31.017654 -17.91668 14.207124 1 3061 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 96.48 32.243896 -18.39134 13.41363 1 3062 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 93.36 33.52105 -18.143673 14.215277 1 3063 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 92.19 32.301395 -17.684336 12.070465 1 3064 +ATOM N N . THR B0 2 180 . 180 THR B0 N 97.27 29.51551 -20.536034 12.532687 1 3065 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 96.88 29.438148 -21.992165 12.447038 1 3066 +ATOM C C . THR B0 2 180 . 180 THR B0 C 97.27 30.657547 -22.563583 11.726501 1 3067 +ATOM O O . THR B0 2 180 . 180 THR B0 O 96.09 31.003628 -22.132828 10.628377 1 3068 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 96.09 28.157162 -22.43251 11.726044 1 3069 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 91.41 27.021845 -21.908382 12.421427 1 3070 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 90.23 28.051056 -23.95338 11.662166 1 3071 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 96.48 31.306719 -23.546093 12.3684635 1 3072 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 96.48 32.469265 -24.239079 11.821226 1 3073 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 96.09 32.309204 -25.73593 12.028703 1 3074 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 95.31 31.560463 -26.166452 12.911503 1 3075 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 96.09 33.75588 -23.799343 12.528854 1 3076 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 93.36 34.125664 -22.32233 12.533063 1 3077 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 91.41 35.271324 -22.08809 13.514582 1 3078 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 90.23 34.50689 -21.875687 11.133282 1 3079 +ATOM N N . SER B0 2 182 . 182 SER B0 N 96.09 33.036743 -26.514286 11.21896 1 3080 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 96.09 33.085136 -27.94159 11.481089 1 3081 +ATOM C C . SER B0 2 182 . 182 SER B0 C 96.48 33.94217 -28.141891 12.7268505 1 3082 +ATOM O O . SER B0 2 182 . 182 SER B0 O 96.09 34.75807 -27.277893 13.073851 1 3083 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 95.31 33.69726 -28.694374 10.296848 1 3084 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 93.36 35.068275 -28.36724 10.152036 1 3085 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 96.09 33.775352 -29.263933 13.401262 1 3086 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 95.7 34.581146 -29.552597 14.582488 1 3087 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 96.09 36.070175 -29.545197 14.229717 1 3088 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 95.7 36.89674 -29.00813 14.970171 1 3089 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 95.7 34.194435 -30.901205 15.190754 1 3090 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 93.75 35.058716 -31.31765 16.379278 1 3091 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 92.58 34.68993 -32.71788 16.8517 1 3092 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 89.84 35.59819 -33.16277 17.997654 1 3093 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 86.33 35.279984 -34.54755 18.440197 1 3094 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 95.7 36.404305 -30.134388 13.06967 1 3095 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 95.7 37.794823 -30.208778 12.632393 1 3096 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 95.7 38.4032 -28.82056 12.452735 1 3097 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 95.31 39.5207 -28.564026 12.900561 1 3098 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 95.31 37.899307 -31.000427 11.3349 1 3099 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 96.09 37.655975 -27.913086 11.79823 1 3100 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 96.09 38.15175 -26.552977 11.597296 1 3101 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 96.09 38.255775 -25.810158 12.925159 1 3102 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 95.7 39.209164 -25.060028 13.13765 1 3103 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 95.31 37.239594 -25.779331 10.64201 1 3104 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 91.8 37.465324 -26.153301 9.182746 1 3105 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 89.84 38.51045 -26.7694 8.874111 1 3106 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 88.28 36.594524 -25.824295 8.35466 1 3107 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 96.09 37.27028 -25.99622 13.788141 1 3108 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 96.48 37.2732 -25.330482 15.089139 1 3109 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 95.7 38.512497 -25.704914 15.9046955 1 3110 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 95.7 39.128254 -24.847198 16.547329 1 3111 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 96.09 36.00071 -25.677265 15.867029 1 3112 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 95.7 35.976295 -25.121199 17.279072 1 3113 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 92.97 36.088005 -25.971098 18.381838 1 3114 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 92.58 35.833656 -23.751545 17.50509 1 3115 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 92.58 36.062992 -25.467508 19.666 1 3116 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 92.97 35.812218 -23.24539 18.79445 1 3117 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 94.92 35.92545 -24.106186 19.866161 1 3118 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 94.53 35.904877 -23.602581 21.147999 1 3119 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 96.09 38.88632 -26.98534 15.856703 1 3120 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 95.7 40.008892 -27.477757 16.648972 1 3121 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 96.09 41.379543 -27.135017 16.04932 1 3122 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 94.92 42.403122 -27.399477 16.671612 1 3123 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 95.31 39.874607 -28.985193 16.860355 1 3124 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 92.58 38.679512 -29.32316 17.750988 1 3125 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 90.23 38.542156 -30.796146 18.06655 1 3126 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 87.5 37.83596 -31.126064 19.042786 1 3127 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 87.11 39.123505 -31.626102 17.33567 1 3128 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 95.7 41.398476 -26.548138 14.8484535 1 3129 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 95.31 42.656067 -26.131596 14.225285 1 3130 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 95.31 43.08044 -24.733982 14.646799 1 3131 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 94.14 44.194004 -24.305767 14.3345585 1 3132 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 94.92 42.536293 -26.171715 12.69769 1 3133 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 92.19 42.479225 -27.569267 12.12277 1 3134 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 89.45 42.400295 -27.515778 10.605114 1 3135 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 85.94 42.33984 -28.914196 10.030917 1 3136 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 82.03 42.216564 -28.895876 8.564478 1 3137 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 96.09 42.209637 -24.005955 15.332207 1 3138 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 96.09 42.49653 -22.625038 15.707256 1 3139 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 96.09 42.34175 -22.415474 17.203213 1 3140 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 94.92 41.699135 -23.207294 17.900404 1 3141 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 95.7 41.57457 -21.667507 14.937229 1 3142 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 94.92 41.67267 -21.845348 13.458469 1 3143 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 89.45 42.685555 -21.270487 12.714522 1 3144 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 88.67 40.91784 -22.543556 12.591492 1 3145 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 89.45 42.539288 -21.621197 11.448954 1 3146 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 90.23 41.470592 -22.387066 11.343957 1 3147 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 95.7 42.910084 -21.30469 17.70254 1 3148 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 95.31 42.92461 -21.040272 19.131908 1 3149 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 96.09 42.043682 -19.860561 19.554075 1 3150 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 95.31 41.171516 -20.01492 20.408892 1 3151 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 94.53 44.360924 -20.784687 19.607605 1 3152 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 91.02 44.45711 -20.436344 21.096767 1 3153 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 88.28 45.911644 -20.179085 21.494259 1 3154 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 84.77 45.99311 -19.747719 22.967857 1 3155 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 81.64 47.386276 -19.452045 23.366789 1 3156 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 96.48 42.261627 -18.675232 18.945734 1 3157 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 96.48 41.575317 -17.464315 19.378216 1 3158 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 96.48 40.31929 -17.190655 18.554333 1 3159 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 96.09 40.384235 -17.055103 17.32711 1 3160 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 95.31 42.514236 -16.237988 19.328915 1 3161 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 92.97 41.81485 -15.006611 19.87344 1 3162 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 92.19 43.79104 -16.517048 20.114939 1 3163 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 96.48 39.18502 -17.102505 19.236 1 3164 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 96.48 37.90213 -16.789028 18.610283 1 3165 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 96.09 37.41227 -15.464867 19.176912 1 3166 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 95.7 37.30576 -15.307014 20.393167 1 3167 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 96.48 36.88723 -17.910778 18.865158 1 3168 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 96.48 37.246902 -19.163239 18.103304 1 3169 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 94.53 38.168427 -20.059978 18.614754 1 3170 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 93.75 36.714645 -19.405127 16.846968 1 3171 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 93.36 38.545868 -21.182955 17.894379 1 3172 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 93.75 37.082134 -20.52566 16.11971 1 3173 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 95.31 38.00125 -21.408422 16.651985 1 3174 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 94.92 38.38073 -22.506939 15.932954 1 3175 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 97.27 37.13138 -14.512344 18.278353 1 3176 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 96.48 36.754147 -13.179811 18.721266 1 3177 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 96.88 35.626053 -12.583563 17.885145 1 3178 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 96.09 35.530586 -12.829453 16.685017 1 3179 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 96.09 37.966187 -12.247766 18.68935 1 3180 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 97.27 34.726974 -11.822695 18.553637 1 3181 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 96.88 33.71188 -11.052067 17.845951 1 3182 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 96.88 33.980698 -9.588169 18.176285 1 3183 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 96.09 34.13525 -9.2121 19.346853 1 3184 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 95.7 32.286125 -11.451838 18.238213 1 3185 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 93.36 31.778048 -11.112469 19.920475 1 3186 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 97.66 34.088013 -8.749678 17.117622 1 3187 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 97.27 34.362442 -7.324582 17.265558 1 3188 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 97.27 33.08789 -6.540718 16.960701 1 3189 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 96.88 32.48288 -6.7196674 15.901022 1 3190 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 96.48 35.49192 -6.894664 16.32974 1 3191 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 93.75 35.90329 -5.442258 16.487911 1 3192 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 92.58 36.9983 -5.053082 15.513606 1 3193 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 89.45 38.170486 -4.952724 15.935982 1 3194 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 88.67 36.674263 -4.8758736 14.324116 1 3195 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 97.27 32.69481 -5.688785 17.888514 1 3196 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 97.27 31.43332 -4.9706717 17.781635 1 3197 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 97.27 31.652096 -3.4710412 17.600266 1 3198 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 96.88 32.401985 -2.8482919 18.354866 1 3199 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 97.27 30.556644 -5.2219505 19.029148 1 3200 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 92.97 29.275124 -4.392934 18.964653 1 3201 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 92.58 30.229591 -6.7011404 19.15092 1 3202 +ATOM N N . THR B0 2 197 . 197 THR B0 N 97.27 30.964428 -2.9099364 16.583187 1 3203 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 97.27 30.990032 -1.4768773 16.32882 1 3204 +ATOM C C . THR B0 2 197 . 197 THR B0 C 97.27 29.568623 -0.9503351 16.520638 1 3205 +ATOM O O . THR B0 2 197 . 197 THR B0 O 96.88 28.618643 -1.5116429 15.979935 1 3206 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 96.48 31.478634 -1.1678727 14.905371 1 3207 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 93.36 32.791275 -1.7186449 14.730132 1 3208 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 92.19 31.52246 0.3315684 14.64929 1 3209 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 96.88 29.422825 0.12482145 17.297546 1 3210 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 96.48 28.111595 0.70564306 17.588528 1 3211 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 96.48 28.282713 2.1671848 17.977388 1 3212 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 96.09 29.318714 2.5532184 18.523565 1 3213 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 96.48 27.410643 -0.06451677 18.715523 1 3214 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 96.88 26.02239 0.40759578 18.990005 1 3215 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 92.97 25.719082 1.2959119 20.003218 1 3216 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 92.58 24.850323 0.11530827 18.380732 1 3217 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 92.58 24.423193 1.5296222 19.99272 1 3218 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 92.97 23.869629 0.8274529 19.026741 1 3219 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 96.48 27.266949 2.975651 17.685148 1 3220 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 95.7 27.300615 4.41327 17.959965 1 3221 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 96.09 27.594301 4.7192287 19.433773 1 3222 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 95.31 28.239914 5.7252827 19.748041 1 3223 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 95.31 25.96946 5.046938 17.550228 1 3224 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 92.19 25.90529 6.549918 17.78687 1 3225 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 90.23 24.56289 7.1315856 17.398129 1 3226 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 86.72 23.80553 6.515623 16.648811 1 3227 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 84.77 24.255009 8.324028 17.898598 1 3228 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 96.48 27.122738 3.8514304 20.32548 1 3229 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 95.7 27.322922 4.0519886 21.752617 1 3230 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 95.7 28.704643 3.6833148 22.25732 1 3231 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 94.92 29.002705 3.88172 23.437416 1 3232 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 96.09 29.557518 3.160398 21.365726 1 3233 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 95.7 30.919785 2.7769737 21.72281 1 3234 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 95.31 31.905617 3.7460399 21.08311 1 3235 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 94.53 31.825083 4.013604 19.885403 1 3236 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 95.7 31.221292 1.3502971 21.246513 1 3237 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 95.31 30.330559 0.23479693 21.800453 1 3238 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 93.75 30.590027 -1.0708764 21.045702 1 3239 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 92.97 30.561611 0.048110276 23.292103 1 3240 +ATOM N N . SER B0 2 202 . 202 SER B0 N 95.31 32.816284 4.2883625 21.876698 1 3241 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 94.92 33.797585 5.236798 21.358545 1 3242 +ATOM C C . SER B0 2 202 . 202 SER B0 C 95.31 34.774204 4.562348 20.400871 1 3243 +ATOM O O . SER B0 2 202 . 202 SER B0 O 93.75 35.336967 5.227268 19.523125 1 3244 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 93.75 34.55744 5.890519 22.506266 1 3245 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 89.84 35.2349 4.937105 23.295368 1 3246 +ATOM N N . SER B0 2 203 . 203 SER B0 N 95.7 34.96889 3.266414 20.566078 1 3247 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 95.7 35.809525 2.4651341 19.67949 1 3248 +ATOM C C . SER B0 2 203 . 203 SER B0 C 95.7 35.28522 1.0389683 19.684849 1 3249 +ATOM O O . SER B0 2 203 . 203 SER B0 O 94.92 34.55714 0.6475071 20.597853 1 3250 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 94.92 37.27527 2.4959135 20.13737 1 3251 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 90.23 37.417137 1.9642769 21.440996 1 3252 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 96.09 35.593666 0.25698993 18.6374 1 3253 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 96.09 35.100082 -1.122016 18.59719 1 3254 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 96.09 35.504105 -1.9138806 19.836395 1 3255 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 95.31 36.60173 -1.7370409 20.360743 1 3256 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 95.7 35.75112 -1.6867678 17.330475 1 3257 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 94.14 35.958256 -0.4898149 16.45999 1 3258 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 94.92 36.344734 0.6045516 17.423885 1 3259 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 95.7 34.57115 -2.760066 20.302265 1 3260 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 95.7 34.81345 -3.6162071 21.460052 1 3261 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 96.48 34.966167 -5.0511417 20.975737 1 3262 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 96.09 34.178062 -5.518882 20.147701 1 3263 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 94.92 33.660004 -3.5189943 22.483416 1 3264 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 92.58 33.782276 -4.6219635 23.540382 1 3265 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 91.8 33.662926 -2.1524448 23.146645 1 3266 +ATOM N N . THR B0 2 206 . 206 THR B0 N 95.31 35.97864 -5.7462077 21.498121 1 3267 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 95.31 36.217575 -7.133931 21.120926 1 3268 +ATOM C C . THR B0 2 206 . 206 THR B0 C 94.92 36.093575 -8.042677 22.338287 1 3269 +ATOM O O . THR B0 2 206 . 206 THR B0 O 94.14 36.666756 -7.760682 23.38808 1 3270 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 95.31 37.61715 -7.3047338 20.497896 1 3271 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 92.97 37.704872 -6.5342536 19.301651 1 3272 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 91.8 37.888065 -8.773032 20.160309 1 3273 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 95.7 35.31215 -9.109168 22.18354 1 3274 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 95.7 35.20781 -10.160809 23.195858 1 3275 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 95.7 35.779377 -11.417142 22.566849 1 3276 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 95.7 35.48745 -11.723677 21.409359 1 3277 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 94.92 33.76329 -10.391182 23.62423 1 3278 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 92.19 33.170845 -9.239883 24.442856 1 3279 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 89.45 33.80792 -9.145376 25.818525 1 3280 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 87.11 33.162445 -8.022797 26.631039 1 3281 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 83.98 33.754845 -7.912169 27.978195 1 3282 +ATOM N N . SER B0 2 208 . 208 SER B0 N 94.53 36.616016 -12.146101 23.325096 1 3283 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 94.53 37.269882 -13.321385 22.756765 1 3284 +ATOM C C . SER B0 2 208 . 208 SER B0 C 94.14 37.51088 -14.398007 23.809975 1 3285 +ATOM O O . SER B0 2 208 . 208 SER B0 O 93.36 37.381874 -14.15092 25.010704 1 3286 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 94.14 38.606834 -12.927362 22.110935 1 3287 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 90.23 39.517273 -12.451699 23.081038 1 3288 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 94.53 37.85871 -15.582518 23.33606 1 3289 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 94.14 38.244965 -16.683828 24.212713 1 3290 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 93.75 39.27939 -17.540037 23.490849 1 3291 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 93.36 39.392662 -17.49123 22.25874 1 3292 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 94.53 37.03668 -17.53666 24.636303 1 3293 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 94.14 36.403 -18.334217 23.520527 1 3294 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 93.36 35.34574 -17.816147 22.79904 1 3295 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 92.58 36.862015 -19.602291 23.197237 1 3296 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 92.19 34.75276 -18.54515 21.774353 1 3297 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 92.19 36.279446 -20.334038 22.17294 1 3298 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 93.36 35.225815 -19.810247 21.46214 1 3299 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 94.14 40.024628 -18.289259 24.26922 1 3300 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 93.75 40.988922 -19.23883 23.720516 1 3301 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 93.36 40.40323 -20.634638 23.853903 1 3302 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 91.8 39.998352 -21.031155 24.955158 1 3303 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 92.58 42.323933 -19.16211 24.474651 1 3304 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 90.62 43.027508 -17.835625 24.297136 1 3305 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 87.5 42.834793 -17.156504 23.294306 1 3306 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 86.33 43.860172 -17.456459 25.261185 1 3307 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 92.97 40.326897 -21.377823 22.738968 1 3308 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 92.19 39.742825 -22.717113 22.738022 1 3309 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 91.02 40.435905 -23.599373 23.778126 1 3310 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 87.89 41.665077 -23.680674 23.819038 1 3311 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 91.41 39.84932 -23.360668 21.347221 1 3312 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 90.23 39.24754 -24.75546 21.26882 1 3313 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 89.84 39.475315 -25.400742 19.904112 1 3314 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 89.06 40.878067 -25.358814 19.50415 1 3315 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 89.06 41.804184 -26.182945 19.960789 1 3316 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 87.11 43.05705 -26.07086 19.534462 1 3317 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 87.5 41.486816 -27.128407 20.818272 1 3318 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 87.5 39.64691 -24.226671 24.619036 1 3319 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 85.55 40.15623 -25.133621 25.629625 1 3320 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 84.38 40.59473 -24.480982 26.931149 1 3321 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 79.3 41.01235 -25.188866 27.85664 1 3322 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 81.25 40.505146 -23.173435 27.017714 1 3323 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 79.3 40.908062 -22.481619 28.231413 1 3324 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 78.12 39.685513 -21.951668 28.997849 1 3325 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 73.83 38.5719 -21.950804 28.482712 1 3326 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 75.78 41.83299 -21.296951 27.90114 1 3327 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 71.48 43.133064 -21.739382 27.269474 1 3328 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 69.14 44.043533 -20.567184 26.954447 1 3329 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 66.02 45.107178 -20.790375 26.357006 1 3330 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 65.62 43.706703 -19.413685 27.2988 1 3331 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 65.23 39.839615 -21.508362 30.119244 1 3332 +ATOM N N . SER C0 3 1 . 1 SER C0 N 69.14 -36.26899 22.941046 10.101897 1 3333 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 69.92 -35.590412 23.294247 8.852926 1 3334 +ATOM C C . SER C0 3 1 . 1 SER C0 C 71.88 -35.341072 24.794605 8.758959 1 3335 +ATOM O O . SER C0 3 1 . 1 SER C0 O 69.14 -36.100502 25.59511 9.315717 1 3336 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 66.8 -36.41557 22.844612 7.6546755 1 3337 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 62.89 -36.54009 21.436476 7.6080027 1 3338 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 80.47 -34.268158 25.146568 8.078579 1 3339 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 80.47 -33.94711 26.552074 7.8840847 1 3340 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 79.69 -34.926163 27.17131 6.893035 1 3341 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 76.95 -35.417305 26.493198 5.9832535 1 3342 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 78.91 -32.51593 26.713951 7.357887 1 3343 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 76.95 -31.375673 26.268936 8.285446 1 3344 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 75.39 -30.036652 26.452295 7.5843167 1 3345 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 73.83 -31.406109 27.021013 9.597859 1 3346 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 82.03 -35.184803 28.469505 7.0481014 1 3347 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 82.03 -36.040672 29.199501 6.1225204 1 3348 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 82.81 -35.459038 30.587505 5.8941307 1 3349 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 80.08 -34.369614 30.90947 6.393402 1 3350 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 78.91 -37.478317 29.288713 6.660281 1 3351 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 74.61 -37.58113 29.911171 8.043112 1 3352 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 71.48 -36.62182 30.566967 8.4931555 1 3353 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 69.53 -38.638153 29.748184 8.669739 1 3354 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 81.25 -36.163063 31.442345 5.1210957 1 3355 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 81.25 -35.65416 32.765602 4.786648 1 3356 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 82.42 -35.41706 33.6388 6.0240765 1 3357 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 79.69 -34.531063 34.4964 6.018629 1 3358 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 78.12 -36.62456 33.484436 3.8376288 1 3359 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 73.05 -36.683075 32.854195 2.4587283 1 3360 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 69.92 -37.56742 33.637974 1.4956815 1 3361 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 66.41 -37.68818 33.231636 0.33516517 1 3362 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 65.23 -38.153053 34.671394 1.9102263 1 3363 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 84.77 -36.18683 33.397083 7.0801525 1 3364 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 85.55 -36.050434 34.193317 8.290034 1 3365 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 87.11 -34.766777 33.875443 9.044765 1 3366 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 85.16 -34.112694 34.78105 9.579451 1 3367 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 82.81 -37.259888 33.96644 9.215412 1 3368 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 77.34 -37.18612 34.71289 10.538223 1 3369 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 74.22 -38.431767 34.49096 11.368398 1 3370 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 69.92 -38.314026 35.1261 12.74307 1 3371 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 66.41 -38.163475 36.599686 12.65691 1 3372 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 87.89 -34.351753 32.6117 9.05144 1 3373 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 88.67 -33.203583 32.181675 9.836826 1 3374 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 89.84 -31.986454 31.76525 9.0035095 1 3375 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 88.28 -31.032257 31.20678 9.545788 1 3376 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 86.33 -33.616943 31.024197 10.759478 1 3377 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 82.81 -34.735405 31.408348 11.712057 1 3378 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 79.3 -34.61016 32.377968 12.4524975 1 3379 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 77.34 -35.83439 30.660776 11.704863 1 3380 +ATOM N N . SER C0 3 7 . 7 SER C0 N 90.62 -32.01021 32.06185 7.695357 1 3381 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 91.41 -30.89996 31.642006 6.840908 1 3382 +ATOM C C . SER C0 3 7 . 7 SER C0 C 92.19 -30.664341 32.620995 5.69352 1 3383 +ATOM O O . SER C0 3 7 . 7 SER C0 O 91.02 -31.495686 33.484306 5.4148245 1 3384 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 90.23 -31.159973 30.243876 6.28596 1 3385 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 87.89 -32.27253 30.25048 5.4218245 1 3386 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 92.58 -29.519371 32.45013 5.040409 1 3387 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 92.97 -29.165783 33.22223 3.8610342 1 3388 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 93.75 -29.083582 32.23771 2.6941748 1 3389 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 93.36 -28.468327 31.164528 2.8232493 1 3390 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 91.41 -27.813623 33.948288 4.0450687 1 3391 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 87.11 -27.403248 34.647312 2.760494 1 3392 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 85.55 -27.897308 34.945595 5.1950083 1 3393 +ATOM N N . SER C0 3 9 . 9 SER C0 N 92.97 -29.70318 32.571434 1.5684748 1 3394 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 92.97 -29.702408 31.709446 0.396025 1 3395 +ATOM C C . SER C0 3 9 . 9 SER C0 C 93.75 -28.537096 32.070442 -0.5263884 1 3396 +ATOM O O . SER C0 3 9 . 9 SER C0 O 92.97 -28.32983 33.24602 -0.83863163 1 3397 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 92.19 -31.027988 31.832127 -0.35330915 1 3398 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 87.5 -31.063194 30.962776 -1.4649552 1 3399 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 94.14 -27.762184 31.064724 -0.9380846 1 3400 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 94.14 -26.619751 31.271301 -1.822071 1 3401 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 94.53 -26.83381 30.455278 -3.0966692 1 3402 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 93.36 -27.067183 29.241013 -3.0244176 1 3403 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 93.75 -25.295582 30.850191 -1.1406072 1 3404 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 91.02 -24.124966 31.020935 -2.091682 1 3405 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 89.84 -25.071896 31.651972 0.1417577 1 3406 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 94.14 -26.746292 31.119385 -4.261687 1 3407 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 93.75 -26.895046 30.436092 -5.548072 1 3408 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 94.14 -25.619335 29.659962 -5.8751354 1 3409 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 93.36 -24.50688 30.170088 -5.6849794 1 3410 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 92.19 -27.190481 31.44386 -6.6596026 1 3411 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 87.89 -28.573442 32.05911 -6.5436106 1 3412 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 84.77 -29.503868 31.348452 -6.110814 1 3413 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 82.81 -28.727516 33.242306 -6.892971 1 3414 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 94.53 -25.77955 28.445456 -6.3622394 1 3415 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 94.53 -24.660507 27.570995 -6.68931 1 3416 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 93.75 -24.715431 27.136168 -8.151946 1 3417 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 92.58 -25.772552 27.180676 -8.775896 1 3418 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 94.53 -24.683914 26.320623 -5.807261 1 3419 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 93.75 -24.624355 26.52314 -4.296163 1 3420 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 92.58 -24.891224 25.197937 -3.5969663 1 3421 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 91.41 -23.278381 27.099485 -3.8898084 1 3422 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 93.75 -23.56783 26.693096 -8.70665 1 3423 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 93.36 -23.57862 26.139149 -10.061821 1 3424 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 92.58 -24.502522 24.92075 -10.112883 1 3425 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 90.62 -24.672031 24.224396 -9.106461 1 3426 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 92.58 -22.117767 25.745525 -10.300783 1 3427 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 91.8 -21.331738 26.634693 -9.380153 1 3428 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 92.19 -22.197065 26.770191 -8.160748 1 3429 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 89.84 -25.097666 24.664238 -11.279166 1 3430 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 88.67 -25.96659 23.510998 -11.421336 1 3431 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 88.67 -27.405666 23.780773 -11.025175 1 3432 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 86.33 -28.146267 22.834545 -10.73554 1 3433 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 89.06 -27.793331 25.064981 -11.031307 1 3434 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 88.67 -29.147741 25.477482 -10.667485 1 3435 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 89.84 -29.571093 24.926563 -9.302622 1 3436 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 88.28 -30.636515 24.348446 -9.133208 1 3437 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 85.94 -30.14574 25.046373 -11.747168 1 3438 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 80.08 -29.859543 25.670805 -13.096923 1 3439 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 75.0 -30.88193 25.30151 -14.152254 1 3440 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 70.7 -30.775043 25.818047 -15.281906 1 3441 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 68.36 -31.791967 24.499786 -13.868437 1 3442 +ATOM N N . MET C0 3 16 . 16 MET C0 N 92.97 -28.661484 25.091291 -8.338902 1 3443 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 92.97 -28.920952 24.683638 -6.9642053 1 3444 +ATOM C C . MET C0 3 16 . 16 MET C0 C 93.36 -28.761637 25.883575 -6.04895 1 3445 +ATOM O O . MET C0 3 16 . 16 MET C0 O 91.8 -28.138334 26.887047 -6.4066715 1 3446 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 91.41 -27.956028 23.567316 -6.526064 1 3447 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 88.28 -28.194342 22.23655 -7.210848 1 3448 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 85.94 -27.123228 20.933825 -6.562351 1 3449 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 81.64 -25.545109 21.46271 -7.2199373 1 3450 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 92.97 -29.325596 25.779566 -4.865573 1 3451 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 92.97 -29.181398 26.811102 -3.8424711 1 3452 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 93.75 -28.883636 26.139465 -2.5139952 1 3453 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 93.36 -29.36615 25.035955 -2.2435818 1 3454 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 91.8 -30.46319 27.651386 -3.7103982 1 3455 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 87.89 -30.800575 28.47446 -4.938251 1 3456 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 85.16 -32.06829 29.291662 -4.709327 1 3457 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 79.69 -32.417225 30.112389 -5.94265 1 3458 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 75.39 -33.644226 30.896406 -5.731851 1 3459 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 94.14 -28.07103 26.801008 -1.7004956 1 3460 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 94.53 -27.790058 26.28635 -0.36467212 1 3461 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 94.92 -28.25403 27.328384 0.64791614 1 3462 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 94.14 -28.053963 28.536203 0.45420033 1 3463 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 94.14 -26.28513 25.9509 -0.16854586 1 3464 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 91.8 -26.051584 25.327263 1.2144094 1 3465 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 90.23 -25.411667 27.18821 -0.34373266 1 3466 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 94.53 -28.908672 26.88802 1.7011303 1 3467 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 94.53 -29.32045 27.767372 2.7848206 1 3468 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 94.92 -28.269087 27.680105 3.8844113 1 3469 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 94.14 -27.91016 26.578539 4.313343 1 3470 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 93.75 -30.688679 27.349731 3.340189 1 3471 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 90.62 -31.877998 27.432388 2.383565 1 3472 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 88.67 -33.144875 26.97558 3.0986671 1 3473 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 87.11 -32.041634 28.844563 1.8407576 1 3474 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 94.53 -27.767378 28.840908 4.3179526 1 3475 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 94.53 -26.755747 28.91617 5.364852 1 3476 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 94.14 -27.374132 29.584433 6.59006 1 3477 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 92.97 -27.961912 30.669605 6.4791965 1 3478 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 94.14 -25.518215 29.72067 4.904852 1 3479 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 92.58 -24.424158 29.670986 5.9646072 1 3480 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 91.41 -25.008331 29.194939 3.56672 1 3481 +ATOM N N . SER C0 3 21 . 21 SER C0 N 94.14 -27.239658 28.952341 7.752105 1 3482 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 93.75 -27.800282 29.522245 8.96932 1 3483 +ATOM C C . SER C0 3 21 . 21 SER C0 C 93.36 -27.13565 30.861656 9.283539 1 3484 +ATOM O O . SER C0 3 21 . 21 SER C0 O 92.58 -25.930256 31.030361 9.083358 1 3485 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 92.97 -27.627972 28.556559 10.152441 1 3486 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 90.23 -26.257992 28.342327 10.451469 1 3487 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 92.97 -27.929192 31.822014 9.750687 1 3488 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 92.58 -27.400024 33.136623 10.100975 1 3489 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 92.97 -26.504797 33.088837 11.331934 1 3490 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 91.8 -25.58884 33.902565 11.474234 1 3491 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 91.41 -28.549854 34.11805 10.329294 1 3492 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 87.89 -29.316078 34.467392 9.058058 1 3493 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 84.77 -30.438778 35.45542 9.355899 1 3494 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 80.86 -31.195808 35.814148 8.077535 1 3495 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 76.95 -32.317352 36.734917 8.352757 1 3496 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 91.8 -26.780964 32.13716 12.241441 1 3497 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 91.02 -26.004221 32.002045 13.468683 1 3498 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 91.8 -25.359879 30.622147 13.555679 1 3499 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 90.62 -25.878918 29.650429 12.996504 1 3500 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 89.84 -26.891808 32.23069 14.697819 1 3501 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 84.77 -27.544582 33.611465 14.719708 1 3502 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 81.64 -28.46674 33.80208 15.899754 1 3503 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 77.73 -28.97456 34.924194 16.092247 1 3504 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 76.17 -28.68999 32.832443 16.66248 1 3505 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 92.97 -24.223904 30.550411 14.263056 1 3506 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 92.58 -23.542223 29.275387 14.475225 1 3507 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 92.19 -24.345818 28.400604 15.432522 1 3508 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 91.02 -25.070738 28.9163 16.30178 1 3509 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 92.19 -22.129707 29.49581 15.030736 1 3510 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 90.62 -21.151268 30.08421 14.027147 1 3511 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 89.06 -19.752579 30.186287 14.637299 1 3512 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 85.94 -18.750772 30.684122 13.603544 1 3513 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 82.81 -17.38838 30.775604 14.1696415 1 3514 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 92.58 -24.188295 27.07003 15.277538 1 3515 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 91.8 -24.876484 26.150946 16.169165 1 3516 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 92.19 -24.061459 25.962595 17.44903 1 3517 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 90.62 -23.069372 26.661655 17.663599 1 3518 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 91.02 -25.14152 24.802086 15.475117 1 3519 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 90.23 -23.875729 24.10955 15.004511 1 3520 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 87.89 -22.801102 24.27473 15.592048 1 3521 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 86.72 -23.986786 23.312801 13.95131 1 3522 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 92.19 -24.476858 25.055174 18.31591 1 3523 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 92.19 -23.804552 24.83771 19.586391 1 3524 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 92.58 -22.359385 24.372213 19.430637 1 3525 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 91.02 -21.565212 24.490643 20.367992 1 3526 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 91.02 -24.577053 23.815578 20.422802 1 3527 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 86.72 -24.606625 22.419155 19.81597 1 3528 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 83.59 -25.345682 21.442356 20.723923 1 3529 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 79.69 -25.35603 20.049156 20.123466 1 3530 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 75.78 -26.040094 19.088394 21.011183 1 3531 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 92.97 -21.999802 23.84195 18.247725 1 3532 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 92.58 -20.642426 23.389141 17.98239 1 3533 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 93.36 -19.788166 24.462969 17.296654 1 3534 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 92.58 -18.664125 24.184998 16.884953 1 3535 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 91.41 -20.663609 22.123493 17.116306 1 3536 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 89.06 -21.383121 20.970016 17.789331 1 3537 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 86.72 -21.155945 20.754406 19.00013 1 3538 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 85.16 -22.178452 20.289242 17.110395 1 3539 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 93.75 -20.316696 25.68235 17.19629 1 3540 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 93.75 -19.586884 26.775288 16.58702 1 3541 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 94.14 -19.470196 26.69155 15.078888 1 3542 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 93.75 -18.517447 27.2216 14.495442 1 3543 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 94.53 -20.428825 26.03928 14.429575 1 3544 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 94.53 -20.420666 25.88914 12.972982 1 3545 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 94.92 -21.737806 26.373625 12.378673 1 3546 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 94.14 -22.76213 26.423454 13.0702305 1 3547 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 94.14 -20.174225 24.429073 12.5815735 1 3548 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 92.19 -18.818653 23.895092 13.023605 1 3549 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 90.23 -18.630451 22.448053 12.588367 1 3550 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 86.33 -17.27213 21.920382 13.021177 1 3551 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 82.81 -17.07526 20.521818 12.606985 1 3552 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 94.53 -21.700329 26.714832 11.084697 1 3553 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 94.92 -22.902231 27.13538 10.379824 1 3554 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 95.31 -23.601612 25.919434 9.788929 1 3555 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 94.53 -22.94294 25.014296 9.2645445 1 3556 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 94.53 -22.562365 28.129477 9.267677 1 3557 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 93.75 -22.01057 29.44115 9.786411 1 3558 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 91.8 -20.637707 29.651562 9.881603 1 3559 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 91.02 -22.861357 30.463947 10.1778 1 3560 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 89.84 -20.129469 30.843159 10.36585 1 3561 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 90.23 -22.359022 31.661697 10.668535 1 3562 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 91.02 -20.993624 31.842976 10.757889 1 3563 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 90.62 -20.493187 33.024643 11.245539 1 3564 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 94.53 -24.913818 25.899044 9.870325 1 3565 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 94.53 -25.696943 24.803215 9.3052435 1 3566 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 94.92 -25.956059 25.073065 7.824292 1 3567 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 94.53 -26.241962 26.209026 7.430648 1 3568 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 93.75 -27.031433 24.656036 10.037365 1 3569 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 91.02 -26.856876 24.186611 11.46439 1 3570 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 87.89 -26.018696 23.291466 11.697231 1 3571 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 86.72 -27.557531 24.714916 12.35003 1 3572 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 94.53 -25.828266 24.034924 6.9976854 1 3573 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 94.92 -26.063694 24.123528 5.564482 1 3574 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 94.92 -27.189964 23.16945 5.17758 1 3575 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 94.14 -27.224392 22.029266 5.648189 1 3576 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 94.92 -24.800945 23.751495 4.775268 1 3577 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 94.53 -23.493622 24.479195 5.10705 1 3578 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 92.97 -22.356295 23.888855 4.280914 1 3579 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 91.8 -23.623283 25.9715 4.860503 1 3580 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 94.14 -28.096283 23.63206 4.311409 1 3581 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 94.53 -29.174492 22.788465 3.810735 1 3582 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 94.53 -29.339859 23.059872 2.3134222 1 3583 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 94.14 -29.359854 24.217333 1.8904157 1 3584 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 92.97 -30.511515 23.059212 4.53413 1 3585 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 91.02 -30.403896 22.694717 6.0182624 1 3586 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 90.62 -31.642641 22.24991 3.878667 1 3587 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 84.77 -31.678339 22.960503 6.810339 1 3588 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 94.14 -29.403019 22.001698 1.5242507 1 3589 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 94.14 -29.623087 22.125538 0.089198135 1 3590 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 94.14 -30.574842 21.022663 -0.35966533 1 3591 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 93.75 -30.590506 19.93782 0.21648127 1 3592 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 94.14 -28.305916 22.033358 -0.68021655 1 3593 +ATOM N N . THR C0 3 35 . 35 THR C0 N 92.97 -31.381306 21.316166 -1.3744855 1 3594 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 92.19 -32.301117 20.32267 -1.9156007 1 3595 +ATOM C C . THR C0 3 35 . 35 THR C0 C 92.58 -31.844067 19.95261 -3.3245888 1 3596 +ATOM O O . THR C0 3 35 . 35 THR C0 O 91.8 -31.727985 20.816256 -4.194033 1 3597 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 91.41 -33.73992 20.861362 -1.9531415 1 3598 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 87.89 -34.150475 21.20249 -0.62375593 1 3599 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 86.72 -34.695488 19.81688 -2.5204487 1 3600 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 92.97 -31.550133 18.67709 -3.5411954 1 3601 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 92.58 -31.09415 18.170128 -4.82779 1 3602 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 92.19 -31.989944 16.9954 -5.208219 1 3603 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 90.62 -32.09533 16.028618 -4.445636 1 3604 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 91.8 -29.620342 17.722607 -4.7718916 1 3605 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 89.45 -29.185257 17.168688 -6.1224203 1 3606 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 88.28 -28.718494 18.893148 -4.365851 1 3607 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 89.45 -32.63275 17.084764 -6.3739824 1 3608 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 88.67 -33.534187 16.044209 -6.8492737 1 3609 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 89.45 -34.57376 15.701448 -5.776496 1 3610 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 87.5 -34.842575 14.53196 -5.484516 1 3611 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 86.72 -32.73972 14.792728 -7.2586985 1 3612 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 83.2 -33.57745 13.796349 -8.033638 1 3613 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 79.69 -34.54613 14.218765 -8.700896 1 3614 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 77.34 -33.257553 12.585451 -7.983259 1 3615 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 90.62 -35.136322 16.73515 -5.1774154 1 3616 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 90.23 -36.164772 16.64381 -4.149946 1 3617 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 91.41 -35.691143 15.9693775 -2.8603222 1 3618 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 89.84 -36.506546 15.576769 -2.0300436 1 3619 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 88.28 -37.413612 15.93337 -4.691309 1 3620 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 83.2 -38.050976 16.645369 -5.8759794 1 3621 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 78.91 -39.305504 15.92425 -6.3461075 1 3622 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 74.22 -39.91412 16.64215 -7.5483317 1 3623 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 69.53 -41.12421 15.940665 -8.03141 1 3624 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 93.36 -34.379997 15.83296 -2.692796 1 3625 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 93.36 -33.81363 15.268411 -1.4723492 1 3626 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 93.75 -33.114212 16.3736 -0.69065934 1 3627 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 92.58 -32.297096 17.11118 -1.2537796 1 3628 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 92.97 -32.813675 14.155375 -1.8031862 1 3629 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 91.02 -32.081314 13.538728 -0.5987098 1 3630 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 89.45 -30.92918 12.671192 -1.067419 1 3631 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 88.28 -33.056 12.737221 0.2530651 1 3632 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 93.75 -33.44291 16.49733 0.58930147 1 3633 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 93.75 -32.8011 17.503502 1.4250641 1 3634 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 94.53 -31.473425 16.977158 1.961226 1 3635 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 94.14 -31.422792 15.914015 2.5831954 1 3636 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 92.58 -33.71321 17.898407 2.5949066 1 3637 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 89.06 -33.153408 19.029457 3.4403875 1 3638 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 86.72 -34.11068 19.463274 4.5362573 1 3639 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 83.2 -34.92718 20.37467 4.2984324 1 3640 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 82.03 -34.05356 18.86655 5.6358833 1 3641 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 94.53 -30.394066 17.711306 1.6856091 1 3642 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 94.92 -29.06718 17.371874 2.167258 1 3643 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 94.92 -28.691181 18.336239 3.286802 1 3644 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 94.14 -29.033718 19.517736 3.23287 1 3645 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 95.31 -28.033232 17.465107 1.0408058 1 3646 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 94.92 -28.352562 16.71347 -0.25316876 1 3647 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 93.36 -27.251682 16.946394 -1.2808747 1 3648 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 92.19 -28.536995 15.228284 0.0153207835 1 3649 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 94.92 -27.982466 17.838856 4.288614 1 3650 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 94.92 -27.58627 18.65633 5.427311 1 3651 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 95.31 -26.095356 18.535875 5.705087 1 3652 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 94.92 -25.489239 17.49149 5.469635 1 3653 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 93.75 -28.375637 18.262056 6.681044 1 3654 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 89.45 -29.867428 18.515076 6.5749397 1 3655 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 86.72 -30.5644 18.183323 7.88336 1 3656 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 81.64 -32.056732 18.497677 7.791343 1 3657 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 77.34 -32.744537 18.218056 9.063318 1 3658 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 94.92 -25.525934 19.609993 6.2221103 1 3659 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 94.92 -24.119213 19.624115 6.594268 1 3660 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 95.31 -23.811144 20.833633 7.447524 1 3661 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 94.53 -24.694965 21.637135 7.7564087 1 3662 +ATOM N N . THR C0 3 44 . 44 THR C0 N 94.92 -22.528997 20.952316 7.8697453 1 3663 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 94.92 -22.081821 22.10167 8.645513 1 3664 +ATOM C C . THR C0 3 44 . 44 THR C0 C 95.31 -20.75996 22.605 8.078581 1 3665 +ATOM O O . THR C0 3 44 . 44 THR C0 O 94.53 -20.057682 21.878479 7.367985 1 3666 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 93.75 -21.89426 21.759901 10.1399 1 3667 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 90.23 -20.938597 20.702831 10.270424 1 3668 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 88.67 -23.203571 21.347958 10.7808075 1 3669 +ATOM N N . SER C0 3 45 . 45 SER C0 N 94.92 -20.4356 23.84804 8.382242 1 3670 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 94.92 -19.210644 24.453465 7.8771486 1 3671 +ATOM C C . SER C0 3 45 . 45 SER C0 C 94.92 -18.719109 25.53711 8.827511 1 3672 +ATOM O O . SER C0 3 45 . 45 SER C0 O 94.14 -19.521072 26.187477 9.510223 1 3673 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 94.53 -19.438549 25.048054 6.484437 1 3674 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 92.58 -18.286888 25.725166 6.0239563 1 3675 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 94.53 -17.39193 25.743736 8.861598 1 3676 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 94.14 -16.817293 26.832924 9.647869 1 3677 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 94.53 -16.962452 28.16293 8.910887 1 3678 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 93.75 -16.740162 29.222336 9.493811 1 3679 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 92.97 -15.33197 26.57017 9.9343605 1 3680 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 89.45 -15.118898 25.482943 10.964959 1 3681 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 86.33 -15.862181 25.450935 11.968228 1 3682 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 84.77 -14.187281 24.667362 10.777684 1 3683 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 94.14 -17.317451 28.098383 7.6379604 1 3684 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 94.14 -17.497458 29.296799 6.8199043 1 3685 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 94.53 -18.983929 29.570633 6.6246443 1 3686 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 93.36 -19.790657 28.637829 6.594307 1 3687 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 93.36 -16.807747 29.128382 5.4616446 1 3688 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 90.62 -15.312965 28.831226 5.578925 1 3689 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 88.67 -14.67874 28.560957 4.219996 1 3690 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 84.77 -14.522941 29.83839 3.419946 1 3691 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 81.25 -13.77734 29.607008 2.160336 1 3692 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 94.14 -19.338356 30.857368 6.4689555 1 3693 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 93.75 -20.73703 31.22522 6.305024 1 3694 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 94.14 -21.078484 31.640917 4.873458 1 3695 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 93.36 -22.101524 32.281013 4.6383805 1 3696 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 92.58 -21.120272 32.346046 7.283524 1 3697 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 91.02 -20.428905 33.66989 6.9786468 1 3698 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 87.89 -19.531746 33.748314 6.133413 1 3699 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 86.33 -20.833265 34.727806 7.67462 1 3700 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 94.92 -20.217278 31.252357 3.902366 1 3701 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 94.53 -20.42784 31.642345 2.5111542 1 3702 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 94.53 -21.155445 30.581257 1.6848059 1 3703 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 94.14 -21.387676 30.785688 0.49598935 1 3704 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 94.53 -19.095242 32.004627 1.8477495 1 3705 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 93.75 -18.182224 30.808779 1.6765878 1 3706 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 91.41 -18.39042 29.749657 2.2736127 1 3707 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 90.23 -17.153347 30.960058 0.8650856 1 3708 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 94.92 -21.502636 29.45751 2.2745867 1 3709 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 94.92 -22.192657 28.394508 1.5646278 1 3710 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 95.7 -21.317507 27.224659 1.1561558 1 3711 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 95.31 -21.835072 26.21255 0.66826844 1 3712 +ATOM N N . SER C0 3 51 . 51 SER C0 N 95.7 -19.99691 27.324675 1.3242935 1 3713 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 96.09 -19.096375 26.234863 0.9678475 1 3714 +ATOM C C . SER C0 3 51 . 51 SER C0 C 95.7 -19.145374 25.145393 2.0395548 1 3715 +ATOM O O . SER C0 3 51 . 51 SER C0 O 95.31 -19.419914 25.419735 3.2078803 1 3716 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 95.31 -17.663202 26.749485 0.7946526 1 3717 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 92.58 -17.150146 27.249851 2.0071914 1 3718 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 95.31 -18.883038 23.908215 1.6184964 1 3719 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 95.7 -18.891241 22.805122 2.5654154 1 3720 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 96.09 -19.385674 21.517647 1.942935 1 3721 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 95.7 -19.49361 21.394789 0.7247559 1 3722 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 94.92 -19.662071 20.540068 2.7968473 1 3723 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 94.53 -20.126387 19.231865 2.3573198 1 3724 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 95.31 -21.492512 18.94782 2.9810562 1 3725 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 94.92 -21.683128 19.15331 4.1844435 1 3726 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 93.75 -19.125462 18.122719 2.7575953 1 3727 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 91.8 -19.648634 16.758322 2.3404126 1 3728 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 91.02 -17.766033 18.387003 2.122685 1 3729 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 95.7 -22.439972 18.500664 2.1614118 1 3730 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 96.09 -23.782452 18.154526 2.6255617 1 3731 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 96.09 -24.081377 16.719723 2.222682 1 3732 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 95.7 -23.660568 16.268192 1.1502388 1 3733 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 95.7 -24.833275 19.091106 2.0258012 1 3734 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 95.31 -24.699543 20.585945 2.3267865 1 3735 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 93.36 -26.060463 21.264313 2.2658057 1 3736 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 92.58 -23.724445 21.2407 1.3546851 1 3737 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 95.31 -24.801716 16.016476 3.0667887 1 3738 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 94.92 -25.099632 14.6124 2.8052173 1 3739 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 95.31 -26.567396 14.284222 3.0955842 1 3740 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 94.92 -27.221987 14.959024 3.8904593 1 3741 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 94.14 -24.199469 13.704977 3.6552954 1 3742 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 89.84 -22.721554 13.846476 3.3431916 1 3743 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 86.72 -21.846594 12.9952755 4.2344174 1 3744 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 84.38 -21.116512 12.126324 3.7132306 1 3745 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 83.59 -21.892855 13.185994 5.455412 1 3746 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 94.92 -27.046547 13.2358885 2.4384694 1 3747 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 95.31 -28.407232 12.768675 2.639447 1 3748 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 95.31 -28.53761 11.316461 2.2237072 1 3749 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 94.92 -27.625332 10.750523 1.6120807 1 3750 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 94.53 -29.667995 10.706301 2.5602722 1 3751 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 94.53 -29.923965 9.3029785 2.2432313 1 3752 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 94.53 -31.274305 9.193405 1.5366015 1 3753 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 94.14 -32.277176 9.731651 2.0205188 1 3754 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 94.14 -29.92825 8.427509 3.5152738 1 3755 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 91.8 -30.160225 6.9661617 3.1529083 1 3756 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 91.41 -28.619993 8.592852 4.279434 1 3757 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 93.75 -31.286894 8.491148 0.39099038 1 3758 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 93.75 -32.53038 8.285437 -0.34886548 1 3759 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 94.14 -33.337208 7.134514 0.25452882 1 3760 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 92.97 -32.838303 6.390888 1.1133358 1 3761 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 92.97 -32.23758 8.005991 -1.8229712 1 3762 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 91.02 -31.682932 9.194002 -2.575903 1 3763 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 89.06 -31.606936 8.897725 -4.0718546 1 3764 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 86.33 -31.190367 10.131823 -4.84274 1 3765 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 83.59 -31.18882 9.882727 -6.295902 1 3766 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 92.19 -34.57744 6.9749312 -0.19799063 1 3767 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 91.41 -35.45373 5.922455 0.31684983 1 3768 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 91.8 -34.871334 4.5267057 0.09670491 1 3769 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 90.62 -35.084785 3.6299822 0.9150031 1 3770 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 90.62 -36.83515 6.032464 -0.32681704 1 3771 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 91.02 -34.130432 4.3338532 -1.0174615 1 3772 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 90.62 -33.53583 3.031128 -1.2949858 1 3773 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 90.62 -32.19525 2.8410468 -0.5782995 1 3774 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 89.84 -31.466429 1.8893327 -0.8669569 1 3775 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 89.84 -33.364464 2.819903 -2.8071065 1 3776 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 89.45 -32.38442 3.795362 -3.443181 1 3777 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 88.28 -31.798454 4.636018 -2.723977 1 3778 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 86.33 -32.188057 3.7134666 -4.6752577 1 3779 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 91.8 -31.885544 3.7647443 0.34576952 1 3780 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 91.41 -30.688765 3.7519748 1.1784638 1 3781 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 92.19 -29.402334 4.142299 0.44331488 1 3782 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 91.41 -28.316637 4.0426397 1.0092152 1 3783 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 89.84 -30.516552 2.4069753 1.8853099 1 3784 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 85.16 -31.6437 2.1001399 2.8560047 1 3785 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 81.25 -31.330938 0.8861543 3.7115316 1 3786 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 76.56 -32.454628 0.6533856 4.711042 1 3787 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 71.88 -32.165974 -0.49664134 5.585779 1 3788 +ATOM N N . SER C0 3 62 . 62 SER C0 N 92.58 -29.524027 4.573097 -0.8176684 1 3789 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 92.58 -28.350748 5.088046 -1.5069321 1 3790 +ATOM C C . SER C0 3 62 . 62 SER C0 C 93.36 -27.974968 6.4160795 -0.8489734 1 3791 +ATOM O O . SER C0 3 62 . 62 SER C0 O 92.97 -28.834145 7.138068 -0.33795112 1 3792 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 91.41 -28.62954 5.2775984 -3.0050921 1 3793 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 88.67 -29.702417 6.16542 -3.2353787 1 3794 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 94.14 -26.68829 6.7295 -0.8425553 1 3795 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 94.14 -26.179363 7.930156 -0.18707485 1 3796 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 94.92 -25.891289 9.018787 -1.2178407 1 3797 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 94.53 -25.408669 8.72887 -2.3251758 1 3798 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 92.58 -24.90371 7.6234064 0.5995256 1 3799 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 90.23 -24.99419 6.39711 1.503948 1 3800 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 87.89 -25.845364 6.6421504 2.7214823 1 3801 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 83.59 -25.882929 5.418052 3.6436386 1 3802 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 79.69 -24.55209 5.1046066 4.2146564 1 3803 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 95.31 -26.183212 10.26285 -0.8747218 1 3804 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 95.7 -25.934418 11.404954 -1.7460264 1 3805 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 95.7 -25.031391 12.396139 -1.0148779 1 3806 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 95.31 -25.261675 12.718118 0.15073562 1 3807 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 95.31 -27.250957 12.103756 -2.160759 1 3808 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 93.36 -26.958876 13.259081 -3.1054916 1 3809 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 92.58 -28.195213 11.1055155 -2.8118882 1 3810 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 95.31 -23.997923 12.866977 -1.7070599 1 3811 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 94.92 -23.037052 13.796579 -1.1242261 1 3812 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 95.7 -22.824772 14.972762 -2.0719066 1 3813 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 95.31 -22.518295 14.770031 -3.2484975 1 3814 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 94.14 -21.706482 13.087221 -0.8533087 1 3815 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 91.8 -20.626747 13.970495 -0.24894959 1 3816 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 90.23 -19.35426 13.160528 -0.029514384 1 3817 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 86.72 -18.229874 14.02129 0.5326755 1 3818 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 83.98 -17.001707 13.222172 0.735548 1 3819 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 96.09 -23.034037 16.185568 -1.56691 1 3820 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 96.09 -22.823433 17.404005 -2.338528 1 3821 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 95.7 -21.652145 18.177044 -1.7440426 1 3822 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 95.7 -21.671394 18.527212 -0.56034136 1 3823 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 96.09 -24.079033 18.287043 -2.320457 1 3824 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 95.31 -23.953981 19.66185 -2.985388 1 3825 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 93.36 -25.202063 20.496101 -2.7177172 1 3826 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 93.36 -23.71446 19.528381 -4.488158 1 3827 +ATOM N N . THR C0 3 67 . 67 THR C0 N 95.7 -20.621162 18.412533 -2.552033 1 3828 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 95.31 -19.461699 19.174377 -2.108622 1 3829 +ATOM C C . THR C0 3 67 . 67 THR C0 C 95.7 -19.458668 20.523651 -2.825728 1 3830 +ATOM O O . THR C0 3 67 . 67 THR C0 O 95.7 -19.507954 20.575737 -4.056223 1 3831 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 94.53 -18.154453 18.423443 -2.401832 1 3832 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 92.58 -18.187733 17.144848 -1.7580132 1 3833 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 92.19 -16.946762 19.206295 -1.9011042 1 3834 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 96.48 -19.431774 21.599762 -2.0475001 1 3835 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 96.09 -19.40865 22.955994 -2.5828114 1 3836 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 95.7 -18.01442 23.532211 -2.337473 1 3837 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 95.31 -17.56284 23.595806 -1.1927817 1 3838 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 96.48 -20.474995 23.838459 -1.896707 1 3839 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 94.92 -21.856836 23.179306 -2.0020506 1 3840 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 94.92 -20.48193 25.237747 -2.516396 1 3841 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 93.36 -22.895584 23.769001 -1.0637156 1 3842 +ATOM N N . SER C0 3 69 . 69 SER C0 N 96.09 -17.310896 23.92735 -3.4150805 1 3843 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 95.7 -15.9512205 24.428219 -3.3024206 1 3844 +ATOM C C . SER C0 3 69 . 69 SER C0 C 95.7 -15.889811 25.722492 -2.487924 1 3845 +ATOM O O . SER C0 3 69 . 69 SER C0 O 95.7 -16.865807 26.467373 -2.3992267 1 3846 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 95.31 -15.346218 24.65877 -4.686769 1 3847 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 92.97 -16.059284 25.657726 -5.405311 1 3848 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 95.31 -14.716157 25.985367 -1.8896286 1 3849 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 94.92 -14.530359 27.160364 -1.0462565 1 3850 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 95.31 -14.813817 28.468985 -1.7800426 1 3851 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 94.53 -15.319222 29.415188 -1.1811574 1 3852 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 94.14 -13.105213 27.186125 -0.47032896 1 3853 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 89.84 -12.893524 26.148523 0.6146216 1 3854 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 86.33 -13.882789 25.701897 1.2326291 1 3855 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 84.77 -11.723848 25.780535 0.8609048 1 3856 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 95.31 -14.480803 28.529282 -3.0927699 1 3857 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 94.53 -14.7246685 29.743639 -3.8639421 1 3858 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 94.53 -16.116352 29.770313 -4.497558 1 3859 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 93.75 -16.427717 30.686548 -5.254208 1 3860 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 93.75 -13.641716 29.934772 -4.940219 1 3861 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 92.58 -13.6591425 28.85192 -6.0031433 1 3862 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 91.02 -14.486933 27.912788 -5.922738 1 3863 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 89.06 -12.830658 28.931427 -6.934661 1 3864 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 95.31 -16.941017 28.775879 -4.189734 1 3865 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 94.92 -18.30785 28.62476 -4.6908293 1 3866 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 94.92 -18.381851 28.471447 -6.2095346 1 3867 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 93.75 -19.454363 28.618217 -6.795912 1 3868 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 94.92 -19.186169 29.809586 -4.2533517 1 3869 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 94.14 -19.205217 30.132708 -2.7622437 1 3870 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 92.58 -20.168179 31.286316 -2.4949918 1 3871 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 91.41 -19.588661 28.911373 -1.9482366 1 3872 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 95.31 -17.237295 28.161373 -6.839322 1 3873 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 94.92 -17.184639 28.051075 -8.28782 1 3874 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 95.31 -17.44434 26.667803 -8.841566 1 3875 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 94.53 -17.50413 26.485022 -10.058303 1 3876 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 96.09 -17.61369 25.680021 -7.9781322 1 3877 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 96.09 -17.82677 24.310692 -8.436844 1 3878 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 96.48 -18.610123 23.49791 -7.4091034 1 3879 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 96.09 -18.440657 23.6871 -6.20135 1 3880 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 94.92 -16.47074 23.642902 -8.702967 1 3881 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 92.58 -16.559902 22.242939 -9.272237 1 3882 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 91.02 -15.185948 21.652573 -9.547602 1 3883 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 87.11 -14.554722 21.95486 -10.557381 1 3884 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 86.33 -14.705402 20.837425 -8.619339 1 3885 +ATOM N N . THR C0 3 75 . 75 THR C0 N 95.7 -19.469738 22.61397 -7.9162936 1 3886 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 96.09 -20.168163 21.674381 -7.055602 1 3887 +ATOM C C . THR C0 3 75 . 75 THR C0 C 96.09 -19.910652 20.261889 -7.5748453 1 3888 +ATOM O O . THR C0 3 75 . 75 THR C0 O 95.7 -19.766148 20.048765 -8.783426 1 3889 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 95.7 -21.692251 21.915028 -7.0125685 1 3890 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 92.97 -22.242313 21.773098 -8.319925 1 3891 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 92.19 -22.016123 23.3028 -6.470931 1 3892 +ATOM N N . THR C0 3 76 . 76 THR C0 N 95.7 -19.821878 19.300995 -6.6468296 1 3893 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 95.7 -19.655367 17.901546 -6.997789 1 3894 +ATOM C C . THR C0 3 76 . 76 THR C0 C 96.09 -20.778973 17.132317 -6.3093085 1 3895 +ATOM O O . THR C0 3 76 . 76 THR C0 O 96.09 -20.889793 17.166473 -5.082943 1 3896 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 94.92 -18.290268 17.363531 -6.535362 1 3897 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 92.97 -17.245663 18.10643 -7.168051 1 3898 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 92.58 -18.137383 15.890944 -6.8960896 1 3899 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 95.31 -21.615446 16.461742 -7.110028 1 3900 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 95.31 -22.72673 15.682802 -6.5798054 1 3901 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 95.31 -22.443243 14.204309 -6.8337398 1 3902 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 94.92 -22.311628 13.777998 -7.9879665 1 3903 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 95.31 -24.045223 16.08936 -7.2463074 1 3904 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 94.53 -25.300037 15.376726 -6.7400665 1 3905 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 92.97 -26.480612 15.68293 -7.6545515 1 3906 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 92.58 -25.611973 15.780317 -5.305129 1 3907 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 94.92 -22.34156 13.4317875 -5.7660904 1 3908 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 94.92 -22.035679 12.011671 -5.8717136 1 3909 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 95.31 -23.14866 11.175547 -5.2492228 1 3910 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 95.31 -23.693274 11.527594 -4.201724 1 3911 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 94.14 -20.70525 11.685674 -5.179718 1 3912 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 92.97 -19.495514 12.337944 -5.8280263 1 3913 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 92.19 -18.23427 12.198488 -4.9994726 1 3914 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 90.23 -17.256855 11.59417 -5.4815435 1 3915 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 89.84 -18.2309 12.686918 -3.8561516 1 3916 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 94.53 -23.483574 10.065041 -5.9245663 1 3917 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 94.53 -24.46199 9.119335 -5.4021525 1 3918 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 94.53 -23.73692 7.794468 -5.2060747 1 3919 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 94.14 -23.040527 7.3202815 -6.1076202 1 3920 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 94.14 -25.661694 8.932379 -6.362908 1 3921 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 92.97 -26.658398 7.9482064 -5.781108 1 3922 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 92.19 -26.329678 10.284273 -6.642049 1 3923 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 93.75 -23.8765 7.211537 -4.0248284 1 3924 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 93.75 -23.226456 5.958558 -3.6695106 1 3925 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 93.36 -24.249516 4.877137 -3.3628922 1 3926 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 92.97 -25.409508 5.172921 -3.070747 1 3927 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 93.36 -22.34325 6.140973 -2.4295125 1 3928 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 92.58 -21.288723 7.205879 -2.552343 1 3929 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 91.8 -21.574913 8.518075 -2.1967473 1 3930 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 91.02 -20.019686 6.900133 -3.0076811 1 3931 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 90.23 -20.603977 9.501938 -2.299604 1 3932 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 89.84 -19.050545 7.8755445 -3.1110592 1 3933 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 90.23 -19.338108 9.183881 -2.7563834 1 3934 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 91.02 -23.787842 3.6188967 -3.4049644 1 3935 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 90.62 -24.626974 2.5235515 -2.9468627 1 3936 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 90.23 -24.751127 2.6384885 -1.4360592 1 3937 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 89.06 -24.15918 3.5334034 -0.81029654 1 3938 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 89.45 -24.021423 1.1772945 -3.3201108 1 3939 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 87.5 -23.891228 0.922944 -4.825946 1 3940 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 85.94 -25.234562 0.7282433 -5.512951 1 3941 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 83.2 -25.817856 -0.6538064 -5.272262 1 3942 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 80.86 -27.05296 -0.8689109 -6.0433083 1 3943 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 89.45 -25.474054 1.7270567 -0.8027698 1 3944 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 88.28 -25.72274 1.7748902 0.6358691 1 3945 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 88.28 -24.43267 1.8000401 1.4692795 1 3946 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 86.33 -24.407597 2.383644 2.5571156 1 3947 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 86.33 -26.601036 0.58816636 1.0553894 1 3948 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 82.42 -26.960152 0.58263063 2.537169 1 3949 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 79.3 -27.864813 -0.5738168 2.9092183 1 3950 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 76.17 -28.231853 -1.359771 2.010036 1 3951 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 75.39 -28.215618 -0.70025694 4.106068 1 3952 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 88.28 -23.336016 1.1971695 0.95321167 1 3953 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 87.89 -22.091967 1.139725 1.7137012 1 3954 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 87.5 -21.406982 2.5055814 1.8464348 1 3955 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 86.33 -20.478601 2.6568727 2.6286666 1 3956 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 87.11 -21.120958 0.1089451 1.1179913 1 3957 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 86.72 -20.731735 0.39978915 -0.32695594 1 3958 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 85.55 -20.768848 1.5785763 -0.7545136 1 3959 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 83.98 -20.372206 -0.5658337 -1.0411738 1 3960 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 90.23 -21.89188 3.4964404 1.0923977 1 3961 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 90.23 -21.35762 4.841567 1.1738365 1 3962 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 90.62 -20.002018 5.04792 0.5199436 1 3963 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 89.45 -19.426678 6.141394 0.6268631 1 3964 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 91.02 -19.485199 4.0348687 -0.17389809 1 3965 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 91.02 -18.1848 4.128241 -0.82262987 1 3966 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 90.62 -18.219185 3.7769299 -2.302839 1 3967 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 89.45 -17.458744 4.346593 -3.087706 1 3968 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 90.23 -17.171104 3.2234683 -0.09952539 1 3969 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 89.84 -16.864357 3.6661482 1.3267846 1 3970 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 88.67 -15.870577 2.725278 1.9866192 1 3971 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 87.11 -15.567303 3.1794348 3.4060109 1 3972 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 84.77 -14.624884 2.2584553 4.061638 1 3973 +ATOM N N . THR C0 3 86 . 86 THR C0 N 91.02 -19.07941 2.833261 -2.700207 1 3974 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 91.41 -19.177881 2.4132822 -4.0933876 1 3975 +ATOM C C . THR C0 3 86 . 86 THR C0 C 91.41 -19.98225 3.4533043 -4.877687 1 3976 +ATOM O O . THR C0 3 86 . 86 THR C0 O 90.62 -21.161434 3.6636286 -4.6194663 1 3977 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 90.23 -19.84263 1.0367299 -4.207925 1 3978 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 88.28 -19.12824 0.09705876 -3.4075508 1 3979 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 87.5 -19.867733 0.5605221 -5.6563916 1 3980 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 92.58 -19.32861 4.0771546 -5.8734145 1 3981 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 92.97 -19.930258 5.1597557 -6.640773 1 3982 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 92.97 -20.937908 4.6495523 -7.6683493 1 3983 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 92.19 -20.680704 3.6736808 -8.379863 1 3984 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 92.19 -18.823996 5.9492936 -7.336719 1 3985 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 91.02 -19.041946 7.416084 -7.702242 1 3986 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 89.45 -17.694937 7.9970512 -8.128336 1 3987 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 88.67 -19.63555 8.209103 -6.559331 1 3988 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 93.36 -22.09002 5.323963 -7.737975 1 3989 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 93.36 -23.127836 5.0121927 -8.716237 1 3990 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 93.75 -23.104568 6.0711193 -9.820089 1 3991 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 93.36 -23.155493 5.745202 -11.004765 1 3992 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 92.58 -24.524872 4.962679 -8.062794 1 3993 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 90.62 -25.609962 4.8166842 -9.12533 1 3994 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 89.84 -24.59745 3.8297958 -7.0430875 1 3995 +ATOM N N . SER C0 3 89 . 89 SER C0 N 94.14 -23.025015 7.3401127 -9.432852 1 3996 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 94.53 -22.942719 8.439163 -10.386702 1 3997 +ATOM C C . SER C0 3 89 . 89 SER C0 C 94.53 -22.228767 9.623981 -9.756792 1 3998 +ATOM O O . SER C0 3 89 . 89 SER C0 O 94.14 -22.145618 9.731079 -8.530024 1 3999 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 94.14 -24.337296 8.869108 -10.868301 1 4000 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 92.19 -25.08795 9.445949 -9.820419 1 4001 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 94.92 -21.69822 10.498741 -10.62594 1 4002 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 94.53 -20.969093 11.676453 -10.167566 1 4003 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 94.92 -21.15596 12.801658 -11.173307 1 4004 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 94.53 -21.009418 12.577918 -12.377241 1 4005 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 93.75 -19.476677 11.356628 -10.012112 1 4006 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 91.8 -18.61522 12.542757 -9.602898 1 4007 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 90.23 -17.150787 12.123835 -9.512094 1 4008 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 87.5 -16.255466 13.296867 -9.123162 1 4009 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 84.77 -14.849398 12.882336 -9.036162 1 4010 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 95.31 -21.508047 13.990298 -10.686107 1 4011 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 95.31 -21.674301 15.148641 -11.559713 1 4012 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 95.31 -20.942535 16.350164 -10.980116 1 4013 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 95.31 -21.15144 16.712208 -9.819511 1 4014 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 94.53 -23.155022 15.490473 -11.754679 1 4015 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 92.58 -23.376644 16.617939 -12.759757 1 4016 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 90.62 -24.853594 16.833649 -13.056629 1 4017 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 87.89 -25.04676 17.907381 -14.122708 1 4018 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 84.77 -26.475777 18.0961 -14.444445 1 4019 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 95.31 -20.067623 16.936306 -11.793117 1 4020 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 95.7 -19.316576 18.12753 -11.398821 1 4021 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 95.7 -19.799442 19.279495 -12.272247 1 4022 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 95.31 -19.818214 19.161606 -13.49995 1 4023 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 94.92 -17.796684 17.938667 -11.576164 1 4024 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 93.75 -17.051249 19.209583 -11.1634035 1 4025 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 92.97 -17.317732 16.744427 -10.762457 1 4026 +ATOM N N . THR C0 3 93 . 93 THR C0 N 95.31 -20.21371 20.374943 -11.657161 1 4027 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 95.7 -20.70494 21.5381 -12.3901205 1 4028 +ATOM C C . THR C0 3 93 . 93 THR C0 C 95.31 -19.910536 22.778122 -11.986269 1 4029 +ATOM O O . THR C0 3 93 . 93 THR C0 O 94.92 -19.704292 23.023024 -10.796814 1 4030 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 94.92 -22.201048 21.777485 -12.112438 1 4031 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 92.19 -22.938324 20.589512 -12.405321 1 4032 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 91.8 -22.743195 22.922298 -12.971528 1 4033 +ATOM N N . SER C0 3 94 . 94 SER C0 N 95.7 -19.446354 23.534912 -12.988383 1 4034 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 94.92 -18.659595 24.741259 -12.747868 1 4035 +ATOM C C . SER C0 3 94 . 94 SER C0 C 94.92 -19.505253 25.994781 -12.9539795 1 4036 +ATOM O O . SER C0 3 94 . 94 SER C0 O 94.14 -20.57325 25.946236 -13.569831 1 4037 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 94.53 -17.43637 24.774546 -13.66392 1 4038 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 89.84 -16.59489 23.663763 -13.426104 1 4039 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 93.75 -19.024345 27.138191 -12.451278 1 4040 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 92.97 -19.766043 28.388418 -12.534487 1 4041 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 93.36 -19.97234 28.870775 -13.965789 1 4042 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 91.8 -20.879461 29.662022 -14.22267 1 4043 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 92.19 -19.066832 29.47651 -11.705492 1 4044 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 87.89 -17.67454 29.849651 -12.204571 1 4045 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 83.98 -17.054903 30.933466 -11.318325 1 4046 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 80.08 -15.6532135 31.271732 -11.774849 1 4047 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 75.78 -15.04306 32.303284 -10.900934 1 4048 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 92.97 -19.138313 28.408873 -14.925075 1 4049 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 92.97 -19.301994 28.799871 -16.322277 1 4050 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 92.97 -20.337215 27.93104 -17.04197 1 4051 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 92.19 -20.440533 27.975397 -18.266636 1 4052 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 92.58 -17.956757 28.759953 -17.065338 1 4053 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 92.19 -17.386826 27.361969 -17.213156 1 4054 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 90.62 -17.965351 26.39948 -16.649445 1 4055 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 89.45 -16.35368 27.213352 -17.895334 1 4056 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 92.97 -21.069998 27.130087 -16.28542 1 4057 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 92.97 -22.13109 26.233006 -16.75195 1 4058 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 94.14 -21.62699 24.950588 -17.408335 1 4059 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 93.75 -22.427252 24.154167 -17.91006 1 4060 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 91.41 -23.092968 26.960928 -17.696793 1 4061 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 86.72 -23.82583 28.123055 -17.03534 1 4062 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 82.42 -24.83824 28.749067 -17.99147 1 4063 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 77.34 -25.550648 29.915592 -17.323048 1 4064 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 71.48 -26.528538 30.539707 -18.237915 1 4065 +ATOM N N . SER C0 3 98 . 98 SER C0 N 94.92 -20.305103 24.727428 -17.425385 1 4066 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 94.92 -19.782948 23.468311 -17.938473 1 4067 +ATOM C C . SER C0 3 98 . 98 SER C0 C 95.31 -20.005058 22.392277 -16.877289 1 4068 +ATOM O O . SER C0 3 98 . 98 SER C0 O 94.92 -20.060394 22.682318 -15.679623 1 4069 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 94.14 -18.291302 23.586449 -18.277746 1 4070 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 92.19 -17.512436 23.863628 -17.133862 1 4071 +ATOM N N . SER C0 3 99 . 99 SER C0 N 95.31 -20.155205 21.142574 -17.343988 1 4072 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 95.31 -20.367577 20.053211 -16.398205 1 4073 +ATOM C C . SER C0 3 99 . 99 SER C0 C 95.31 -19.86753 18.72939 -16.963226 1 4074 +ATOM O O . SER C0 3 99 . 99 SER C0 O 95.31 -19.708015 18.572464 -18.175886 1 4075 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 94.92 -21.847721 19.921398 -16.021284 1 4076 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 93.36 -22.61551 19.465609 -17.111588 1 4077 +ATOM N N . THR C0 3 100 . 100 THR C0 N 95.31 -19.595432 17.788815 -16.046429 1 4078 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 95.31 -19.2155 16.434692 -16.41634 1 4079 +ATOM C C . THR C0 3 100 . 100 THR C0 C 95.7 -20.05043 15.489481 -15.55513 1 4080 +ATOM O O . THR C0 3 100 . 100 THR C0 O 95.31 -20.056282 15.617694 -14.32896 1 4081 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 94.92 -17.71637 16.171944 -16.164536 1 4082 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 92.19 -16.934723 17.076832 -16.94022 1 4083 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 91.41 -17.347055 14.742803 -16.54747 1 4084 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 95.7 -20.766575 14.571438 -16.208588 1 4085 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 95.7 -21.567795 13.586952 -15.48298 1 4086 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 95.7 -21.129883 12.188038 -15.887168 1 4087 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 95.31 -20.970161 11.897718 -17.073416 1 4088 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 94.92 -23.068 13.777189 -15.755426 1 4089 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 91.8 -23.920374 12.7634945 -15.012265 1 4090 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 89.45 -25.383427 13.148337 -14.903608 1 4091 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 86.72 -25.842852 14.0305195 -15.664494 1 4092 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 86.33 -26.087917 12.571365 -14.04047 1 4093 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 94.92 -20.939737 11.334145 -14.892916 1 4094 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 94.92 -20.481499 9.971342 -15.120364 1 4095 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 94.92 -21.392254 8.966868 -14.42222 1 4096 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 94.92 -21.918743 9.23614 -13.344058 1 4097 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 94.14 -19.04923 9.7795315 -14.60243 1 4098 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 92.58 -18.006828 10.629232 -15.305582 1 4099 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 92.58 -16.70564 10.719462 -14.53698 1 4100 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 90.62 -15.666695 10.256634 -15.052525 1 4101 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 91.02 -16.726902 11.245735 -13.408321 1 4102 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 94.53 -21.55766 7.8033133 -15.052574 1 4103 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 94.53 -22.259062 6.676936 -14.450272 1 4104 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 94.92 -21.277184 5.518404 -14.382519 1 4105 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 94.53 -20.400473 5.3882713 -15.238512 1 4106 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 94.14 -23.497826 6.2909822 -15.265083 1 4107 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 91.8 -24.59859 7.345016 -15.225982 1 4108 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 89.84 -25.846668 6.8608036 -15.9548855 1 4109 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 86.33 -26.948235 7.9173136 -15.898661 1 4110 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 82.42 -28.16276 7.4748464 -16.61986 1 4111 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 93.75 -21.424046 4.6740346 -13.355906 1 4112 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 93.75 -20.464296 3.6087136 -13.0911255 1 4113 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 93.75 -21.09837 2.2257318 -13.126411 1 4114 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 93.36 -22.27602 2.0683208 -12.79953 1 4115 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 93.36 -19.790062 3.8486366 -11.731211 1 4116 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 92.97 -19.090935 5.179714 -11.648167 1 4117 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 91.8 -19.81067 6.3433986 -11.400943 1 4118 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 91.41 -17.72578 5.2757287 -11.841105 1 4119 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 90.23 -19.16942 7.575636 -11.352189 1 4120 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 90.23 -17.084923 6.500705 -11.7848625 1 4121 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 90.62 -17.809086 7.6546354 -11.540848 1 4122 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 93.75 -20.293547 1.2208325 -13.529463 1 4123 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 92.97 -20.793022 -0.1455141 -13.601429 1 4124 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 92.97 -20.545769 -0.8892907 -12.286589 1 4125 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 92.58 -20.108791 -0.29429102 -11.300099 1 4126 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 92.19 -20.177258 -0.9001669 -14.786671 1 4127 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 91.41 -18.675243 -1.0935422 -14.677992 1 4128 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 90.62 -18.093937 -0.9700327 -13.593933 1 4129 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 89.06 -18.038536 -1.4120979 -15.799429 1 4130 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 90.62 -20.839912 -2.1971323 -12.253 1 4131 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 90.23 -20.711538 -3.0053189 -11.041857 1 4132 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 90.23 -19.285744 -3.0381446 -10.489903 1 4133 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 89.45 -19.09446 -3.1990469 -9.284636 1 4134 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 89.06 -21.165844 -4.4431067 -11.299463 1 4135 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 85.94 -22.653427 -4.6121745 -11.536016 1 4136 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 83.98 -23.016853 -6.06759 -11.758763 1 4137 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 81.64 -23.892166 -6.577527 -11.040745 1 4138 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 80.86 -22.412123 -6.6911087 -12.653992 1 4139 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 91.41 -18.283422 -2.8953247 -11.373674 1 4140 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 91.02 -16.889645 -2.93292 -10.959167 1 4141 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 91.02 -16.351868 -1.5758541 -10.506393 1 4142 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 89.84 -15.184114 -1.4583387 -10.167845 1 4143 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 91.02 -16.013906 -3.469414 -12.093922 1 4144 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 90.23 -16.375492 -4.8759713 -12.532271 1 4145 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 89.45 -15.490814 -5.3263297 -13.69029 1 4146 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 87.89 -15.897679 -6.711191 -14.160318 1 4147 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 85.94 -15.052342 -7.161773 -15.278718 1 4148 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 90.62 -17.23138 -0.55223864 -10.501431 1 4149 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 90.23 -16.807413 0.7744263 -10.117096 1 4150 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 90.62 -16.074734 1.5144167 -11.223354 1 4151 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 90.23 -15.363107 2.4834347 -10.952874 1 4152 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 92.19 -16.251225 1.0718246 -12.48731 1 4153 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 92.19 -15.609566 1.6857351 -13.637341 1 4154 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 92.58 -16.609463 2.5638223 -14.384726 1 4155 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 92.58 -17.800816 2.25703 -14.422302 1 4156 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 91.02 -15.052823 0.60924315 -14.577532 1 4157 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 88.67 -14.014906 -0.2850206 -13.9126 1 4158 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 87.5 -13.71357 -1.5506095 -14.700159 1 4159 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 85.16 -12.618103 -2.107985 -14.500875 1 4160 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 85.16 -14.560463 -1.9926445 -15.494654 1 4161 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 92.97 -16.119907 3.6376448 -14.997551 1 4162 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 93.36 -16.987625 4.5432096 -15.741943 1 4163 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 93.75 -17.566256 3.8185296 -16.953218 1 4164 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 93.36 -16.822372 3.2335358 -17.744455 1 4165 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 92.97 -16.22617 5.8017354 -16.202858 1 4166 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 91.02 -17.138367 6.7061195 -17.032393 1 4167 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 90.23 -15.686334 6.562489 -15.000801 1 4168 +ATOM N N . SER C0 3 111 . 111 SER C0 N 94.53 -18.892935 3.8463194 -17.09885 1 4169 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 94.92 -19.558094 3.196011 -18.225397 1 4170 +ATOM C C . SER C0 3 111 . 111 SER C0 C 94.92 -20.186779 4.2183914 -19.171146 1 4171 +ATOM O O . SER C0 3 111 . 111 SER C0 O 94.92 -20.369976 3.9238923 -20.352074 1 4172 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 93.75 -20.633247 2.221946 -17.73238 1 4173 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 91.41 -21.609623 2.8896866 -16.958614 1 4174 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 95.31 -20.525536 5.411398 -18.675978 1 4175 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 95.7 -21.079973 6.5002365 -19.473911 1 4176 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 95.7 -20.506191 7.820454 -18.974916 1 4177 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 95.31 -20.230644 7.9640913 -17.781818 1 4178 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 94.92 -22.614357 6.5578246 -19.363525 1 4179 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 92.19 -23.32217 5.3043265 -19.851404 1 4180 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 91.02 -24.83387 5.3851075 -19.708904 1 4181 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 88.28 -25.491455 4.33386 -19.685675 1 4182 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 87.89 -25.368162 6.510027 -19.61435 1 4183 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 96.09 -20.336475 8.760225 -19.912207 1 4184 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 96.09 -19.799004 10.062485 -19.532923 1 4185 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 96.48 -20.327948 11.135342 -20.471622 1 4186 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 96.09 -20.32675 10.941954 -21.694038 1 4187 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 95.31 -18.263779 10.044321 -19.563648 1 4188 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 92.58 -17.600065 11.329351 -19.09059 1 4189 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 91.02 -16.085567 11.1514845 -19.066051 1 4190 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 87.89 -15.384807 12.4095545 -18.55751 1 4191 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 85.16 -13.928381 12.203949 -18.497011 1 4192 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 96.09 -20.818264 12.236034 -19.905518 1 4193 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 96.48 -21.310692 13.36046 -20.695625 1 4194 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 96.09 -20.595812 14.621518 -20.231302 1 4195 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 96.09 -20.649815 14.971003 -19.050846 1 4196 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 95.7 -22.837854 13.551641 -20.535221 1 4197 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 94.92 -23.58824 12.298372 -20.991451 1 4198 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 94.92 -23.304487 14.780155 -21.344772 1 4199 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 92.19 -25.083502 12.359183 -20.734118 1 4200 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 95.7 -19.911272 15.283128 -21.176949 1 4201 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 95.7 -19.224373 16.535664 -20.8869 1 4202 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 96.09 -19.996222 17.653454 -21.582333 1 4203 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 96.09 -20.117188 17.651054 -22.807373 1 4204 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 95.31 -17.76273 16.517038 -21.383099 1 4205 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 93.36 -16.988497 15.391193 -20.69941 1 4206 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 92.97 -17.102707 17.884237 -21.13573 1 4207 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 90.62 -15.602694 15.158947 -21.289667 1 4208 +ATOM N N . THR C0 3 116 . 116 THR C0 N 95.31 -20.53984 18.575138 -20.798185 1 4209 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 95.31 -21.24552 19.723005 -21.349365 1 4210 +ATOM C C . THR C0 3 116 . 116 THR C0 C 95.31 -20.326355 20.932356 -21.27119 1 4211 +ATOM O O . THR C0 3 116 . 116 THR C0 O 94.92 -19.867218 21.299307 -20.18943 1 4212 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 95.31 -22.54893 20.00048 -20.57764 1 4213 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 92.97 -23.394783 18.845572 -20.63837 1 4214 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 92.58 -23.295073 21.193642 -21.177448 1 4215 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 94.53 -20.025806 21.523705 -22.440226 1 4216 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 94.53 -19.161459 22.689318 -22.475067 1 4217 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 94.14 -19.947464 23.948925 -22.13416 1 4218 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 93.36 -21.184246 23.941956 -22.15778 1 4219 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 94.53 -18.522732 22.818777 -23.855787 1 4220 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 93.75 -17.63746 21.633049 -24.222435 1 4221 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 92.97 -17.291723 21.696259 -25.695206 1 4222 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 91.8 -16.379702 20.63286 -26.11155 1 4223 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 91.41 -16.494015 19.963736 -27.243784 1 4224 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 89.45 -17.503155 20.211637 -28.078465 1 4225 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 89.84 -15.608533 19.037495 -27.55571 1 4226 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 94.14 -19.234709 25.0287 -21.831066 1 4227 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 93.36 -19.886635 26.27753 -21.45102 1 4228 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 93.75 -20.831459 26.795353 -22.537415 1 4229 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 92.97 -21.831562 27.44824 -22.233295 1 4230 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 92.97 -18.839476 27.334301 -21.116623 1 4231 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 93.36 -20.51904 26.489895 -23.814945 1 4232 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 92.97 -21.35168 26.958687 -24.918419 1 4233 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 93.36 -22.540936 26.039627 -25.213581 1 4234 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 92.58 -23.279291 26.270988 -26.166565 1 4235 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 92.97 -20.517197 27.161879 -26.189373 1 4236 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 92.97 -19.887573 25.886532 -26.712236 1 4237 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 91.41 -20.21442 24.784306 -26.20719 1 4238 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 90.23 -19.059885 25.971794 -27.635761 1 4239 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 94.14 -22.734177 25.01033 -24.396673 1 4240 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 93.75 -23.858547 24.106628 -24.54772 1 4241 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 94.53 -23.606728 22.890995 -25.411549 1 4242 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 94.14 -24.443958 21.98301 -25.459824 1 4243 +ATOM N N . THR C0 3 121 . 121 THR C0 N 95.31 -22.457527 22.844637 -26.127289 1 4244 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 95.31 -22.14706 21.658283 -26.920877 1 4245 +ATOM C C . THR C0 3 121 . 121 THR C0 C 95.7 -21.696112 20.550518 -25.974934 1 4246 +ATOM O O . THR C0 3 121 . 121 THR C0 O 95.7 -21.267242 20.806686 -24.8459 1 4247 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 94.92 -21.054379 21.942108 -27.970749 1 4248 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 92.97 -19.85506 22.36466 -27.325184 1 4249 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 92.58 -21.514284 23.029095 -28.941559 1 4250 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 96.09 -21.801336 19.31187 -26.453487 1 4251 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 96.09 -21.519695 18.179726 -25.576265 1 4252 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 96.48 -20.68532 17.097271 -26.231594 1 4253 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 96.09 -20.757744 16.896692 -27.45249 1 4254 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 95.7 -22.834267 17.54757 -25.095463 1 4255 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 92.19 -23.649021 18.430727 -24.161686 1 4256 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 90.62 -24.988094 17.779577 -23.81237 1 4257 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 87.5 -25.93625 17.862568 -24.931755 1 4258 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 86.33 -26.40152 16.810478 -25.598507 1 4259 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 83.59 -27.255245 16.993065 -26.599884 1 4260 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 83.98 -26.01467 15.5743065 -25.28772 1 4261 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 96.48 -19.914593 16.393791 -25.409092 1 4262 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 96.48 -19.24105 15.16129 -25.787863 1 4263 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 96.48 -19.917923 14.066057 -24.984974 1 4264 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 96.88 -20.010464 14.160166 -23.754871 1 4265 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 95.7 -17.743734 15.203308 -25.455784 1 4266 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 94.53 -16.85624 16.014359 -26.401093 1 4267 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 92.58 -15.473454 16.198086 -25.776337 1 4268 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 91.8 -16.750406 15.301596 -27.744434 1 4269 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 96.48 -20.423927 13.043196 -25.673077 1 4270 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 96.48 -21.116062 11.94697 -25.008968 1 4271 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 96.88 -20.394192 10.635228 -25.278828 1 4272 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 96.48 -20.083035 10.310959 -26.421684 1 4273 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 96.09 -22.564064 11.837212 -25.498667 1 4274 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 94.53 -23.388187 13.09001 -25.214638 1 4275 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 94.14 -24.834648 12.970388 -25.674309 1 4276 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 91.8 -25.599312 13.941271 -25.493053 1 4277 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 91.41 -25.211054 11.909417 -26.213488 1 4278 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 96.48 -20.120113 9.891993 -24.201462 1 4279 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 96.48 -19.456924 8.599194 -24.303257 1 4280 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 96.09 -20.345518 7.5188932 -23.705976 1 4281 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 95.7 -20.889309 7.6961155 -22.61342 1 4282 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 96.09 -18.112162 8.6239395 -23.573147 1 4283 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 95.7 -17.188517 9.730579 -24.04375 1 4284 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 93.75 -16.994173 10.875789 -23.275574 1 4285 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 93.36 -16.511398 9.629944 -25.253197 1 4286 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 92.58 -16.144716 11.891591 -23.701239 1 4287 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 92.58 -15.664501 10.638763 -25.684368 1 4288 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 94.14 -15.483065 11.763842 -24.903057 1 4289 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 93.36 -14.645621 12.764116 -25.32972 1 4290 +ATOM N N . THR C0 3 126 . 126 THR C0 N 96.48 -20.494328 6.418645 -24.422382 1 4291 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 95.7 -21.282785 5.2963715 -23.929348 1 4292 +ATOM C C . THR C0 3 126 . 126 THR C0 C 96.09 -20.51007 3.995181 -24.15404 1 4293 +ATOM O O . THR C0 3 126 . 126 THR C0 O 95.31 -19.587399 3.9359784 -24.969868 1 4294 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 95.31 -22.65513 5.2028885 -24.635563 1 4295 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 93.75 -22.451683 5.0968924 -26.044628 1 4296 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 92.58 -23.507233 6.432447 -24.340305 1 4297 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 95.7 -20.89094 2.9612324 -23.415358 1 4298 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 94.92 -20.244396 1.6647292 -23.544352 1 4299 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 95.31 -18.753685 1.7096788 -23.265789 1 4300 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 94.53 -17.985134 1.0136329 -23.926727 1 4301 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 93.75 -18.345024 2.5296845 -22.298313 1 4302 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 93.75 -16.927689 2.6484332 -21.969395 1 4303 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 93.36 -16.44713 1.3548565 -21.304249 1 4304 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 92.58 -17.044334 0.88327515 -20.336657 1 4305 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 94.53 -16.665154 3.853828 -21.047394 1 4306 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 94.14 -17.138416 5.150749 -21.724648 1 4307 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 93.36 -15.167273 3.9411998 -20.708057 1 4308 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 92.97 -17.08083 6.368907 -20.811024 1 4309 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 92.58 -15.374325 0.80188006 -21.857807 1 4310 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 92.19 -14.784407 -0.41911578 -21.317564 1 4311 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 92.19 -13.687151 -0.075847 -20.312958 1 4312 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 91.02 -13.259472 1.081802 -20.197605 1 4313 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 91.41 -14.1997 -1.2782781 -22.437366 1 4314 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 87.89 -15.153553 -1.5258422 -23.597313 1 4315 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 84.77 -16.388077 -2.2985656 -23.16475 1 4316 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 81.25 -17.300964 -2.5707192 -24.34964 1 4317 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 77.34 -18.510324 -3.2751255 -23.94659 1 4318 +ATOM N N . SER C0 3 130 . 130 SER C0 N 90.23 -13.214877 -1.087163 -19.570251 1 4319 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 89.45 -12.207701 -0.8558345 -18.544342 1 4320 +ATOM C C . SER C0 3 130 . 130 SER C0 C 89.45 -10.873487 -0.36286548 -19.122673 1 4321 +ATOM O O . SER C0 3 130 . 130 SER C0 O 88.28 -10.084698 0.24675909 -18.401812 1 4322 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 87.89 -11.984836 -2.1322775 -17.722109 1 4323 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 85.55 -11.580496 -3.19866 -18.540596 1 4324 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 90.62 -10.625612 -0.61275315 -20.434294 1 4325 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 89.84 -9.387556 -0.14501819 -21.051792 1 4326 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 89.84 -9.527109 1.2716017 -21.605843 1 4327 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 89.06 -8.613239 1.7791554 -22.241806 1 4328 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 89.45 -8.925325 -1.1049793 -22.15491 1 4329 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 89.06 -9.879967 -1.170196 -23.34208 1 4330 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 87.89 -10.925518 -0.4906968 -23.334068 1 4331 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 85.94 -9.567307 -1.9159459 -24.293129 1 4332 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 92.58 -10.674252 1.9073484 -21.358665 1 4333 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 92.58 -10.894075 3.2775764 -21.773071 1 4334 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 93.36 -11.511778 3.4511144 -23.144241 1 4335 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 92.97 -11.6757965 4.5904675 -23.593456 1 4336 +ATOM N N . SER C0 3 133 . 133 SER C0 N 94.92 -11.859749 2.373668 -23.836723 1 4337 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 94.92 -12.464888 2.4640126 -25.158722 1 4338 +ATOM C C . SER C0 3 133 . 133 SER C0 C 95.31 -13.989746 2.5086803 -25.053154 1 4339 +ATOM O O . SER C0 3 133 . 133 SER C0 O 94.92 -14.567486 2.0663114 -24.055069 1 4340 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 94.53 -12.034283 1.2833034 -26.03482 1 4341 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 91.41 -12.543621 0.06555162 -25.53801 1 4342 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 96.09 -14.6117935 3.0613954 -26.102226 1 4343 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 96.48 -16.061947 3.1405187 -26.11404 1 4344 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 96.48 -16.552471 3.9228296 -27.318619 1 4345 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 96.09 -15.77974 4.241665 -28.22568 1 4346 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 96.88 -17.85435 4.2232437 -27.349148 1 4347 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 96.48 -18.453306 5.0204515 -28.409864 1 4348 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 97.27 -18.410976 6.4930553 -28.026493 1 4349 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 96.48 -18.414993 6.8269243 -26.830807 1 4350 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 96.09 -19.90411 4.5969543 -28.646816 1 4351 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 91.8 -20.06765 3.1684964 -29.12608 1 4352 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 88.67 -21.547144 2.8511286 -29.333542 1 4353 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 83.59 -21.739262 1.4288692 -29.828562 1 4354 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 79.3 -23.176258 1.1253452 -30.01979 1 4355 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 97.27 -18.366152 7.3708067 -29.040224 1 4356 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 97.27 -18.302708 8.801564 -28.772888 1 4357 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 96.88 -19.209381 9.584489 -29.715595 1 4358 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 96.88 -19.384193 9.209138 -30.871634 1 4359 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 96.48 -16.868263 9.308936 -28.897224 1 4360 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 96.48 -19.789757 10.666835 -29.21223 1 4361 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 96.88 -20.58894 11.590407 -30.00151 1 4362 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 96.48 -20.23805 13.002747 -29.57637 1 4363 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 96.48 -20.083805 13.269466 -28.37812 1 4364 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 96.48 -22.0942 11.379469 -29.767178 1 4365 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 92.58 -22.674309 10.101027 -30.322754 1 4366 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 91.02 -24.188463 10.074799 -30.087744 1 4367 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 87.5 -24.806355 8.80406 -30.63839 1 4368 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 84.38 -26.276045 8.794807 -30.423111 1 4369 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 96.48 -20.100353 13.900093 -30.55974 1 4370 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 96.48 -19.950407 15.31328 -30.239876 1 4371 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 96.88 -21.228264 15.996309 -30.711803 1 4372 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 96.48 -21.502134 16.032711 -31.912144 1 4373 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 96.09 -18.721416 15.930037 -30.908743 1 4374 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 94.92 -18.528141 17.393127 -30.48814 1 4375 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 94.14 -17.243612 18.01876 -30.974234 1 4376 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 92.19 -16.881165 17.797327 -32.141365 1 4377 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 91.41 -16.583286 18.739906 -30.191109 1 4378 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 96.09 -22.011024 16.480164 -29.781952 1 4379 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 95.7 -23.27942 17.12133 -30.088066 1 4380 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 95.31 -23.043997 18.618082 -30.250168 1 4381 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 94.92 -22.841093 19.33862 -29.271328 1 4382 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 95.7 -24.329311 16.847076 -28.98742 1 4383 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 93.75 -25.67796 17.449081 -29.381687 1 4384 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 93.36 -24.46762 15.349026 -28.751686 1 4385 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 94.92 -23.026878 19.058622 -31.491127 1 4386 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 94.53 -22.810383 20.462234 -31.813332 1 4387 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 93.75 -24.162191 21.118214 -32.090424 1 4388 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 92.58 -25.207798 20.475899 -31.972715 1 4389 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 94.53 -21.881666 20.583046 -33.027985 1 4390 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 94.14 -20.489782 19.996773 -32.800797 1 4391 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 92.19 -19.777096 19.722504 -34.114563 1 4392 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 91.41 -19.66196 20.92423 -31.918253 1 4393 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 92.97 -24.162075 22.388771 -32.464096 1 4394 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 91.8 -25.418224 23.070911 -32.723442 1 4395 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 91.41 -26.043121 22.559818 -34.02594 1 4396 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 89.45 -25.538593 22.839884 -35.11415 1 4397 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 89.45 -25.219608 24.588669 -32.794117 1 4398 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 84.38 -26.526394 25.357452 -32.98535 1 4399 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 80.08 -26.300148 26.85949 -33.04597 1 4400 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 76.56 -27.619547 27.589897 -33.263947 1 4401 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 71.88 -27.4384 29.037848 -33.362503 1 4402 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 92.97 -27.098213 21.794012 -33.88793 1 4403 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 92.19 -27.836506 21.31755 -35.041832 1 4404 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 92.97 -27.349611 20.040516 -35.69127 1 4405 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 91.8 -28.005943 19.546265 -36.61652 1 4406 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 94.53 -26.229412 19.495796 -35.269485 1 4407 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 94.92 -25.743612 18.243034 -35.85083 1 4408 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 94.92 -24.828243 17.509937 -34.890415 1 4409 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 94.53 -24.362677 18.081823 -33.89332 1 4410 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 94.14 -25.04361 18.478603 -37.19896 1 4411 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 93.75 -23.807175 19.357025 -37.139713 1 4412 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 91.8 -23.914595 20.739983 -37.04245 1 4413 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 91.02 -22.53925 18.801567 -37.216553 1 4414 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 89.84 -22.791992 21.548597 -37.01112 1 4415 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 89.45 -21.411678 19.606342 -37.188583 1 4416 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 90.62 -21.542002 20.97093 -37.08271 1 4417 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 90.62 -20.42878 21.766842 -37.054543 1 4418 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 96.09 -24.570118 16.248709 -35.193604 1 4419 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 96.09 -23.787043 15.370935 -34.3275 1 4420 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 95.7 -22.680576 14.681898 -35.12549 1 4421 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 95.31 -22.9136 14.225518 -36.249023 1 4422 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 95.7 -24.693897 14.307581 -33.66896 1 4423 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 92.97 -23.870884 13.331851 -32.83846 1 4424 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 92.19 -25.76661 14.967 -32.812164 1 4425 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 96.48 -21.484985 14.635499 -34.547653 1 4426 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 96.48 -20.386414 13.864595 -35.11215 1 4427 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 96.48 -20.250904 12.60775 -34.266647 1 4428 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 96.09 -20.292217 12.677153 -33.031845 1 4429 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 96.09 -19.072937 14.655455 -35.073666 1 4430 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 94.14 -19.061962 16.015326 -35.776817 1 4431 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 91.8 -17.662971 16.609516 -35.718464 1 4432 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 90.62 -19.530827 15.906044 -37.21678 1 4433 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 96.88 -20.101452 11.466253 -34.911217 1 4434 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 96.48 -20.001123 10.195281 -34.20724 1 4435 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 96.88 -18.64197 9.544853 -34.431442 1 4436 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 96.09 -18.01818 9.731213 -35.4693 1 4437 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 95.7 -21.111073 9.240567 -34.65813 1 4438 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 91.02 -22.505339 9.774113 -34.38379 1 4439 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 88.28 -23.594528 8.784824 -34.741894 1 4440 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 85.55 -24.551403 8.633039 -33.95582 1 4441 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 85.16 -23.494719 8.1607 -35.813255 1 4442 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 96.48 -18.208185 8.782236 -33.42448 1 4443 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 96.09 -16.916862 8.116787 -33.5317 1 4444 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 96.48 -16.628757 7.2053356 -32.370026 1 4445 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 96.09 -17.537338 6.560953 -31.836878 1 4446 +ATOM N N . THR C0 3 148 . 148 THR C0 N 96.48 -15.35792 7.144081 -32.003963 1 4447 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 96.48 -14.930233 6.231191 -30.951002 1 4448 +ATOM C C . THR C0 3 148 . 148 THR C0 C 96.48 -14.032205 6.922964 -29.929352 1 4449 +ATOM O O . THR C0 3 148 . 148 THR C0 O 96.48 -13.425636 7.955601 -30.21354 1 4450 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 96.09 -14.17787 5.021235 -31.531017 1 4451 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 92.19 -13.021196 5.48487 -32.23227 1 4452 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 91.02 -15.056248 4.2232504 -32.482136 1 4453 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 96.09 -13.98278 6.322432 -28.747643 1 4454 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 96.48 -13.104347 6.7585516 -27.671707 1 4455 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 96.09 -12.056375 5.6822147 -27.434246 1 4456 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 95.7 -12.387607 4.491727 -27.413925 1 4457 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 95.7 -13.912378 6.982838 -26.388988 1 4458 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 94.92 -13.119498 7.2108073 -25.095818 1 4459 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 93.36 -14.036159 7.0633516 -23.886236 1 4460 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 92.58 -12.442301 8.574854 -25.116549 1 4461 +ATOM N N . THR C0 3 150 . 150 THR C0 N 94.92 -10.8056135 6.0760174 -27.313093 1 4462 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 94.14 -9.740143 5.1892223 -26.872602 1 4463 +ATOM C C . THR C0 3 150 . 150 THR C0 C 93.75 -9.170937 5.806378 -25.601711 1 4464 +ATOM O O . THR C0 3 150 . 150 THR C0 O 92.58 -9.572703 6.902586 -25.192024 1 4465 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 93.75 -8.6209345 5.03382 -27.921528 1 4466 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 91.02 -7.9078865 6.259656 -28.042305 1 4467 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 89.45 -9.1869545 4.6231174 -29.271902 1 4468 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 91.02 -8.232606 5.114892 -24.961702 1 4469 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 90.23 -7.6359653 5.631982 -23.743338 1 4470 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 91.02 -6.8903 6.9401455 -23.991737 1 4471 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 89.45 -6.701183 7.7335625 -23.065111 1 4472 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 88.28 -6.6843243 4.596413 -23.138386 1 4473 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 91.8 -6.4824767 7.178241 -25.246002 1 4474 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 91.8 -5.6814804 8.340361 -25.585247 1 4475 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 92.97 -6.445424 9.483233 -26.247051 1 4476 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 91.8 -6.0461493 10.644733 -26.108898 1 4477 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 89.84 -4.5189657 7.941719 -26.494274 1 4478 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 84.77 -3.5525084 6.948536 -25.855644 1 4479 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 80.86 -2.8737197 7.498928 -24.6185 1 4480 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 76.95 -2.601742 6.7204533 -23.69162 1 4481 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 75.0 -2.6204443 8.725822 -24.55957 1 4482 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 95.31 -7.524543 9.178007 -26.983759 1 4483 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 95.7 -8.213405 10.241352 -27.703 1 4484 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 96.09 -9.628342 9.871968 -28.125782 1 4485 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 95.31 -10.005415 8.698183 -28.116825 1 4486 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 94.53 -7.4159117 10.636443 -28.94825 1 4487 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 92.97 -7.34196 9.534433 -29.997938 1 4488 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 91.02 -6.537491 9.973583 -31.206709 1 4489 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 87.89 -6.446996 8.84542 -32.22245 1 4490 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 84.38 -5.6662955 9.248648 -33.402794 1 4491 +ATOM N N . THR C0 3 154 . 154 THR C0 N 96.09 -10.367449 10.908676 -28.504383 1 4492 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 96.48 -11.686821 10.750302 -29.09151 1 4493 +ATOM C C . THR C0 3 154 . 154 THR C0 C 96.48 -11.507447 10.984774 -30.59095 1 4494 +ATOM O O . THR C0 3 154 . 154 THR C0 O 95.7 -10.869111 11.965591 -30.98888 1 4495 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 96.48 -12.681129 11.787156 -28.52874 1 4496 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 94.53 -12.8171015 11.606595 -27.125015 1 4497 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 94.14 -14.046608 11.668728 -29.201279 1 4498 +ATOM N N . THR C0 3 155 . 155 THR C0 N 96.88 -12.026771 10.09058 -31.43399 1 4499 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 96.88 -11.938111 10.244839 -32.878082 1 4500 +ATOM C C . THR C0 3 155 . 155 THR C0 C 96.88 -13.356644 10.298453 -33.446663 1 4501 +ATOM O O . THR C0 3 155 . 155 THR C0 O 96.48 -14.112189 9.337871 -33.31779 1 4502 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 96.48 -11.153465 9.094006 -33.520866 1 4503 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 93.36 -9.8255005 9.077072 -32.994705 1 4504 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 92.97 -11.081102 9.270439 -35.041847 1 4505 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 96.48 -13.71492 11.438941 -34.070324 1 4506 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 96.88 -15.037102 11.650558 -34.635468 1 4507 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 96.88 -14.912402 11.656645 -36.15468 1 4508 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 96.48 -14.065636 12.365864 -36.705643 1 4509 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 96.88 -15.622004 12.964272 -34.12312 1 4510 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 95.7 -15.70304 13.024825 -32.59175 1 4511 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 94.14 -15.675428 14.456158 -32.092705 1 4512 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 93.36 -16.923683 12.277522 -32.093414 1 4513 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 96.09 -15.750898 10.874278 -36.83579 1 4514 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 96.09 -15.584686 10.627803 -38.264793 1 4515 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 96.09 -16.793655 11.073111 -39.095596 1 4516 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 96.09 -17.940456 10.862369 -38.702217 1 4517 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 95.7 -15.302856 9.1318245 -38.522972 1 4518 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 92.58 -15.225189 8.833992 -40.015854 1 4519 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 91.8 -14.018366 8.71105 -37.829346 1 4520 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 96.09 -16.511383 11.691308 -40.252373 1 4521 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 96.09 -17.537304 12.0420685 -41.22871 1 4522 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 96.09 -17.092314 11.440956 -42.55786 1 4523 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 95.7 -15.969997 11.691257 -43.00815 1 4524 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 95.7 -17.70696 13.56745 -41.382103 1 4525 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 92.97 -18.777496 13.876888 -42.42872 1 4526 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 91.8 -18.056618 14.207294 -40.047787 1 4527 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 95.7 -17.952114 10.639626 -43.16459 1 4528 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 94.92 -17.624725 9.988294 -44.430294 1 4529 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 94.92 -18.480259 10.553474 -45.56845 1 4530 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 93.75 -19.691055 10.751596 -45.403908 1 4531 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 94.14 -17.83563 8.473799 -44.34288 1 4532 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 89.06 -16.927465 7.7920165 -43.345154 1 4533 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 85.55 -17.206308 6.289403 -43.313538 1 4534 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 81.64 -16.311886 5.599629 -42.296333 1 4535 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 77.34 -16.590097 4.1454816 -42.215942 1 4536 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 94.92 -17.85223 10.818922 -46.72173 1 4537 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 94.53 -18.54543 11.285709 -47.915 1 4538 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 94.53 -17.819862 10.705818 -49.128353 1 4539 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 94.14 -16.709274 11.118233 -49.44084 1 4540 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 93.36 -18.577576 12.806759 -47.982803 1 4541 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 91.02 -19.197613 13.355654 -49.26512 1 4542 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 89.06 -20.634312 12.935542 -49.496326 1 4543 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 86.33 -21.38251 12.680355 -48.521336 1 4544 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 85.55 -21.034771 12.850553 -50.67192 1 4545 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 94.14 -18.462078 9.7415285 -49.78983 1 4546 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 93.75 -17.841019 9.0851555 -50.924023 1 4547 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 94.14 -16.56829 8.376756 -50.50803 1 4548 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 93.75 -16.571117 7.563657 -49.587452 1 4549 +ATOM N N . THR C0 3 162 . 162 THR C0 N 95.31 -15.455403 8.724225 -51.17935 1 4550 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 95.31 -14.169418 8.119616 -50.859993 1 4551 +ATOM C C . THR C0 3 162 . 162 THR C0 C 95.31 -13.4097595 8.879817 -49.77112 1 4552 +ATOM O O . THR C0 3 162 . 162 THR C0 O 94.92 -12.303852 8.479277 -49.39038 1 4553 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 94.53 -13.280224 8.054297 -52.115704 1 4554 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 92.58 -13.070853 9.382164 -52.608757 1 4555 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 91.41 -13.91856 7.220666 -53.219875 1 4556 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 95.7 -14.016939 9.97391 -49.290092 1 4557 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 96.09 -13.34318 10.841624 -48.327187 1 4558 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 95.7 -13.793413 10.566631 -46.89157 1 4559 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 95.31 -14.988191 10.43325 -46.6231 1 4560 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 95.31 -13.5768175 12.33164 -48.662766 1 4561 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 92.97 -12.860347 13.233044 -47.666847 1 4562 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 91.8 -13.129417 12.6447935 -50.084175 1 4563 +ATOM N N . THR C0 3 164 . 164 THR C0 N 95.7 -12.826496 10.486317 -45.966873 1 4564 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 95.7 -13.103214 10.333673 -44.544968 1 4565 +ATOM C C . THR C0 3 164 . 164 THR C0 C 95.7 -12.3812275 11.447037 -43.8013 1 4566 +ATOM O O . THR C0 3 164 . 164 THR C0 O 95.31 -11.162165 11.581662 -43.903717 1 4567 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 95.31 -12.635968 8.974607 -44.016487 1 4568 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 91.41 -13.349871 7.929764 -44.687294 1 4569 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 90.62 -12.884325 8.854468 -42.519333 1 4570 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 96.48 -13.155319 12.270383 -43.05378 1 4571 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 96.09 -12.581845 13.306591 -42.21144 1 4572 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 96.09 -12.604221 12.805648 -40.776417 1 4573 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 95.7 -13.6296215 12.294912 -40.311523 1 4574 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 95.7 -13.383909 14.6081295 -42.328056 1 4575 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 94.14 -12.913607 15.796703 -41.506836 1 4576 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 92.19 -13.099545 17.10125 -42.27754 1 4577 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 91.41 -13.622168 15.852594 -40.152245 1 4578 +ATOM N N . SER C0 3 166 . 166 SER C0 N 96.88 -11.469778 12.913752 -40.077118 1 4579 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 96.48 -11.369402 12.468254 -38.693436 1 4580 +ATOM C C . SER C0 3 166 . 166 SER C0 C 96.88 -10.973613 13.631264 -37.804844 1 4581 +ATOM O O . SER C0 3 166 . 166 SER C0 O 96.09 -9.915498 14.232088 -37.998184 1 4582 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 96.09 -10.350811 11.338333 -38.56111 1 4583 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 90.62 -10.737882 10.214903 -39.32843 1 4584 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 96.88 -11.829455 13.9487915 -36.833054 1 4585 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 96.48 -11.535783 14.990351 -35.850277 1 4586 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 96.48 -11.096542 14.304394 -34.56684 1 4587 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 96.09 -11.831639 13.46853 -34.021286 1 4588 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 96.09 -12.767107 15.8639965 -35.57776 1 4589 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 95.31 -12.54323 16.908934 -34.50133 1 4590 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 94.14 -13.812969 17.700844 -34.23526 1 4591 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 92.97 -13.597219 18.698904 -33.10113 1 4592 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 91.02 -14.807853 19.461443 -32.825634 1 4593 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 96.88 -9.898436 14.615341 -34.10623 1 4594 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 96.48 -9.345285 14.015996 -32.903904 1 4595 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 96.09 -9.315578 15.006076 -31.751696 1 4596 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 95.31 -8.893795 16.150234 -31.918371 1 4597 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 96.48 -7.9292183 13.500515 -33.162598 1 4598 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 93.36 -7.882476 12.457174 -34.24949 1 4599 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 90.23 -8.684509 11.517693 -34.261887 1 4600 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 89.45 -6.956042 12.587805 -35.18004 1 4601 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 95.7 -9.793585 14.573406 -30.58322 1 4602 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 95.7 -9.700708 15.360048 -29.356268 1 4603 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 95.7 -8.815088 14.543852 -28.421255 1 4604 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 94.92 -9.222346 13.483356 -27.938915 1 4605 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 95.7 -11.084067 15.605106 -28.719099 1 4606 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 94.53 -12.022616 16.278122 -29.72628 1 4607 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 94.14 -10.941902 16.481857 -27.466988 1 4608 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 92.19 -13.451672 16.423029 -29.247532 1 4609 +ATOM N N . SER C0 3 170 . 170 SER C0 N 94.53 -7.5874376 15.010151 -28.213367 1 4610 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 93.75 -6.6148176 14.27083 -27.423336 1 4611 +ATOM C C . SER C0 3 170 . 170 SER C0 C 94.14 -6.969836 14.260906 -25.934994 1 4612 +ATOM O O . SER C0 3 170 . 170 SER C0 O 92.97 -7.855789 14.98642 -25.487158 1 4613 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 93.36 -5.2144866 14.854208 -27.6125 1 4614 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 89.84 -5.1011662 16.10186 -26.946926 1 4615 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 91.41 -6.2581654 13.440483 -25.167017 1 4616 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 90.62 -6.463154 13.348574 -23.732033 1 4617 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 90.62 -6.241416 14.699963 -23.064238 1 4618 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 89.45 -6.8819637 15.019783 -22.05896 1 4619 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 89.06 -5.5274954 12.28631 -23.132797 1 4620 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 84.77 -5.778461 11.9891615 -21.670088 1 4621 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 80.86 -4.8705254 10.86348 -21.188948 1 4622 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 76.56 -5.127638 10.537386 -19.725113 1 4623 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 71.48 -4.279603 9.428942 -19.247389 1 4624 +ATOM N N . SER C0 3 172 . 172 SER C0 N 91.02 -5.351299 15.524183 -23.653152 1 4625 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 89.84 -5.0590196 16.85383 -23.126678 1 4626 +ATOM C C . SER C0 3 172 . 172 SER C0 C 90.23 -6.084133 17.893282 -23.573542 1 4627 +ATOM O O . SER C0 3 172 . 172 SER C0 O 88.67 -6.02752 19.045902 -23.130028 1 4628 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 88.67 -3.6579313 17.30471 -23.54384 1 4629 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 86.72 -3.5784056 17.476646 -24.942465 1 4630 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 90.62 -7.01437 17.508865 -24.442806 1 4631 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 90.23 -8.036071 18.413273 -24.937965 1 4632 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 90.62 -7.6909785 19.09761 -26.246399 1 4633 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 89.84 -8.485695 19.889194 -26.75544 1 4634 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 93.75 -6.5169754 18.795319 -26.818123 1 4635 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 93.75 -6.0977054 19.407253 -28.071058 1 4636 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 94.53 -6.8355813 18.785114 -29.252075 1 4637 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 93.75 -6.9670386 17.564598 -29.334366 1 4638 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 91.8 -4.5855975 19.256319 -28.251625 1 4639 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 86.33 -4.054549 19.93101 -29.505623 1 4640 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 81.25 -2.5505452 19.815773 -29.642923 1 4641 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 77.73 -1.8423014 20.050388 -28.635838 1 4642 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 76.17 -2.0657952 19.490747 -30.740404 1 4643 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 94.92 -7.2998075 19.640413 -30.17563 1 4644 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 94.92 -8.03434 19.182201 -31.34829 1 4645 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 95.31 -7.116612 19.14309 -32.568127 1 4646 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 94.53 -6.3080034 20.046263 -32.774986 1 4647 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 94.14 -9.245251 20.099365 -31.637526 1 4648 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 91.41 -9.914167 19.715536 -32.958893 1 4649 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 90.62 -10.250741 20.029366 -30.496387 1 4650 +ATOM N N . SER C0 3 176 . 176 SER C0 N 96.48 -7.233034 18.09591 -33.361893 1 4651 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 96.09 -6.536812 17.98898 -34.63898 1 4652 +ATOM C C . SER C0 3 176 . 176 SER C0 C 96.48 -7.4873476 17.325659 -35.620846 1 4653 +ATOM O O . SER C0 3 176 . 176 SER C0 O 95.7 -8.350025 16.543228 -35.22773 1 4654 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 95.31 -5.2366285 17.197973 -34.517242 1 4655 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 90.23 -5.489298 15.856055 -34.18564 1 4656 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 96.48 -7.362547 17.672497 -36.89378 1 4657 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 96.48 -8.245272 17.113825 -37.907494 1 4658 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 96.09 -7.413735 16.589722 -39.073196 1 4659 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 95.31 -6.4581776 17.241407 -39.502956 1 4660 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 96.09 -9.261808 18.163464 -38.417786 1 4661 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 93.75 -10.254605 17.535843 -39.39057 1 4662 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 92.58 -10.00506 18.803877 -37.250847 1 4663 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 96.48 -7.761547 15.425033 -39.575615 1 4664 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 96.09 -7.067849 14.842028 -40.71184 1 4665 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 96.09 -8.083912 14.329691 -41.718185 1 4666 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 95.7 -9.250394 14.117224 -41.3931 1 4667 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 95.31 -6.1146045 13.721156 -40.284645 1 4668 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 89.06 -6.782649 12.561344 -39.58426 1 4669 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 85.55 -5.782977 11.5426655 -39.068768 1 4670 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 82.81 -4.5621014 11.783962 -39.15617 1 4671 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 81.64 -6.2079773 10.488327 -38.56366 1 4672 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 95.7 -7.618779 14.143594 -42.960777 1 4673 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 95.7 -8.482194 13.694238 -44.042915 1 4674 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 95.7 -7.8061495 12.587461 -44.83087 1 4675 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 94.53 -6.6056433 12.652882 -45.092934 1 4676 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 95.31 -8.815589 14.87862 -44.962814 1 4677 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 93.36 -9.768019 14.6541 -46.13536 1 4678 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 91.41 -10.614351 15.889975 -46.381058 1 4679 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 90.62 -9.022962 14.244938 -47.404015 1 4680 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 96.09 -8.5811825 11.556484 -45.180172 1 4681 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 95.31 -8.0837555 10.459566 -45.99877 1 4682 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 95.7 -9.03841 10.254448 -47.17167 1 4683 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 94.53 -10.254522 10.211989 -46.98798 1 4684 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 93.75 -7.973088 9.171651 -45.18402 1 4685 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 87.89 -7.4687147 8.010469 -46.018707 1 4686 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 83.98 -6.3712864 8.071448 -46.575977 1 4687 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 82.42 -8.235037 6.9562945 -46.123425 1 4688 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 95.31 -8.485762 10.158211 -48.384666 1 4689 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 95.31 -9.277838 9.949968 -49.589046 1 4690 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 94.92 -8.748749 8.711868 -50.307682 1 4691 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 94.53 -7.5678115 8.657211 -50.65383 1 4692 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 95.31 -9.192957 11.184322 -50.50226 1 4693 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 94.92 -10.187595 11.150955 -51.656845 1 4694 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 92.58 -10.876965 10.119641 -51.841614 1 4695 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 91.8 -10.285128 12.157284 -52.392136 1 4696 +ATOM N N . THR C0 3 182 . 182 THR C0 N 95.31 -9.615147 7.718628 -50.5225 1 4697 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 94.53 -9.202333 6.48055 -51.182407 1 4698 +ATOM C C . THR C0 3 182 . 182 THR C0 C 94.53 -9.249636 6.576183 -52.704453 1 4699 +ATOM O O . THR C0 3 182 . 182 THR C0 O 92.97 -8.917007 5.612658 -53.401634 1 4700 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 94.14 -10.07958 5.296282 -50.726746 1 4701 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 92.19 -11.450647 5.59916 -51.000896 1 4702 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 91.02 -9.90774 5.0415163 -49.237297 1 4703 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 93.75 -9.677848 7.742268 -53.24984 1 4704 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 93.36 -9.725968 7.9547024 -54.695538 1 4705 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 93.36 -8.314067 7.7714367 -55.254314 1 4706 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 92.19 -7.3753157 8.409613 -54.77803 1 4707 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 92.58 -10.242801 9.365751 -54.998367 1 4708 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 90.62 -10.61549 9.571031 -56.459553 1 4709 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 88.67 -10.04404 8.890093 -57.340797 1 4710 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 87.5 -11.482049 10.431999 -56.74121 1 4711 +ATOM N N . SER C0 3 184 . 184 SER C0 N 91.8 -8.170195 6.9039927 -56.272224 1 4712 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 91.41 -6.848196 6.6180778 -56.82623 1 4713 +ATOM C C . SER C0 3 184 . 184 SER C0 C 91.41 -6.4234047 7.611822 -57.902378 1 4714 +ATOM O O . SER C0 3 184 . 184 SER C0 O 89.45 -5.2757015 7.5847807 -58.35146 1 4715 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 89.45 -6.8122973 5.2027845 -57.407127 1 4716 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 85.94 -7.7758484 5.0617523 -58.437862 1 4717 +ATOM N N . SER C0 3 185 . 185 SER C0 N 91.8 -7.3320665 8.513601 -58.344734 1 4718 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 91.8 -7.025937 9.491396 -59.373512 1 4719 +ATOM C C . SER C0 3 185 . 185 SER C0 C 91.8 -6.370849 10.732466 -58.771675 1 4720 +ATOM O O . SER C0 3 185 . 185 SER C0 O 90.62 -6.9647036 11.396986 -57.91512 1 4721 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 90.62 -8.29509 9.891694 -60.126244 1 4722 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 87.89 -8.045706 10.9704075 -61.015266 1 4723 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 90.62 -5.1731744 11.07703 -59.249012 1 4724 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 90.23 -4.4708285 12.248386 -58.751648 1 4725 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 91.02 -5.22758 13.535753 -59.064865 1 4726 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 89.06 -5.0712385 14.537842 -58.357132 1 4727 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 88.28 -3.0717587 12.310373 -59.34813 1 4728 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 91.41 -6.052556 13.534281 -60.112198 1 4729 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 91.41 -6.7834826 14.722551 -60.52375 1 4730 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 91.8 -7.951311 15.048767 -59.60259 1 4731 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 90.23 -8.374532 16.2048 -59.52469 1 4732 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 90.23 -7.284546 14.5566025 -61.964874 1 4733 +ATOM N N . THR C0 3 188 . 188 THR C0 N 92.97 -8.492104 14.061768 -58.882164 1 4734 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 92.58 -9.646376 14.271528 -58.024864 1 4735 +ATOM C C . THR C0 3 188 . 188 THR C0 C 93.36 -9.417495 13.908649 -56.562252 1 4736 +ATOM O O . THR C0 3 188 . 188 THR C0 O 92.97 -10.267449 14.202206 -55.709015 1 4737 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 91.41 -10.8597145 13.484602 -58.548325 1 4738 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 88.28 -10.514492 12.100906 -58.60391 1 4739 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 86.72 -11.273851 13.9626255 -59.94063 1 4740 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 93.75 -8.292124 13.278461 -56.24803 1 4741 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 94.14 -7.995804 12.866317 -54.875668 1 4742 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 94.14 -7.810178 14.07633 -53.968304 1 4743 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 93.36 -7.020088 14.981436 -54.27279 1 4744 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 93.75 -6.733387 11.995623 -54.846306 1 4745 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 91.8 -6.3837094 11.468884 -53.474598 1 4746 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 90.23 -5.1126976 10.632606 -53.53071 1 4747 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 87.5 -4.7452254 10.084841 -52.158173 1 4748 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 84.77 -5.7396965 9.05847 -51.70581 1 4749 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 95.31 -8.5386715 14.104382 -52.853706 1 4750 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 94.92 -8.441605 15.1892395 -51.87581 1 4751 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 94.92 -7.331257 14.91578 -50.873978 1 4752 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 94.53 -7.1987286 13.787924 -50.391594 1 4753 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 94.53 -9.758415 15.388041 -51.1222 1 4754 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 92.58 -10.822072 16.163887 -51.886925 1 4755 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 91.02 -11.5357275 15.266949 -52.895386 1 4756 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 88.67 -12.686315 16.019464 -53.559605 1 4757 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 86.33 -13.348794 15.152973 -54.567757 1 4758 +ATOM N N . THR C0 3 191 . 191 THR C0 N 95.31 -6.548938 15.920642 -50.55577 1 4759 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 94.92 -5.5517383 15.857362 -49.500416 1 4760 +ATOM C C . THR C0 3 191 . 191 THR C0 C 95.7 -5.786967 17.061855 -48.59509 1 4761 +ATOM O O . THR C0 3 191 . 191 THR C0 O 95.31 -6.4946632 18.001171 -48.966675 1 4762 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 94.14 -4.11065 15.883183 -50.04587 1 4763 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 89.84 -3.907116 17.07579 -50.795128 1 4764 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 88.67 -3.8423867 14.680034 -50.93451 1 4765 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 95.7 -5.219373 17.034824 -47.38527 1 4766 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 96.09 -5.4512215 18.14333 -46.464806 1 4767 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 95.7 -4.2813606 18.314472 -45.50261 1 4768 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 94.92 -3.5597901 17.366741 -45.21445 1 4769 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 95.31 -6.7395906 17.93669 -45.689278 1 4770 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 95.7 -4.120931 19.55574 -45.01855 1 4771 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 95.7 -3.0889666 19.892323 -44.054222 1 4772 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 96.09 -3.7408948 20.607695 -42.873016 1 4773 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 95.31 -4.573028 21.497448 -43.063644 1 4774 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 94.53 -2.0162048 20.77667 -44.678036 1 4775 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 95.7 -3.3517714 20.188915 -41.65756 1 4776 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 95.7 -3.9081185 20.773346 -40.434963 1 4777 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 95.7 -2.953262 21.80786 -39.844673 1 4778 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 94.92 -1.7499323 21.542814 -39.712593 1 4779 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 95.7 -4.194911 19.69485 -39.40098 1 4780 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 95.31 -4.6520557 20.18354 -38.06719 1 4781 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 93.75 -3.944238 20.129684 -36.893486 1 4782 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 94.53 -5.901455 20.784073 -37.750507 1 4783 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 92.97 -4.7029376 20.654745 -35.870102 1 4784 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 93.75 -5.8894715 21.069996 -36.365604 1 4785 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 93.75 -7.0349154 21.129492 -38.510918 1 4786 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 93.75 -6.978115 21.663765 -35.719963 1 4787 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 93.75 -8.116508 21.717857 -37.868362 1 4788 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 93.75 -8.069722 21.980782 -36.49498 1 4789 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 95.7 -3.4672625 22.971039 -39.51937 1 4790 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 95.31 -2.6964507 24.033783 -38.876915 1 4791 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 95.31 -3.2727036 24.215504 -37.47296 1 4792 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 94.53 -4.344001 24.807144 -37.30952 1 4793 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 94.92 -2.7942014 25.336372 -39.679993 1 4794 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 92.58 -1.9186078 26.43668 -39.11397 1 4795 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 90.23 -1.6935446 26.509785 -37.909054 1 4796 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 89.06 -1.4265094 27.319382 -39.985542 1 4797 +ATOM N N . SER C0 3 196 . 196 SER C0 N 94.92 -2.5618749 23.695278 -36.464725 1 4798 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 94.14 -3.0565891 23.755455 -35.097435 1 4799 +ATOM C C . SER C0 3 196 . 196 SER C0 C 94.53 -3.101099 25.169804 -34.541183 1 4800 +ATOM O O . SER C0 3 196 . 196 SER C0 O 92.97 -3.9042459 25.466871 -33.653828 1 4801 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 92.58 -2.203227 22.86784 -34.1905 1 4802 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 88.67 -0.8613417 23.306347 -34.166847 1 4803 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 94.14 -2.2517724 26.06464 -35.06259 1 4804 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 93.75 -2.2332218 27.435438 -34.594437 1 4805 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 93.75 -3.497806 28.203299 -34.92504 1 4806 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 92.97 -3.9213343 29.073456 -34.16432 1 4807 +ATOM N N . THR C0 3 198 . 198 THR C0 N 94.92 -4.107732 27.888916 -36.082703 1 4808 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 94.53 -5.325959 28.548954 -36.515446 1 4809 +ATOM C C . THR C0 3 198 . 198 THR C0 C 94.53 -6.5382113 27.625721 -36.5019 1 4810 +ATOM O O . THR C0 3 198 . 198 THR C0 O 94.14 -7.638376 28.041544 -36.85915 1 4811 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 94.14 -5.1605616 29.135515 -37.93296 1 4812 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 91.8 -4.8269234 28.07706 -38.838364 1 4813 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 90.23 -4.0594645 30.191053 -37.980095 1 4814 +ATOM N N . SER C0 3 199 . 199 SER C0 N 95.7 -6.3328114 26.38161 -36.09977 1 4815 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 95.7 -7.390218 25.370153 -36.078697 1 4816 +ATOM C C . SER C0 3 199 . 199 SER C0 C 96.48 -8.058127 25.26401 -37.446728 1 4817 +ATOM O O . SER C0 3 199 . 199 SER C0 O 96.09 -9.278963 25.23016 -37.554085 1 4818 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 94.53 -8.423717 25.700727 -35.00217 1 4819 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 89.84 -7.8337936 25.728283 -33.719128 1 4820 +ATOM N N . THR C0 3 200 . 200 THR C0 N 96.09 -7.225499 25.199451 -38.48577 1 4821 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 96.48 -7.7059155 25.198856 -39.85649 1 4822 +ATOM C C . THR C0 3 200 . 200 THR C0 C 96.09 -7.251042 23.967812 -40.62667 1 4823 +ATOM O O . THR C0 3 200 . 200 THR C0 O 95.7 -6.0712414 23.6179 -40.59839 1 4824 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 95.7 -7.231619 26.462978 -40.59716 1 4825 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 92.97 -7.6930285 27.618126 -39.916065 1 4826 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 92.97 -7.7423363 26.489689 -42.03971 1 4827 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 96.48 -8.197947 23.327911 -41.32791 1 4828 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 96.48 -7.8924675 22.21415 -42.218994 1 4829 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 96.09 -8.003748 22.7454 -43.643116 1 4830 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 96.09 -9.079472 23.169447 -44.06279 1 4831 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 96.48 -8.871096 21.058762 -42.02197 1 4832 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 95.31 -8.543151 19.784466 -42.810963 1 4833 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 92.19 -9.775061 18.908182 -42.990112 1 4834 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 91.41 -7.4252276 19.021166 -42.116127 1 4835 +ATOM N N . THR C0 3 202 . 202 THR C0 N 95.7 -6.894113 22.721457 -44.37735 1 4836 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 95.7 -6.88599 23.203602 -45.747505 1 4837 +ATOM C C . THR C0 3 202 . 202 THR C0 C 95.7 -6.9440107 22.012344 -46.69582 1 4838 +ATOM O O . THR C0 3 202 . 202 THR C0 O 95.31 -6.0450897 21.16702 -46.687927 1 4839 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 95.7 -5.6343617 24.049543 -46.035324 1 4840 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 93.36 -5.614962 25.169193 -45.156006 1 4841 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 92.97 -5.6214633 24.54192 -47.48295 1 4842 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 95.31 -8.000713 21.949814 -47.50757 1 4843 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 95.7 -8.192379 20.837013 -48.43241 1 4844 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 95.31 -7.6067553 21.206028 -49.79634 1 4845 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 94.53 -7.8246183 22.308395 -50.29588 1 4846 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 95.31 -9.68886 20.476864 -48.57146 1 4847 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 94.14 -10.2455015 20.077961 -47.19841 1 4848 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 93.75 -9.888836 19.34373 -49.587975 1 4849 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 91.8 -11.741353 19.815842 -47.18366 1 4850 +ATOM N N . THR C0 3 204 . 204 THR C0 N 95.31 -6.8863688 20.262323 -50.399315 1 4851 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 94.92 -6.216016 20.47017 -51.6715 1 4852 +ATOM C C . THR C0 3 204 . 204 THR C0 C 94.92 -6.607007 19.377254 -52.66415 1 4853 +ATOM O O . THR C0 3 204 . 204 THR C0 O 94.53 -6.72582 18.213385 -52.28706 1 4854 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 94.53 -4.690386 20.48058 -51.485703 1 4855 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 91.02 -4.328355 21.545177 -50.613644 1 4856 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 90.23 -3.9639757 20.655453 -52.81846 1 4857 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 94.53 -6.814594 19.765339 -53.93559 1 4858 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 94.14 -7.091872 18.819187 -55.014473 1 4859 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 93.36 -6.188955 19.183739 -56.194504 1 4860 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 92.58 -6.1458354 20.340343 -56.60817 1 4861 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 93.36 -8.565171 18.86992 -55.459694 1 4862 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 90.62 -8.802968 17.889534 -56.614357 1 4863 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 89.84 -9.49211 18.555481 -54.299355 1 4864 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 92.19 -5.472395 18.233717 -56.71071 1 4865 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 91.8 -4.5733776 18.42902 -57.84862 1 4866 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 92.19 -3.636269 19.618845 -57.610435 1 4867 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 91.02 -3.4754333 20.492973 -58.476368 1 4868 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 90.23 -5.3981934 18.631016 -59.12887 1 4869 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 87.89 -4.5649834 18.44765 -60.388023 1 4870 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 84.38 -3.5477777 17.752304 -60.374413 1 4871 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 83.2 -4.998516 19.056885 -61.49005 1 4872 +ATOM N N . SER C0 3 207 . 207 SER C0 N 91.8 -3.0540879 19.682524 -56.44265 1 4873 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 91.02 -2.0913765 20.69717 -56.01545 1 4874 +ATOM C C . SER C0 3 207 . 207 SER C0 C 91.8 -2.681984 22.094597 -55.872787 1 4875 +ATOM O O . SER C0 3 207 . 207 SER C0 O 90.62 -1.9359442 23.066742 -55.729046 1 4876 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 89.45 -0.8894224 20.746017 -56.96174 1 4877 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 85.55 -0.2288573 19.496622 -56.993004 1 4878 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 93.75 -4.008234 22.230751 -55.889412 1 4879 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 93.36 -4.6626735 23.51178 -55.691387 1 4880 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 94.14 -5.514017 23.484222 -54.428604 1 4881 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 93.75 -6.3108172 22.550016 -54.234943 1 4882 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 92.58 -5.5555496 23.877094 -56.890022 1 4883 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 88.67 -4.806891 24.231014 -58.145065 1 4884 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 85.94 -5.7327824 24.871904 -59.189575 1 4885 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 81.25 -6.9462976 24.002583 -59.501472 1 4886 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 76.95 -7.7962456 24.613876 -60.537716 1 4887 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 94.53 -5.3407354 24.506058 -53.597145 1 4888 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 94.53 -6.1675534 24.60953 -52.39872 1 4889 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 94.14 -7.6044726 24.907207 -52.826534 1 4890 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 93.75 -7.83689 25.738949 -53.716896 1 4891 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 94.14 -5.644334 25.717709 -51.478638 1 4892 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 93.36 -4.264783 25.439377 -50.91965 1 4893 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 92.19 -3.774676 26.618717 -50.089577 1 4894 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 89.84 -2.371244 26.352764 -49.57733 1 4895 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 87.5 -1.8356634 27.497566 -48.82403 1 4896 +ATOM N N . THR C0 3 210 . 210 THR C0 N 94.92 -8.560523 24.228409 -52.20198 1 4897 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 94.53 -9.954527 24.426678 -52.56269 1 4898 +ATOM C C . THR C0 3 210 . 210 THR C0 C 94.92 -10.804613 24.996033 -51.431473 1 4899 +ATOM O O . THR C0 3 210 . 210 THR C0 O 94.14 -11.693252 25.805412 -51.69005 1 4900 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 93.75 -10.604244 23.11095 -53.041615 1 4901 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 91.41 -10.537176 22.143269 -51.99068 1 4902 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 90.23 -9.888237 22.565306 -54.269985 1 4903 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 95.31 -10.566984 24.570059 -50.19504 1 4904 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 95.31 -11.374441 25.019701 -49.061077 1 4905 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 95.7 -10.56436 25.076435 -47.776276 1 4906 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 95.31 -9.586635 24.332844 -47.612923 1 4907 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 94.14 -12.568222 24.081453 -48.82375 1 4908 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 91.41 -13.561117 23.997452 -49.960793 1 4909 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 89.06 -14.676591 23.012403 -49.622543 1 4910 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 85.55 -15.702347 22.92245 -50.743305 1 4911 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 82.03 -15.145091 22.255291 -51.922386 1 4912 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 95.31 -11.004608 25.9314 -46.859993 1 4913 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 95.7 -10.501903 25.96258 -45.49504 1 4914 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 95.31 -11.671 25.641697 -44.5736 1 4915 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 95.31 -12.723533 26.278208 -44.656925 1 4916 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 95.31 -9.948948 27.349201 -45.13571 1 4917 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 94.53 -8.470389 27.506027 -45.420822 1 4918 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 91.41 -7.8651047 26.564714 -45.977516 1 4919 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 90.62 -7.921805 28.574207 -45.075153 1 4920 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 96.09 -11.485243 24.650549 -43.714325 1 4921 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 96.09 -12.460085 24.33929 -42.676777 1 4922 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 96.09 -11.839663 24.808071 -41.365814 1 4923 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 95.7 -10.754292 24.344076 -40.990997 1 4924 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 95.7 -12.756645 22.840147 -42.61387 1 4925 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 94.14 -13.634986 22.258356 -43.719124 1 4926 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 91.8 -13.567985 20.735214 -43.679977 1 4927 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 91.02 -15.066088 22.732477 -43.571957 1 4928 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 95.7 -12.497837 25.741905 -40.68251 1 4929 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 95.7 -11.971409 26.276243 -39.42691 1 4930 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 95.31 -12.803948 25.743599 -38.265465 1 4931 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 94.92 -14.025425 25.89566 -38.24147 1 4932 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 95.31 -11.971668 27.821045 -39.41635 1 4933 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 92.19 -11.417375 28.340288 -38.095673 1 4934 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 91.41 -11.163691 28.36119 -40.593735 1 4935 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 94.92 -12.112344 25.098759 -37.309525 1 4936 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 94.53 -12.763227 24.542292 -36.120483 1 4937 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 93.75 -12.51523 25.520428 -34.97776 1 4938 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 92.19 -11.428105 25.539646 -34.39196 1 4939 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 94.92 -12.202376 23.151253 -35.814415 1 4940 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 94.92 -12.533942 22.13092 -36.868904 1 4941 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 92.58 -11.902298 22.1552 -38.104576 1 4942 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 91.8 -13.487056 21.15937 -36.63951 1 4943 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 91.8 -12.21995 21.231216 -39.089428 1 4944 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 91.8 -13.801041 20.230618 -37.621864 1 4945 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 93.75 -13.1734085 20.26402 -38.85015 1 4946 +ATOM N N . THR C0 3 216 . 216 THR C0 N 92.58 -13.503516 26.34673 -34.64852 1 4947 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 91.8 -13.333954 27.449211 -33.708282 1 4948 +ATOM C C . THR C0 3 216 . 216 THR C0 C 91.8 -13.368441 26.997501 -32.238087 1 4949 +ATOM O O . THR C0 3 216 . 216 THR C0 O 90.62 -13.793486 25.892895 -31.91908 1 4950 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 90.62 -14.41807 28.524513 -33.91948 1 4951 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 88.28 -15.663631 28.031384 -33.416786 1 4952 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 87.11 -14.575116 28.869408 -35.39794 1 4953 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 89.84 -12.907734 27.910873 -31.363499 1 4954 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 88.67 -12.929752 27.648046 -29.931614 1 4955 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 89.45 -14.351582 27.60735 -29.385098 1 4956 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 87.5 -14.577008 27.0724 -28.299164 1 4957 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 86.33 -12.108091 28.706852 -29.181896 1 4958 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 80.86 -10.6123295 28.593021 -29.410652 1 4959 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 75.39 -9.84573 29.534204 -28.488369 1 4960 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 71.09 -8.346104 29.329737 -28.626682 1 4961 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 66.02 -7.5906677 30.166437 -27.66704 1 4962 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 91.41 -15.3000555 28.163422 -30.125946 1 4963 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 90.62 -16.706612 28.135963 -29.737183 1 4964 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 91.02 -17.383041 26.856682 -30.22039 1 4965 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 89.84 -18.594229 26.725204 -30.145796 1 4966 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 89.06 -17.450775 29.355377 -30.29043 1 4967 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 85.16 -17.010548 30.68679 -29.672295 1 4968 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 81.25 -15.654144 31.157444 -30.1569 1 4969 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 77.73 -14.954201 31.82341 -29.376957 1 4970 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 76.56 -15.279187 30.859648 -31.317362 1 4971 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 92.19 -16.582006 25.930809 -30.72014 1 4972 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 92.58 -17.034576 24.633148 -31.222052 1 4973 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 92.58 -18.008009 24.768057 -32.394245 1 4974 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 91.8 -18.998 24.050037 -32.489094 1 4975 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 91.41 -17.64649 23.804325 -30.09232 1 4976 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 90.62 -16.6189 23.448963 -29.052074 1 4977 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 87.5 -15.5842285 22.855095 -29.372675 1 4978 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 86.33 -16.877407 23.811293 -27.803787 1 4979 +ATOM N N . THR C0 3 220 . 220 THR C0 N 94.14 -17.695415 25.726776 -33.28192 1 4980 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 94.14 -18.406916 25.864117 -34.540897 1 4981 +ATOM C C . THR C0 3 220 . 220 THR C0 C 94.53 -17.418259 25.561436 -35.653038 1 4982 +ATOM O O . THR C0 3 220 . 220 THR C0 O 94.53 -16.19814 25.614162 -35.446777 1 4983 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 92.58 -18.97394 27.289864 -34.741753 1 4984 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 89.45 -17.905252 28.230759 -34.71629 1 4985 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 88.28 -19.993303 27.636892 -33.670635 1 4986 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 94.92 -17.942192 25.20818 -36.827633 1 4987 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 95.31 -17.097328 24.930988 -37.978123 1 4988 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 94.92 -17.523249 25.86827 -39.103256 1 4989 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 94.53 -18.715378 25.996305 -39.38614 1 4990 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 94.92 -17.223019 23.468775 -38.449318 1 4991 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 93.75 -16.967598 22.508043 -37.289825 1 4992 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 93.36 -16.263792 23.182735 -39.60707 1 4993 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 91.02 -17.28712 21.051424 -37.611755 1 4994 +ATOM N N . THR C0 3 222 . 222 THR C0 N 95.31 -16.540194 26.521233 -39.73528 1 4995 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 95.31 -16.834393 27.37864 -40.870193 1 4996 +ATOM C C . THR C0 3 222 . 222 THR C0 C 95.31 -16.094795 26.862469 -42.097668 1 4997 +ATOM O O . THR C0 3 222 . 222 THR C0 O 95.31 -15.053331 26.20042 -41.976166 1 4998 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 94.92 -16.431345 28.845894 -40.621193 1 4999 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 91.8 -15.019461 28.929628 -40.47617 1 5000 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 91.02 -17.110489 29.406223 -39.38548 1 5001 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 95.31 -16.643639 27.157248 -43.265083 1 5002 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 95.31 -15.996071 26.754662 -44.51249 1 5003 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 95.31 -15.863308 27.996422 -45.394558 1 5004 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 94.92 -16.765495 28.84056 -45.44337 1 5005 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 95.31 -16.797188 25.648872 -45.24272 1 5006 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 91.41 -16.047585 25.192225 -46.505104 1 5007 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 90.23 -18.199425 26.107784 -45.600044 1 5008 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 94.92 -14.724409 28.126999 -46.0627 1 5009 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 94.92 -14.479465 29.237518 -46.97947 1 5010 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 94.92 -13.752106 28.707054 -48.19989 1 5011 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 94.53 -12.85519 27.86435 -48.078285 1 5012 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 94.14 -13.670103 30.338926 -46.2953 1 5013 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 92.19 -13.572216 31.613583 -47.12486 1 5014 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 91.02 -12.9888115 32.78404 -46.356857 1 5015 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 87.5 -12.45262 32.615623 -45.27015 1 5016 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 86.33 -13.10249 33.989826 -46.919636 1 5017 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 94.53 -14.141903 29.215399 -49.396713 1 5018 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 94.14 -13.579517 28.74507 -50.659176 1 5019 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 94.53 -12.335087 29.524853 -51.05323 1 5020 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 93.36 -12.2030945 30.702038 -50.727318 1 5021 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 92.58 -14.606996 28.877892 -51.795788 1 5022 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 87.89 -15.972228 28.293114 -51.48477 1 5023 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 84.38 -15.932642 26.796495 -51.3014 1 5024 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 80.08 -15.293708 26.082607 -52.07572 1 5025 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 78.12 -16.604427 26.313118 -50.267326 1 5026 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 94.53 -11.439508 28.828466 -51.770073 1 5027 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 94.14 -10.29468 29.487997 -52.37851 1 5028 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 93.75 -10.659235 29.88977 -53.80705 1 5029 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 92.58 -11.622729 29.36659 -54.390316 1 5030 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 94.14 -9.071881 28.569834 -52.420532 1 5031 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 93.75 -8.287985 28.531372 -51.132805 1 5032 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 91.8 -8.668232 27.697693 -50.099876 1 5033 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 90.62 -7.1635814 29.326872 -50.961525 1 5034 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 90.23 -7.9481716 27.662922 -48.917664 1 5035 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 90.62 -6.4459 29.292053 -49.777725 1 5036 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 92.58 -6.841896 28.455074 -48.76361 1 5037 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 92.97 -6.1258287 28.42468 -47.60684 1 5038 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 93.75 -9.904199 30.83709 -54.399128 1 5039 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 93.36 -10.146566 31.230303 -55.783836 1 5040 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 92.97 -9.757261 30.08865 -56.712425 1 5041 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 92.19 -9.218351 29.065413 -56.262924 1 5042 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 92.58 -9.410623 32.526527 -56.14515 1 5043 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 90.62 -7.902798 32.456192 -55.963882 1 5044 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 88.67 -7.377753 31.381641 -55.588577 1 5045 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 87.11 -7.2273808 33.484264 -56.212868 1 5046 +ATOM N N . SER C0 3 228 . 228 SER C0 N 92.19 -10.032953 30.225708 -58.0007 1 5047 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 91.41 -9.845126 29.14787 -58.971924 1 5048 +ATOM C C . SER C0 3 228 . 228 SER C0 C 91.8 -8.40601 28.655495 -59.065044 1 5049 +ATOM O O . SER C0 3 228 . 228 SER C0 O 90.62 -8.199571 27.487013 -59.404205 1 5050 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 90.23 -10.3251915 29.604992 -60.35974 1 5051 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 85.55 -9.596737 30.732182 -60.813416 1 5052 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 92.19 -7.4143233 29.505157 -58.776306 1 5053 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 91.8 -6.0332494 29.051506 -58.827927 1 5054 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 92.19 -5.535831 28.566929 -57.4564 1 5055 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 91.41 -4.3772163 28.181099 -57.31823 1 5056 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 91.02 -5.10684 30.136423 -59.396362 1 5057 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 88.28 -5.14646 31.428406 -58.61722 1 5058 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 84.77 -5.394357 31.439262 -57.414387 1 5059 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 83.2 -4.881525 32.539932 -59.303436 1 5060 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 92.58 -6.406326 28.581886 -56.435097 1 5061 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 92.97 -6.104381 28.070248 -55.111504 1 5062 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 92.58 -5.0887747 28.865799 -54.308838 1 5063 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 91.8 -4.455102 28.312504 -53.40419 1 5064 +ATOM N N . THR C0 3 231 . 231 THR C0 N 92.97 -4.945732 30.158356 -54.57663 1 5065 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 92.58 -3.9412918 30.962643 -53.896603 1 5066 +ATOM C C . THR C0 3 231 . 231 THR C0 C 93.36 -4.5218053 31.918835 -52.846554 1 5067 +ATOM O O . THR C0 3 231 . 231 THR C0 O 92.19 -3.820372 32.285774 -51.901314 1 5068 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 91.41 -3.1126137 31.786243 -54.90741 1 5069 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 88.28 -3.9748898 32.64953 -55.64811 1 5070 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 86.72 -2.3735752 30.875399 -55.876404 1 5071 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 92.97 -5.775584 32.35083 -53.00605 1 5072 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 92.58 -6.3802533 33.281494 -52.06485 1 5073 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 92.97 -7.7958875 32.85337 -51.693268 1 5074 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 92.19 -8.541012 32.342686 -52.541756 1 5075 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 91.41 -6.4210906 34.712532 -52.645683 1 5076 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 87.11 -5.053294 35.340256 -52.85939 1 5077 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 83.98 -5.1612253 36.825386 -53.21516 1 5078 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 79.3 -5.927566 37.072983 -54.506256 1 5079 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 75.0 -5.9477396 38.508675 -54.850914 1 5080 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 93.75 -8.14458 33.0878 -50.43397 1 5081 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 93.75 -9.508972 32.817898 -49.991676 1 5082 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 93.36 -10.418882 33.886898 -50.58658 1 5083 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 92.19 -10.032369 35.060303 -50.67971 1 5084 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 92.97 -9.597072 32.85962 -48.463615 1 5085 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 92.19 -8.938856 31.68053 -47.73963 1 5086 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 89.84 -8.714687 32.02525 -46.27848 1 5087 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 88.67 -9.81025 30.441357 -47.872738 1 5088 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 92.58 -11.61804 33.494614 -51.00325 1 5089 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 91.8 -12.55829 34.456825 -51.561134 1 5090 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 91.8 -13.91308 34.328472 -50.881424 1 5091 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 90.23 -14.2020035 33.32621 -50.218025 1 5092 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 90.23 -12.706133 34.271057 -53.074932 1 5093 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 86.33 -13.318643 32.9447 -53.4881 1 5094 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 83.2 -13.436317 32.801277 -54.991158 1 5095 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 79.69 -12.881689 33.632545 -55.737488 1 5096 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 78.52 -14.096215 31.839294 -55.44868 1 5097 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 91.8 -14.701389 35.361282 -51.029312 1 5098 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 91.02 -16.01221 35.359497 -50.40567 1 5099 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 91.8 -15.919015 35.487156 -48.900486 1 5100 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 90.23 -14.964788 36.06109 -48.371193 1 5101 +ATOM N N . SER C0 3 236 . 236 SER C0 N 91.8 -16.902187 34.933067 -48.203926 1 5102 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 91.8 -16.926664 34.983788 -46.74819 1 5103 +ATOM C C . SER C0 3 236 . 236 SER C0 C 92.58 -16.99859 33.584694 -46.162872 1 5104 +ATOM O O . SER C0 3 236 . 236 SER C0 O 91.41 -17.427204 32.638783 -46.82952 1 5105 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 90.23 -18.12764 35.817005 -46.272137 1 5106 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 85.55 -19.343605 35.226208 -46.7091 1 5107 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 93.75 -16.543026 33.44246 -44.929436 1 5108 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 94.14 -16.625072 32.169186 -44.23226 1 5109 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 94.14 -18.088673 31.91432 -43.88536 1 5110 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 93.36 -18.7836 32.808754 -43.40055 1 5111 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 93.36 -15.766598 32.20077 -42.97804 1 5112 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 94.53 -18.555248 30.683912 -44.135464 1 5113 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 94.14 -19.935936 30.314434 -43.864445 1 5114 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 94.53 -19.957294 29.270311 -42.74698 1 5115 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 94.14 -19.24152 28.268932 -42.814896 1 5116 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 92.97 -20.617126 29.752068 -45.127087 1 5117 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 89.06 -22.043606 29.323296 -44.82135 1 5118 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 88.28 -20.594677 30.788322 -46.253464 1 5119 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 94.53 -20.759094 29.531366 -41.72222 1 5120 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 94.14 -20.846157 28.594555 -40.60923 1 5121 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 94.53 -21.648113 27.361282 -41.01126 1 5122 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 94.14 -22.72902 27.46801 -41.589462 1 5123 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 93.36 -21.495043 29.273647 -39.393158 1 5124 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 90.23 -21.550976 28.349304 -38.18359 1 5125 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 87.89 -22.03823 29.021673 -36.922047 1 5126 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 84.38 -21.707626 30.217361 -36.728043 1 5127 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 83.59 -22.740088 28.383286 -36.118645 1 5128 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 94.53 -21.105606 26.203812 -40.69896 1 5129 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 94.53 -21.779266 24.937265 -40.983864 1 5130 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 94.14 -22.801207 24.683096 -39.877182 1 5131 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 93.36 -22.463089 24.71674 -38.6922 1 5132 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 94.14 -20.757755 23.788229 -41.081245 1 5133 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 92.58 -19.952618 23.952301 -42.376587 1 5134 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 91.8 -21.448254 22.43161 -41.02617 1 5135 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 90.62 -18.802969 22.981853 -42.530556 1 5136 +ATOM N N . THR C0 3 241 . 241 THR C0 N 94.53 -24.04544 24.43925 -40.244274 1 5137 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 94.14 -25.104317 24.22275 -39.27332 1 5138 +ATOM C C . THR C0 3 241 . 241 THR C0 C 94.14 -25.767452 22.857166 -39.406883 1 5139 +ATOM O O . THR C0 3 241 . 241 THR C0 O 93.36 -26.636288 22.522364 -38.60436 1 5140 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 92.97 -26.189604 25.314346 -39.38407 1 5141 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 89.84 -26.75107 25.280834 -40.697327 1 5142 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 88.67 -25.60194 26.702042 -39.12612 1 5143 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 94.14 -25.397888 22.096554 -40.434814 1 5144 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 94.14 -25.940985 20.76503 -40.66285 1 5145 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 94.53 -24.827585 19.813374 -41.07263 1 5146 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 93.75 -23.852425 20.229498 -41.70618 1 5147 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 93.36 -27.02105 20.78687 -41.764492 1 5148 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 89.84 -28.249994 21.601358 -41.4185 1 5149 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 87.11 -29.283527 21.546309 -42.542717 1 5150 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 82.81 -28.810394 22.278751 -43.789467 1 5151 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 78.91 -29.841705 22.298538 -44.841347 1 5152 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 94.92 -24.986322 18.530949 -40.725285 1 5153 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 94.53 -23.980297 17.524372 -41.079224 1 5154 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 94.53 -23.806131 17.437725 -42.595093 1 5155 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 94.14 -22.697098 17.231407 -43.08544 1 5156 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 94.14 -24.386642 16.153877 -40.522667 1 5157 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 92.58 -23.411842 15.001345 -40.77987 1 5158 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 90.62 -23.986256 13.697857 -40.229362 1 5159 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 89.84 -22.058578 15.3014765 -40.164146 1 5160 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 94.53 -24.908524 17.595383 -43.34066 1 5161 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 94.53 -24.847382 17.534025 -44.797745 1 5162 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 94.53 -23.914722 18.59822 -45.36703 1 5163 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 94.14 -23.308489 18.38632 -46.415962 1 5164 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 93.75 -26.25042 17.712742 -45.402912 1 5165 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 89.45 -27.122795 16.48364 -45.252663 1 5166 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 86.33 -26.57849 15.379387 -45.03588 1 5167 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 84.77 -28.356466 16.622707 -45.355965 1 5168 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 94.53 -23.798038 19.750431 -44.68653 1 5169 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 94.14 -22.92025 20.8143 -45.15081 1 5170 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 94.53 -21.446507 20.440289 -44.989906 1 5171 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 94.14 -20.604769 20.879438 -45.77118 1 5172 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 93.75 -23.231537 22.123327 -44.409153 1 5173 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 91.8 -24.628769 22.635328 -44.732224 1 5174 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 90.23 -25.043137 23.825762 -43.898056 1 5175 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 88.28 -26.152866 24.349104 -44.126938 1 5176 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 87.89 -24.278133 24.240053 -43.001255 1 5177 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 94.53 -21.114178 19.634268 -43.956287 1 5178 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 94.53 -19.7435 19.142887 -43.818314 1 5179 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 94.92 -19.46326 18.161678 -44.949806 1 5180 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 94.14 -18.40659 18.210869 -45.57872 1 5181 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 93.75 -19.511263 18.452648 -42.45913 1 5182 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 91.8 -19.836487 19.408531 -41.30733 1 5183 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 91.02 -18.064102 17.962576 -42.36461 1 5184 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 87.89 -19.631577 18.786276 -39.924232 1 5185 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 94.53 -20.440205 17.280558 -45.216797 1 5186 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 94.53 -20.283365 16.308952 -46.297672 1 5187 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 94.14 -20.098171 17.022505 -47.63452 1 5188 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 93.36 -19.26061 16.614462 -48.451233 1 5189 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 94.14 -21.492788 15.371233 -46.35897 1 5190 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 92.97 -21.59741 14.431265 -45.168694 1 5191 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 92.19 -22.795105 13.496629 -45.33121 1 5192 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 89.45 -22.873856 12.526598 -44.164528 1 5193 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 86.72 -24.024796 11.603594 -44.292915 1 5194 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 94.14 -20.863983 18.109135 -47.859352 1 5195 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 93.75 -20.732174 18.884005 -49.09363 1 5196 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 93.75 -19.34087 19.489746 -49.215233 1 5197 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 92.58 -18.783966 19.564552 -50.306927 1 5198 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 92.97 -21.78661 19.997013 -49.135788 1 5199 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 89.06 -23.186312 19.45971 -49.37285 1 5200 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 85.55 -23.356737 18.34304 -49.856045 1 5201 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 84.38 -24.196632 20.253073 -49.03263 1 5202 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 93.75 -18.75438 19.919168 -48.103348 1 5203 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 93.36 -17.425964 20.513205 -48.111443 1 5204 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 92.97 -16.35732 19.481617 -48.431435 1 5205 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 92.19 -15.259195 19.850227 -48.85939 1 5206 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 92.58 -17.13655 21.163845 -46.76745 1 5207 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 93.75 -16.657917 18.207088 -48.237072 1 5208 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 93.36 -15.70331 17.13459 -48.487885 1 5209 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 92.58 -15.786911 16.60023 -49.920486 1 5210 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 91.02 -14.913637 15.837274 -50.339737 1 5211 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 93.75 -15.917448 15.982344 -47.506245 1 5212 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 92.97 -15.761992 16.333084 -46.033295 1 5213 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 90.23 -16.064074 15.108461 -45.18983 1 5214 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 88.67 -14.373534 16.871128 -45.738228 1 5215 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 91.41 -16.814499 16.999704 -50.6784 1 5216 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 90.23 -16.972971 16.542461 -52.053528 1 5217 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 88.67 -15.899429 17.119453 -52.961266 1 5218 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 86.72 -15.415567 18.228971 -52.72975 1 5219 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 87.11 -18.349232 16.930843 -52.600235 1 5220 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 83.98 -19.484756 16.162334 -51.951897 1 5221 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 81.25 -20.82286 16.610277 -52.551052 1 5222 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 77.73 -21.968693 15.855004 -51.895164 1 5223 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 75.78 -23.255684 16.300047 -52.393578 1 5224 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 76.95 -15.460415 16.43488 -53.89929 1 5225 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 76.17 4.9438105 -5.7745028 -6.6888943 1 5226 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 75.78 5.772835 -6.8294067 -6.73732 1 5227 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 77.73 3.74954 -5.9559174 -7.5363636 1 5228 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 74.61 2.9913201 -4.839919 -7.5807147 1 5229 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 69.92 4.3231173 -9.235008 9.515007 1 5230 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 69.14 4.8191977 -8.057067 9.967853 1 5231 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 70.7 2.844023 -9.210005 9.411701 1 5232 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 67.19 2.3500218 -10.4200325 9.0501795 1 5233 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 63.67 -10.458294 -22.101345 -12.619421 1 5234 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 63.28 -11.049748 -22.3512 -13.794951 1 5235 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 65.62 -9.078514 -22.618053 -12.564955 1 5236 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 62.11 -8.480443 -22.301743 -11.376391 1 5237 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 61.72 20.017288 -32.003517 23.445366 1 5238 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 60.55 21.329641 -32.010803 23.21334 1 5239 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 63.67 19.246037 -32.50783 22.2882 1 5240 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 59.38 17.923878 -32.257256 22.436073 1 5241 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 58.2 38.366203 -22.197952 9.303857 1 5242 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 57.81 39.3098 -22.48901 8.413812 1 5243 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 60.55 38.39003 -20.787403 9.725546 1 5244 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 55.86 37.391262 -20.522942 10.6075325 1 5245 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 60.55 17.05325 4.5890417 13.518817 1 5246 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 60.16 17.092459 4.4728703 14.864164 1 5247 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 62.11 16.073265 5.6185455 13.079463 1 5248 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 57.03 15.962131 5.6555557 11.728948 1 5249 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 80.47 3.062136 -3.5126138 -4.8281374 1 5250 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 69.14 12.84127 -10.961626 23.119587 1 5251 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 65.23 -4.867955 -7.508491 -18.533144 1 5252 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 65.23 -7.195035 10.743688 18.444397 1 5253 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 56.25 20.342682 -17.036755 16.9477 1 5254 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 63.28 11.835754 -25.687824 36.089813 1 5255 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 61.72 29.50755 -27.918854 27.832613 1 5256 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_3_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_3_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..592eeea6c9053cd6c9df6d94fb57f39a0688a43d --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_3_postprocessed.cif @@ -0,0 +1,6691 @@ +data_8tuz-assembly1_seed_42_sample_3_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 0 -20.316956 -6.1187534 9.388826 1 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 0 -19.65165 -7.3408756 9.814018 1 2 1 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 0 -18.985703 -8.038983 8.636751 1 3 1 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 0 -19.135183 -9.253262 8.428758 1 4 1 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 0 -20.66019 -8.282408 10.500811 1 5 1 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 0 -20.005966 -9.411762 11.275026 1 6 1 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 0 -21.041008 -10.305165 11.95467 1 7 1 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 0 -22.191357 -9.848716 12.156632 1 8 1 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 0 -20.70273 -11.455289 12.290114 1 9 1 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 0 -18.26306 -7.26574 7.825939 1 10 1 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 0 -17.512686 -7.8317556 6.709745 1 11 1 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 0 -16.35011 -8.661746 7.2538433 1 12 1 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 0 -15.625942 -8.209503 8.148283 1 13 1 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 0 -16.974499 -6.72312 5.7822647 1 14 1 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 0 -16.0692 -7.311515 4.705509 1 15 1 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 0 -18.129412 -5.9495106 5.1625957 1 16 1 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 0 -16.176031 -9.875067 6.739157 1 17 1 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 0 -15.083178 -10.741556 7.1588306 1 18 1 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 0 -14.464357 -11.455573 5.9627876 1 19 1 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 0 -15.176 -11.846973 5.030435 1 20 1 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 0 -15.564979 -11.797495 8.160282 1 21 1 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 0 -15.902295 -11.261306 9.528603 1 22 1 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 0 -16.202381 -12.382757 10.506176 1 23 1 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 0 -17.282679 -12.962368 10.48136 1 24 1 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 0 -15.233806 -12.71649 11.343319 1 25 1 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 0 -13.152475 -11.611756 5.9973135 1 26 1 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 0 -12.414102 -12.410058 5.0325356 1 27 1 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 0 -11.598324 -13.408059 5.8408704 1 28 1 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 0 -10.711443 -13.011152 6.6015425 1 29 1 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 0 -11.495084 -11.534334 4.1685877 1 30 1 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 0 -12.17721 -10.558404 3.2074583 1 31 1 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 0 -11.144142 -9.623663 2.5811856 1 32 1 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 0 -12.935721 -11.310408 2.128684 1 33 1 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 0 -11.917404 -14.698895 5.720158 1 34 1 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 0 -11.255959 -15.746894 6.499003 1 35 1 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 0 -10.433701 -16.62819 5.5632887 1 36 1 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 0 -10.97547 -17.234604 4.63233 1 37 1 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 0 -12.27746 -16.599094 7.27687 1 38 1 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 0 -11.565177 -17.695778 8.057697 1 39 1 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 0 -13.099216 -15.712089 8.215359 1 40 1 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 0 -9.127544 -16.691124 5.8209095 1 41 1 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 0 -8.223244 -17.451504 4.972081 1 42 1 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 0 -7.9604573 -18.851116 5.519292 1 43 1 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 0 -8.189313 -19.121254 6.6961875 1 44 1 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 0 -6.9006634 -16.698097 4.7971954 1 45 1 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 0 -7.0712442 -15.351612 4.1179132 1 46 1 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 0 -5.778126 -14.592781 3.9172077 1 47 1 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 0 -5.6754074 -13.417376 4.24975 1 48 1 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 0 -4.76822 -15.260688 3.3714101 1 49 1 +ATOM N N . SER A0 1 7 . 7 SER A0 N 0 -7.4761534 -19.73778 4.6336737 1 50 1 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 0 -7.1553655 -21.10595 5.017866 1 51 1 +ATOM C C . SER A0 1 7 . 7 SER A0 C 0 -5.905184 -21.131573 5.8957067 1 52 1 +ATOM O O . SER A0 1 7 . 7 SER A0 O 0 -5.1940036 -20.13556 6.0268583 1 53 1 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 0 -6.950568 -21.971743 3.7694108 1 54 1 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 0 -6.014474 -21.385426 2.8867743 1 55 1 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 0 -5.63384 -22.285957 6.513618 1 56 1 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 0 -4.5493913 -22.426092 7.4654765 1 57 1 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 0 -3.1608715 -22.496315 6.8617196 1 58 1 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 0 -2.9840207 -22.563383 5.643588 1 59 1 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 0 -2.1689155 -22.490284 7.7565694 1 60 1 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 0 -0.76148987 -22.548588 7.387181 1 61 1 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 0 -0.45281106 -23.777676 6.5401945 1 62 1 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 0 -1.0041057 -24.856083 6.7633147 1 63 1 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 0 0.09470835 -22.565449 8.657658 1 64 1 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 0 1.5864371 -22.609316 8.415138 1 65 1 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 0 2.389247 -22.695454 9.708319 1 66 1 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 0 3.4194474 -22.005632 9.818726 1 67 1 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 0 1.9672879 -23.44667 10.614817 1 68 1 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 0 0.441033 -23.598364 5.5376186 1 69 1 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 0 0.8218918 -24.686472 4.648596 1 70 1 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 0 2.3315802 -24.889355 4.6639466 1 71 1 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 0 3.0868726 -23.911694 4.615753 1 72 1 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 0 0.37205487 -24.400372 3.2076607 1 73 1 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 0 -1.1394806 -24.26242 3.0219958 1 74 1 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 0 -1.8547676 -25.590118 2.911687 1 75 1 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 0 -3.095859 -25.57265 2.802826 1 76 1 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 0 -1.1913404 -26.650513 2.9296114 1 77 1 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 0 2.773417 -26.144135 4.743679 1 78 1 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 0 4.1820292 -26.518576 4.6544933 1 79 1 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 0 4.300885 -27.508663 3.5022142 1 80 1 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 0 3.790289 -28.630198 3.5879748 1 81 1 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 0 4.7035723 -27.13971 5.9664955 1 82 1 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 0 6.1885405 -27.48258 5.8313265 1 83 1 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 0 4.484166 -26.171202 7.1343555 1 84 1 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 0 4.958887 -27.093538 2.425204 1 85 1 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 0 5.046583 -27.896063 1.2056457 1 86 1 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 0 6.4830985 -28.02032 0.71280324 1 87 1 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 0 7.378807 -27.283463 1.1488528 1 88 1 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 0 4.1869497 -27.276543 0.09705919 1 89 1 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 0 2.6924522 -27.311451 0.3566321 1 90 1 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 0 2.1541378 -28.714144 0.119196944 1 91 1 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 0 0.6337839 -28.737612 0.2475086 1 92 1 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 0 0.10844378 -30.061203 -0.08633715 1 93 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 6.709944 -28.96437 -0.21341792 1 94 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 8.011965 -29.172298 -0.82715404 1 95 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 8.040448 -28.53171 -2.2100878 1 96 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 6.994223 -28.39357 -2.8543441 1 97 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 8.323363 -30.666489 -0.9438796 1 98 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 8.466701 -31.374222 0.39129588 1 99 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 8.854185 -32.834297 0.20101225 1 100 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 9.056566 -33.51647 1.541851 1 101 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 9.460987 -34.924583 1.3778548 1 102 1 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 0 9.2466755 -28.126648 -2.6922278 1 103 1 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 0 9.3386 -27.543846 -4.0329294 1 104 1 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 0 8.793683 -28.511635 -5.083058 1 105 1 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 0 8.978501 -29.726646 -4.9795837 1 106 1 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 0 10.84203 -27.312355 -4.219103 1 107 1 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 0 11.374027 -27.165342 -2.8279672 1 108 1 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 0 10.553336 -28.133972 -2.0155964 1 109 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 8.110865 -27.95846 -6.0838003 1 110 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 7.5384874 -28.76754 -7.141428 1 111 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 6.112419 -29.206514 -6.894581 1 112 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 5.4256916 -29.625406 -7.831059 1 113 1 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 0 5.6604857 -29.103085 -5.6364985 1 114 1 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 0 4.2909207 -29.491476 -5.3166003 1 115 1 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 0 3.3210454 -28.36926 -5.6627517 1 116 1 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 0 3.7139995 -27.202915 -5.781456 1 117 1 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 0 4.163369 -29.853823 -3.8358705 1 118 1 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 0 4.9481716 -31.099491 -3.452776 1 119 1 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 0 4.7011185 -31.529652 -2.0256352 1 120 1 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 0 4.8526464 -32.728737 -1.7357304 1 121 1 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 0 4.3494215 -30.67537 -1.1876578 1 122 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 2.0682292 -28.711966 -5.831672 1 123 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 1.0310479 -27.727283 -6.0978985 1 124 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 0.37395018 -27.305618 -4.785516 1 125 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 0.43233013 -28.025242 -3.785992 1 126 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 -0.023904279 -28.29071 -7.052785 1 127 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 -0.7122928 -29.38084 -6.4599233 1 128 1 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 0 -0.219818 -26.109835 -4.798007 1 129 1 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 0 -0.87720364 -25.592989 -3.6069407 1 130 1 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 0 -1.9902135 -24.637808 -4.003155 1 131 1 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 0 -1.8451226 -23.871002 -4.9606314 1 132 1 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 0 0.13221598 -24.875729 -2.6916509 1 133 1 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 0 -0.44672662 -24.198887 -1.442836 1 134 1 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 0 0.6265086 -23.384937 -0.7303885 1 135 1 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 0 -1.0602541 -25.232971 -0.5030601 1 136 1 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 0 -3.0820127 -24.693842 -3.2709446 1 137 1 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 0 -4.2118244 -23.800209 -3.4853737 1 138 1 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 0 -4.7062654 -23.324928 -2.1262133 1 139 1 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 0 -5.1834583 -24.121407 -1.318767 1 140 1 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 0 -5.3336296 -24.52499 -4.2357383 1 141 1 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 0 -6.4572086 -23.62246 -4.7282104 1 142 1 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 0 -7.410906 -24.41843 -5.6191998 1 143 1 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 0 -8.455713 -23.52266 -6.267254 1 144 1 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 0 -9.316286 -24.294699 -7.194275 1 145 1 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 0 -4.5561266 -22.019543 -1.8541005 1 146 1 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 0 -5.021651 -21.463058 -0.59129566 1 147 1 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 0 -6.28629 -20.65809 -0.8575272 1 148 1 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 0 -6.5282555 -20.200031 -1.9787611 1 149 1 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 0 -3.947237 -20.599155 0.109865695 1 150 1 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 0 -3.5373735 -19.41534 -0.75587773 1 151 1 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 0 -2.7177734 -21.464045 0.43365812 1 152 1 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 0 -2.5376668 -18.46809 -0.080015026 1 153 1 +ATOM N N . SER A0 1 21 . 21 SER A0 N 0 -7.114127 -20.495008 0.18723278 1 154 1 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 0 -8.43046 -19.901348 0.009061845 1 155 1 +ATOM C C . SER A0 1 21 . 21 SER A0 C 0 -8.698441 -18.688934 0.8955319 1 156 1 +ATOM O O . SER A0 1 21 . 21 SER A0 O 0 -8.006226 -18.454502 1.8877106 1 157 1 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 0 -9.521846 -20.95337 0.25138006 1 158 1 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 0 -9.518245 -21.381058 1.6017992 1 159 1 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 0 -9.707343 -17.93115 0.5077826 1 160 1 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 0 -10.168444 -16.74202 1.2157972 1 161 1 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 0 -11.68409 -16.683376 1.0705041 1 162 1 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 0 -12.195015 -16.516006 -0.04006409 1 163 1 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 0 -9.516977 -15.494307 0.625994 1 164 1 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 0 -10.152027 -13.9293785 1.2307549 1 165 1 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 0 -12.404632 -16.863173 2.1735728 1 166 1 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 0 -13.866978 -16.875053 2.1596694 1 167 1 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 0 -14.412076 -15.55304 2.6881428 1 168 1 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 0 -14.044884 -15.114902 3.7824793 1 169 1 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 0 -14.40818 -18.034399 2.9990923 1 170 1 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 0 -15.919327 -18.137234 3.0105247 1 171 1 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 0 -16.396843 -19.343761 3.7884803 1 172 1 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 0 -17.914614 -19.395786 3.8782759 1 173 1 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 0 -18.53326 -19.62221 2.5491705 1 174 1 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 0 -15.293878 -14.918078 1.9081815 1 175 1 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 0 -15.886022 -13.650209 2.3047986 1 176 1 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 0 -17.287853 -13.817038 2.859999 1 177 1 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 0 -18.024616 -14.714292 2.4542131 1 178 1 +ATOM N N . SER A0 1 25 . 25 SER A0 N 0 -17.6657 -12.957203 3.798452 1 179 1 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 0 -19.003124 -12.966476 4.366254 1 180 1 +ATOM C C . SER A0 1 25 . 25 SER A0 C 0 -19.359549 -11.564935 4.8535476 1 181 1 +ATOM O O . SER A0 1 25 . 25 SER A0 O 0 -18.480705 -10.723129 5.0517216 1 182 1 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 0 -19.104616 -13.973948 5.523863 1 183 1 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 0 -18.242859 -13.626663 6.59 1 184 1 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 0 -20.676521 -11.306074 5.0394955 1 185 1 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 0 -21.131445 -10.037394 5.5619917 1 186 1 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 0 -21.322248 -8.94593 4.5176415 1 187 1 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 0 -21.565292 -7.7948384 4.8820796 1 188 1 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 0 -21.2224 -9.297207 3.2201471 1 189 1 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 0 -21.417147 -8.340299 2.1336823 1 190 1 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 0 -21.736313 -9.1100025 0.8604293 1 191 1 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 0 -21.61335 -10.342832 0.8292805 1 192 1 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 0 -20.173653 -7.4582214 1.9475136 1 193 1 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 0 -18.975828 -8.195352 1.3974319 1 194 1 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 0 -18.17328 -8.975109 2.2236066 1 195 1 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 0 -18.654133 -8.116591 0.049028542 1 196 1 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 0 -17.0768 -9.661506 1.7193077 1 197 1 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 0 -17.562368 -8.792759 -0.4669283 1 198 1 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 0 -16.777359 -9.5655365 0.37380376 1 199 1 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 0 -15.6893215 -10.239029 -0.13789937 1 200 1 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 0 -22.158749 -8.413635 -0.20496915 1 201 1 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 0 -22.452965 -9.059172 -1.4762428 1 202 1 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 0 -21.14436 -9.429312 -2.1623192 1 203 1 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 0 -20.509026 -8.592166 -2.8212361 1 204 1 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 0 -23.299904 -8.137669 -2.363532 1 205 1 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 0 -23.826637 -8.8228 -3.6096585 1 206 1 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 0 -24.733852 -7.889749 -4.4077253 1 207 1 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 0 -25.244648 -8.571747 -5.666071 1 208 1 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 0 -26.109116 -7.6770935 -6.44893 1 209 1 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 0 -20.719173 -10.677887 -2.0004475 1 210 1 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 0 -19.419586 -11.190344 -2.43004 1 211 1 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 0 -19.08722 -10.908029 -3.8988414 1 212 1 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 0 -17.95559 -10.546569 -4.226472 1 213 1 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 0 -19.366488 -12.697136 -2.1575246 1 214 1 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 0 -18.072788 -13.354141 -2.5714903 1 215 1 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 0 -18.021875 -14.14764 -3.7119293 1 216 1 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 0 -16.925476 -13.208822 -1.8168299 1 217 1 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 0 -16.84853 -14.769604 -4.087312 1 218 1 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 0 -15.748627 -13.828213 -2.1908658 1 219 1 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 0 -15.706032 -14.615519 -3.3287196 1 220 1 +ATOM N N . SER A0 1 30 . 30 SER A0 N 0 -20.076591 -11.056187 -4.803173 1 221 1 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 0 -19.84377 -10.906376 -6.22987 1 222 1 +ATOM C C . SER A0 1 30 . 30 SER A0 C 0 -19.749075 -9.456619 -6.699376 1 223 1 +ATOM O O . SER A0 1 30 . 30 SER A0 O 0 -19.508278 -9.218309 -7.8884916 1 224 1 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 0 -20.933056 -11.63797 -7.026124 1 225 1 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 0 -22.206635 -11.090413 -6.7589993 1 226 1 +ATOM N N . SER A0 1 31 . 31 SER A0 N 0 -19.918377 -8.487642 -5.790166 1 227 1 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 0 -19.93713 -7.0770617 -6.1513486 1 228 1 +ATOM C C . SER A0 1 31 . 31 SER A0 C 0 -18.635883 -6.3270636 -5.868126 1 229 1 +ATOM O O . SER A0 1 31 . 31 SER A0 O 0 -18.563622 -5.1165295 -6.085269 1 230 1 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 0 -21.085003 -6.3611946 -5.4308724 1 231 1 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 0 -22.340408 -6.8971734 -5.811139 1 232 1 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 0 -17.60323 -7.0303946 -5.39114 1 233 1 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 0 -16.339073 -6.383087 -5.0621433 1 234 1 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 0 -15.152303 -7.1915016 -5.5695868 1 235 1 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 0 -15.179756 -8.422669 -5.552823 1 236 1 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 0 -16.187466 -6.204415 -3.5431252 1 237 1 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 0 -17.229042 -5.2998886 -2.9316578 1 238 1 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 0 -18.442833 -5.809171 -2.4819627 1 239 1 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 0 -17.003563 -3.9350116 -2.803082 1 240 1 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 0 -19.402012 -4.9811807 -1.9309965 1 241 1 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 0 -17.961477 -3.100908 -2.251906 1 242 1 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 0 -19.154083 -3.632154 -1.8174515 1 243 1 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 0 -20.097412 -2.8184516 -1.2720494 1 244 1 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 0 -14.101988 -6.4994836 -5.9900723 1 245 1 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 0 -12.845526 -7.1421957 -6.3383675 1 246 1 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 0 -12.209005 -7.691985 -5.063213 1 247 1 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 0 -12.36443 -7.1207805 -3.9733777 1 248 1 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 0 -11.869677 -6.1373625 -6.950969 1 249 1 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 0 -12.240211 -5.5634384 -8.274517 1 250 1 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 0 -12.942125 -4.4224215 -8.497884 1 251 1 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 0 -11.877152 -6.0689464 -9.555256 1 252 1 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 0 -13.042559 -4.189994 -9.8453045 1 253 1 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 0 -12.403152 -5.1888747 -10.521959 1 254 1 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 0 -11.1695 -7.1990266 -9.985581 1 255 1 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 0 -12.222475 -5.386045 -11.889891 1 256 1 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 0 -10.993821 -7.399896 -11.348704 1 257 1 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 0 -11.528563 -6.501402 -12.279453 1 258 1 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 0 -11.4817705 -8.812595 -5.176871 1 259 1 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 0 -10.684962 -9.354853 -4.0781612 1 260 1 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 0 -9.248027 -9.463766 -4.581564 1 261 1 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 0 -9.00087 -10.034758 -5.6458974 1 262 1 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 0 -11.176344 -10.738333 -3.62081 1 263 1 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 0 -12.6225195 -10.65275 -3.1051536 1 264 1 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 0 -10.242603 -11.291631 -2.5284047 1 265 1 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 0 -12.7983265 -9.833227 -1.8325076 1 266 1 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 0 -8.316721 -8.88772 -3.8230166 1 267 1 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 0 -6.9171987 -8.918612 -4.2209587 1 268 1 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 0 -6.090953 -9.813292 -3.3265655 1 269 1 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 0 -6.5045757 -10.167231 -2.2186723 1 270 1 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 0 -4.904855 -10.195747 -3.830863 1 271 1 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 0 -3.9402723 -10.979096 -3.0717227 1 272 1 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 0 -2.653461 -10.179594 -2.954112 1 273 1 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 0 -2.1882467 -9.573256 -3.929395 1 274 1 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 0 -3.6566014 -12.330784 -3.7531214 1 275 1 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 0 -4.7551074 -13.329578 -3.6132774 1 276 1 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 0 -5.7485485 -13.594931 -4.508535 1 277 1 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 0 -4.9756775 -14.203038 -2.5034683 1 278 1 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 0 -6.571539 -14.57711 -4.022951 1 279 1 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 0 -6.118548 -14.9689045 -2.7939782 1 280 1 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 0 -4.3096776 -14.410023 -1.2942224 1 281 1 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 0 -6.619051 -15.930637 -1.9174626 1 282 1 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 0 -4.8114905 -15.365455 -0.4232859 1 283 1 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 0 -5.948723 -16.112297 -0.74447197 1 284 1 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 0 -2.0931087 -10.195075 -1.7524147 1 285 1 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 0 -0.8755559 -9.453361 -1.4460227 1 286 1 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 0 0.13092569 -10.394896 -0.7987013 1 287 1 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 0 -0.21470091 -11.12071 0.14912072 1 288 1 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 0 -1.164998 -8.25758 -0.5082603 1 289 1 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 0 0.12708 -7.556592 -0.10394886 1 290 1 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 0 -2.1277144 -7.2784734 -1.1752708 1 291 1 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 0 1.388022 -10.39629 -1.2914118 1 292 1 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 0 2.4469843 -11.216581 -0.72617173 1 293 1 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 0 3.3299892 -10.37134 0.18274376 1 294 1 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 0 3.6158023 -9.211485 -0.112679005 1 295 1 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 0 3.3175979 -11.828438 -1.8363092 1 296 1 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 0 4.4591827 -12.709503 -1.3026211 1 297 1 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 0 5.2913265 -13.28165 -2.439406 1 298 1 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 0 6.2252617 -12.27893 -2.9826581 1 299 1 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 0 7.1199203 -12.548643 -3.9359274 1 300 1 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 0 7.2174125 -13.784431 -4.4435644 1 301 1 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 0 7.9125357 -11.576007 -4.375099 1 302 1 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 0 3.7624416 -10.973538 1.2939808 1 303 1 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 0 4.728674 -10.326057 2.1763926 1 304 1 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 0 5.775073 -11.353346 2.5863662 1 305 1 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 0 5.518883 -12.221392 3.415929 1 306 1 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 0 4.0533786 -9.724348 3.409443 1 307 1 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 0 5.0297966 -8.920512 4.262632 1 308 1 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 0 4.344983 -8.106436 5.329886 1 309 1 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 0 3.434618 -8.581268 6.005089 1 310 1 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 0 4.7771635 -6.8488026 5.4848213 1 311 1 +ATOM N N . MET A0 1 40 . 40 MET A0 N 0 6.9521613 -11.24806 1.9657295 1 312 1 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 0 8.043691 -12.164862 2.2878947 1 313 1 +ATOM C C . MET A0 1 40 . 40 MET A0 C 0 8.605752 -11.804096 3.6536176 1 314 1 +ATOM O O . MET A0 1 40 . 40 MET A0 O 0 8.454445 -10.669166 4.113472 1 315 1 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 0 9.12647 -12.095013 1.2143478 1 316 1 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 0 8.616193 -12.533213 -0.15347002 1 317 1 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 0 9.851473 -12.384131 -1.4659672 1 318 1 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 0 10.891514 -13.791234 -1.0852804 1 319 1 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 0 9.242126 -12.766373 4.3377256 1 320 1 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 0 9.739916 -12.499276 5.6962876 1 321 1 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 0 10.62902 -11.261585 5.765589 1 322 1 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 0 11.603959 -11.129444 5.0283036 1 323 1 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 0 10.531005 -13.769732 6.028825 1 324 1 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 0 9.838989 -14.844492 5.245077 1 325 1 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 0 9.469341 -14.172374 3.9412131 1 326 1 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 0 10.252874 -10.324608 6.6459236 1 327 1 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 0 11.004625 -9.101616 6.841488 1 328 1 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 0 10.900847 -8.079636 5.736331 1 329 1 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 0 11.646207 -7.0958366 5.741935 1 330 1 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 0 9.998257 -8.298441 4.77376 1 331 1 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 0 9.854812 -7.394582 3.631348 1 332 1 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 0 8.513737 -6.6677628 3.6518936 1 333 1 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 0 7.6584635 -6.9232655 4.5087104 1 334 1 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 0 10.011244 -8.168335 2.3217378 1 335 1 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 0 11.307619 -8.954678 2.208039 1 336 1 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 0 12.528604 -8.026251 2.1797614 1 337 1 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 0 13.814916 -8.819138 1.9969382 1 338 1 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 0 14.990208 -7.944948 1.9575582 1 339 1 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 0 8.323715 -5.766701 2.6853294 1 340 1 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 0 7.0947304 -5.001595 2.5846448 1 341 1 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 0 6.0120745 -5.729347 1.800508 1 342 1 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 0 6.0973167 -6.94094 1.5546947 1 343 1 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 0 4.985179 -4.980115 1.4061931 1 344 1 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 0 3.8329463 -5.542362 0.72350013 1 345 1 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 0 4.0137224 -5.535696 -0.79051757 1 346 1 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 0 4.486515 -4.554678 -1.3621515 1 347 1 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 0 2.5723615 -4.7511616 1.091588 1 348 1 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 0 2.2670484 -4.6394415 2.5916991 1 349 1 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 0 1.1470121 -3.6288435 2.8205287 1 350 1 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 0 1.8995539 -5.999174 3.1629908 1 351 1 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 0 3.6276524 -6.6487436 -1.4432113 1 352 1 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 0 3.7024229 -6.7831154 -2.8904376 1 353 1 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 0 2.3328905 -7.213414 -3.4059787 1 354 1 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 0 1.8519185 -8.298719 -3.0700946 1 355 1 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 0 4.7359324 -7.841337 -3.2939246 1 356 1 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 0 6.1548576 -7.579504 -2.8180337 1 357 1 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 0 7.060173 -8.758589 -3.1291208 1 358 1 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 0 7.135752 -9.693466 -2.3085608 1 359 1 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 0 7.681183 -8.749075 -4.214792 1 360 1 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 0 1.7243953 -6.372916 -4.2384233 1 361 1 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 0 0.4432583 -6.7159185 -4.8331017 1 362 1 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 0 0.6591921 -7.792712 -5.896373 1 363 1 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 0 1.5103759 -7.659008 -6.7611017 1 364 1 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 0 -0.1958577 -5.468613 -5.463175 1 365 1 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 0 -1.4677148 -5.77207 -6.180372 1 366 1 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 0 -2.676005 -6.0576496 -5.610181 1 367 1 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 0 -1.6792405 -5.8250337 -7.582511 1 368 1 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 0 -3.602236 -6.2803783 -6.585608 1 369 1 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 0 -3.021663 -6.1456656 -7.8090653 1 370 1 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 0 -0.8456087 -5.6264334 -8.696022 1 371 1 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 0 -3.5521815 -6.2714415 -9.085168 1 372 1 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 0 -1.3754892 -5.757776 -9.963667 1 373 1 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 0 -2.7150698 -6.076208 -10.146529 1 374 1 +ATOM N N . MET A0 1 48 . 48 MET A0 N 0 -0.109935105 -8.880093 -5.799348 1 375 1 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 0 0.029560821 -10.013679 -6.7083683 1 376 1 +ATOM C C . MET A0 1 48 . 48 MET A0 C 0 -0.97936696 -9.986448 -7.8458395 1 377 1 +ATOM O O . MET A0 1 48 . 48 MET A0 O 0 -0.62394094 -10.169134 -9.009083 1 378 1 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 0 -0.10524188 -11.33902 -5.946032 1 379 1 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 0 0.9121691 -11.518139 -4.8420634 1 380 1 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 0 0.65726614 -13.072589 -3.9475558 1 381 1 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 0 1.1613805 -14.250471 -5.1998844 1 382 1 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 0 -2.213711 -9.787657 -7.525324 1 383 1 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 0 -3.2729957 -9.787193 -8.516845 1 384 1 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 0 -4.618087 -9.542953 -7.8764496 1 385 1 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 0 -4.724205 -9.347416 -6.660941 1 386 1 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 0 -5.647517 -9.553663 -8.7133465 1 387 1 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 0 -6.9815364 -9.214822 -8.2471285 1 388 1 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 0 -8.019576 -9.939382 -9.099951 1 389 1 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 0 -7.763535 -10.256836 -10.271342 1 390 1 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 0 -7.180423 -7.678477 -8.288359 1 391 1 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 0 -8.358707 -7.2297974 -7.4280205 1 392 1 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 0 -7.300415 -7.1890984 -9.735485 1 393 1 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 0 -8.354957 -5.721244 -7.1584687 1 394 1 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 0 -9.185946 -10.239083 -8.520113 1 395 1 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 0 -10.254147 -10.908436 -9.248148 1 396 1 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 0 -11.597819 -10.294672 -8.880148 1 397 1 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 0 -11.815819 -9.880727 -7.73792 1 398 1 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 0 -10.262935 -12.439962 -8.973413 1 399 1 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 0 -11.25787 -13.153642 -9.891342 1 400 1 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 0 -10.582269 -12.730808 -7.495826 1 401 1 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 0 -11.142995 -14.673108 -9.879751 1 402 1 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 0 -12.510016 -10.208845 -9.877143 1 403 1 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 0 -13.8823395 -9.780602 -9.630775 1 404 1 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 0 -14.745436 -11.043713 -9.634557 1 405 1 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 0 -14.953115 -11.645792 -10.697111 1 406 1 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 0 -14.359249 -8.809185 -10.705765 1 407 1 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 0 -15.66498 -8.135398 -10.368652 1 408 1 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 0 -16.840027 -8.521647 -10.985153 1 409 1 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 0 -15.711262 -7.117232 -9.439917 1 410 1 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 0 -18.04061 -7.903879 -10.664133 1 411 1 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 0 -16.910385 -6.4939194 -9.119049 1 412 1 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 0 -18.07529 -6.891075 -9.732035 1 413 1 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 0 -15.222813 -11.509737 -8.456638 1 414 1 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 0 -15.925326 -12.7924 -8.374973 1 415 1 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 0 -17.16664 -12.907108 -9.251987 1 416 1 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 0 -17.520557 -14.020254 -9.661011 1 417 1 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 0 -16.282566 -12.89833 -6.8853827 1 418 1 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 0 -15.264885 -12.059921 -6.194501 1 419 1 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 0 -15.052147 -10.895728 -7.13273 1 420 1 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 0 -17.842373 -11.790703 -9.559076 1 421 1 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 0 -19.066029 -11.82365 -10.337874 1 422 1 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 0 -18.928421 -12.479604 -11.70204 1 423 1 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 0 -19.817444 -13.217945 -12.128273 1 424 1 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 0 -17.814043 -12.203409 -12.413828 1 425 1 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 0 -17.583858 -12.79734 -13.727388 1 426 1 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 0 -16.184471 -13.375071 -13.885795 1 427 1 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 0 -15.791088 -13.737779 -14.995087 1 428 1 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 0 -17.856434 -11.76119 -14.837881 1 429 1 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 0 -16.92145 -10.560203 -14.775118 1 430 1 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 0 -16.029646 -10.523045 -13.902854 1 431 1 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 0 -17.076607 -9.649013 -15.614424 1 432 1 +ATOM N N . SER A0 1 56 . 56 SER A0 N 0 -15.4520645 -13.48402 -12.786633 1 433 1 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 0 -14.103006 -14.053101 -12.752913 1 434 1 +ATOM C C . SER A0 1 56 . 56 SER A0 C 0 -13.083782 -13.285086 -13.592118 1 435 1 +ATOM O O . SER A0 1 56 . 56 SER A0 O 0 -12.055471 -13.842081 -13.990076 1 436 1 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 0 -14.116847 -15.529229 -13.155603 1 437 1 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 0 -14.819068 -16.298187 -12.192274 1 438 1 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 0 -13.339096 -12.010624 -13.838345 1 439 1 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 0 -12.363177 -11.140547 -14.486128 1 440 1 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 0 -11.173126 -11.026728 -13.532066 1 441 1 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 0 -11.358203 -10.823212 -12.3235 1 442 1 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 0 -12.979097 -9.754065 -14.729662 1 443 1 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 0 -12.089901 -8.808068 -15.516035 1 444 1 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 0 -10.997696 -9.224262 -15.96862 1 445 1 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 0 -12.485748 -7.638973 -15.692007 1 446 1 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 0 -9.955906 -11.196117 -14.05685 1 447 1 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 0 -8.77956 -11.139494 -13.190915 1 448 1 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 0 -7.6043296 -10.437706 -13.859136 1 449 1 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 0 -7.4598107 -10.453257 -15.075928 1 450 1 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 0 -8.3644905 -12.536242 -12.725554 1 451 1 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 0 -8.3434105 -13.5962925 -13.801111 1 452 1 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 0 -8.175407 -14.985525 -13.179123 1 453 1 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 0 -8.38515 -16.105389 -14.189565 1 454 1 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 0 -9.826204 -16.33757 -14.438816 1 455 1 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 0 -6.773696 -9.816853 -13.024807 1 456 1 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 0 -5.5862913 -9.117741 -13.489684 1 457 1 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 0 -4.427835 -9.411358 -12.558921 1 458 1 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 0 -4.6185427 -9.619722 -11.350285 1 459 1 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 0 -5.826255 -7.5989428 -13.53191 1 460 1 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 0 -6.9580493 -7.171952 -14.467742 1 461 1 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 0 -6.608324 -7.3742924 -15.936192 1 462 1 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 0 -7.671291 -6.9193344 -16.823463 1 463 1 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 0 -8.663778 -7.683627 -17.250431 1 464 1 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 0 -8.734913 -8.956024 -16.86612 1 465 1 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 0 -9.585508 -7.1952286 -18.04346 1 466 1 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 0 -3.209668 -9.466578 -13.103635 1 467 1 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 0 -2.0257688 -9.785007 -12.323935 1 468 1 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 0 -0.96567726 -8.695574 -12.422677 1 469 1 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 0 -0.86103326 -8.018146 -13.449427 1 470 1 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 0 -1.3991787 -11.100581 -12.816436 1 471 1 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 0 -2.2898128 -12.309807 -12.728257 1 472 1 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 0 -3.107798 -12.672014 -13.793232 1 473 1 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 0 -2.3082705 -13.104134 -11.587809 1 474 1 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 0 -3.9298282 -13.785492 -13.719353 1 475 1 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 0 -3.128251 -14.222052 -11.502171 1 476 1 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 0 -3.9304218 -14.554155 -12.571672 1 477 1 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 0 -4.7412157 -15.660611 -12.503185 1 478 1 +ATOM N N . SER A0 1 61 . 61 SER A0 N 0 -0.19386524 -8.57105 -11.361616 1 479 1 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 0 0.9952955 -7.734256 -11.410786 1 480 1 +ATOM C C . SER A0 1 61 . 61 SER A0 C 0 1.9633192 -8.360004 -12.408641 1 481 1 +ATOM O O . SER A0 1 61 . 61 SER A0 O 0 2.0607224 -9.586573 -12.479229 1 482 1 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 0 1.6465576 -7.6650496 -10.02892 1 483 1 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 0 2.99208 -7.2157707 -10.118091 1 484 1 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 0 2.681644 -7.5502033 -13.213511 1 485 1 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 0 3.6543155 -8.123945 -14.145085 1 486 1 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 0 4.669148 -9.018812 -13.444124 1 487 1 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 0 5.1490116 -9.994513 -14.03846 1 488 1 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 0 4.323022 -6.8856244 -14.756842 1 489 1 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 0 3.2791626 -5.8281736 -14.667231 1 490 1 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 0 2.5776296 -6.0862265 -13.361514 1 491 1 +ATOM N N . SER A0 1 63 . 63 SER A0 N 0 5.004757 -8.727125 -12.187218 1 492 1 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 0 5.9679375 -9.513721 -11.429356 1 493 1 +ATOM C C . SER A0 1 63 . 63 SER A0 C 0 5.4492803 -10.909755 -11.077141 1 494 1 +ATOM O O . SER A0 1 63 . 63 SER A0 O 0 6.2439747 -11.796329 -10.759664 1 495 1 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 0 6.3656654 -8.783293 -10.148808 1 496 1 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 0 6.986682 -7.5418673 -10.440678 1 497 1 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 0 4.1332083 -11.096714 -11.111971 1 498 1 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 0 3.5344734 -12.383139 -10.76182 1 499 1 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 0 2.8067899 -13.035076 -11.931694 1 500 1 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 0 2.2995386 -14.140796 -11.790878 1 501 1 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 0 2.5761256 -12.220968 -9.573856 1 502 1 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 0 3.2818441 -11.86656 -8.288631 1 503 1 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 0 3.4562688 -10.538704 -7.912176 1 504 1 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 0 3.794378 -12.85804 -7.464327 1 505 1 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 0 4.1286964 -10.204506 -6.7405205 1 506 1 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 0 4.46299 -12.529076 -6.2907743 1 507 1 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 0 4.6290684 -11.204029 -5.926061 1 508 1 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 0 2.7849011 -12.3707695 -13.093136 1 509 1 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 0 2.1131759 -12.888919 -14.280447 1 510 1 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 0 2.6765797 -14.261711 -14.646257 1 511 1 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 0 3.8873622 -14.42057 -14.813082 1 512 1 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 0 2.3028338 -11.926051 -15.446895 1 513 1 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 0 1.5188081 -12.303368 -16.70279 1 514 1 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 0 0.057209782 -11.924157 -16.614946 1 515 1 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 0 -0.27073762 -10.778687 -16.32177 1 516 1 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 0 -0.81618613 -12.884391 -16.861223 1 517 1 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 0 1.7922621 -15.249541 -14.762999 1 518 1 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 0 2.1990132 -16.59644 -15.125548 1 519 1 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 0 2.7866662 -17.41996 -14.000105 1 520 1 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 0 3.1055336 -18.59718 -14.211168 1 521 1 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 0 2.9422443 -16.824139 -12.811527 1 522 1 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 0 3.5402179 -17.52518 -11.682619 1 523 1 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 0 2.491837 -18.128252 -10.762625 1 524 1 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 0 2.7643619 -19.13205 -10.102518 1 525 1 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 0 4.445586 -16.579233 -10.879808 1 526 1 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 0 5.4820476 -15.852356 -11.7284775 1 527 1 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 0 6.3680534 -16.80745 -12.5099325 1 528 1 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 0 6.871707 -17.78571 -11.972561 1 529 1 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 0 6.542761 -16.53166 -13.814491 1 530 1 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 0 1.3193117 -17.517288 -10.697363 1 531 1 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 0 0.21545604 -17.99548 -9.874271 1 532 1 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 0 -1.0783417 -17.857523 -10.667999 1 533 1 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 0 -1.1234425 -17.178585 -11.695366 1 534 1 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 0 0.09058891 -17.198544 -8.551739 1 535 1 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 0 1.2974247 -17.439157 -7.646921 1 536 1 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 0 -0.092797145 -15.712097 -8.841564 1 537 1 +ATOM N N . THR A0 1 69 . 69 THR A0 N 0 -2.1377783 -18.517878 -10.193731 1 538 1 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 0 -3.4513273 -18.398693 -10.810831 1 539 1 +ATOM C C . THR A0 1 69 . 69 THR A0 C 0 -4.4578257 -18.011078 -9.734188 1 540 1 +ATOM O O . THR A0 1 69 . 69 THR A0 O 0 -4.506035 -18.628754 -8.666752 1 541 1 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 0 -3.8832493 -19.718575 -11.471467 1 542 1 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 0 -2.9449186 -20.073845 -12.491085 1 543 1 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 0 -5.270259 -19.588144 -12.089279 1 544 1 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 0 -5.2379446 -16.956734 -10.005585 1 545 1 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 0 -6.2859955 -16.51704 -9.098569 1 546 1 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 0 -7.6268897 -16.958359 -9.680826 1 547 1 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 0 -7.8536115 -16.847038 -10.887645 1 548 1 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 0 -6.259516 -14.977953 -8.915847 1 549 1 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 0 -4.908433 -14.544182 -8.328193 1 550 1 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 0 -7.409953 -14.523415 -8.012789 1 551 1 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 0 -4.6993623 -13.031219 -8.302296 1 552 1 +ATOM N N . SER A0 1 71 . 71 SER A0 N 0 -8.501996 -17.477545 -8.840027 1 553 1 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 0 -9.818554 -17.925182 -9.279348 1 554 1 +ATOM C C . SER A0 1 71 . 71 SER A0 C 0 -10.847519 -17.67596 -8.188336 1 555 1 +ATOM O O . SER A0 1 71 . 71 SER A0 O 0 -10.491842 -17.340904 -7.0573654 1 556 1 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 0 -9.801191 -19.414013 -9.659763 1 557 1 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 0 -9.413929 -20.219479 -8.56398 1 558 1 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 0 -12.1229725 -17.8117 -8.542423 1 559 1 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 0 -13.189558 -17.587477 -7.5792236 1 560 1 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 0 -14.331173 -18.570251 -7.7759914 1 561 1 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 0 -14.586472 -19.03273 -8.88409 1 562 1 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 0 -13.721707 -16.155376 -7.6899757 1 563 1 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 0 -14.998628 -18.904373 -6.689168 1 564 1 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 0 -16.205246 -19.727768 -6.7100267 1 565 1 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 0 -17.259272 -18.921177 -5.9585905 1 566 1 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 0 -17.311256 -18.950449 -4.7280664 1 567 1 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 0 -15.96413 -21.087254 -6.025156 1 568 1 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 0 -17.165146 -22.018597 -6.141803 1 569 1 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 0 -18.268574 -21.541767 -6.4771767 1 570 1 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 0 -16.994698 -23.233768 -5.8941193 1 571 1 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 0 -18.07646 -18.179977 -6.7273855 1 572 1 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 0 -19.047915 -17.30598 -6.0763407 1 573 1 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 0 -20.163334 -18.064892 -5.36535 1 574 1 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 0 -20.842615 -17.491732 -4.507951 1 575 1 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 0 -19.638554 -16.303253 -7.0787234 1 576 1 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 0 -20.342297 -16.922344 -8.272787 1 577 1 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 0 -20.801388 -15.8190365 -9.233518 1 578 1 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 0 -21.42968 -16.409634 -10.478691 1 579 1 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 0 -21.824429 -15.342934 -11.435379 1 580 1 +ATOM N N . SER A0 1 75 . 75 SER A0 N 0 -20.340965 -19.37554 -5.6800346 1 581 1 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 0 -21.37595 -20.165968 -5.0137935 1 582 1 +ATOM C C . SER A0 1 75 . 75 SER A0 C 0 -21.052578 -20.394022 -3.5350697 1 583 1 +ATOM O O . SER A0 1 75 . 75 SER A0 O 0 -21.966225 -20.599798 -2.7284627 1 584 1 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 0 -21.567291 -21.513672 -5.721302 1 585 1 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 0 -20.472645 -22.381908 -5.5072794 1 586 1 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 0 -19.746746 -20.36073 -3.1839209 1 587 1 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 0 -19.345173 -20.515188 -1.7916281 1 588 1 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 0 -18.56709 -19.29981 -1.2887293 1 589 1 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 0 -17.875973 -19.369446 -0.26750118 1 590 1 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 0 -18.514515 -21.80442 -1.5674472 1 591 1 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 0 -17.291576 -21.824345 -2.469101 1 592 1 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 0 -19.383568 -23.032925 -1.7940099 1 593 1 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 0 -16.292694 -22.932661 -2.1424394 1 594 1 +ATOM N N . SER A0 1 77 . 77 SER A0 N 0 -18.6816 -18.184021 -1.9975712 1 595 1 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 0 -18.0624 -16.917067 -1.6108937 1 596 1 +ATOM C C . SER A0 1 77 . 77 SER A0 C 0 -16.582367 -17.075016 -1.2890573 1 597 1 +ATOM O O . SER A0 1 77 . 77 SER A0 O 0 -16.093433 -16.547318 -0.28301966 1 598 1 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 0 -18.804344 -16.30311 -0.4175967 1 599 1 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 0 -20.170868 -16.086182 -0.7074392 1 600 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 -15.85671 -17.786854 -2.1620507 1 601 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 -14.452598 -18.072979 -1.9136426 1 602 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 -13.573584 -17.718756 -3.1163025 1 603 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 -13.919889 -18.024284 -4.26247 1 604 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 -14.2544155 -19.549389 -1.5423157 1 605 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 -15.027846 -19.84377 -0.36943853 1 606 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 -12.7922 -19.865738 -1.2595432 1 607 1 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 0 -12.433935 -17.087175 -2.8298435 1 608 1 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 0 -11.424914 -16.770405 -3.8319798 1 609 1 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 0 -10.190566 -17.609177 -3.5233297 1 610 1 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 0 -9.896428 -17.880653 -2.3560596 1 611 1 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 0 -11.089104 -15.260813 -3.817071 1 612 1 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 0 -12.284185 -14.456577 -4.3224325 1 613 1 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 0 -9.871464 -14.968306 -4.679848 1 614 1 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 0 -9.454925 -18.03374 -4.5772824 1 615 1 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 0 -8.288521 -18.889671 -4.426688 1 616 1 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 0 -7.0353565 -18.291176 -5.054177 1 617 1 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 0 -7.1105776 -17.527355 -6.020424 1 618 1 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 0 -8.533184 -20.259693 -5.0726676 1 619 1 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 0 -9.744926 -20.986809 -4.5543394 1 620 1 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 0 -10.951925 -20.943344 -5.2419987 1 621 1 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 0 -9.679577 -21.729656 -3.3808048 1 622 1 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 0 -12.065643 -21.614584 -4.764824 1 623 1 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 0 -10.792409 -22.404755 -2.8958511 1 624 1 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 0 -11.981071 -22.346725 -3.5959167 1 625 1 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 0 -13.081045 -23.0077 -3.1284213 1 626 1 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 0 -5.900732 -18.68396 -4.4888153 1 627 1 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 0 -4.5862427 -18.380098 -5.042242 1 628 1 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 0 -3.8845181 -19.724583 -5.1701846 1 629 1 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 0 -3.8087893 -20.467712 -4.185254 1 630 1 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 0 -3.7901425 -17.456276 -4.11615 1 631 1 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 0 -2.3658714 -17.100306 -4.566965 1 632 1 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 0 -1.6356006 -16.365753 -3.4421494 1 633 1 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 0 -2.385457 -16.256721 -5.834572 1 634 1 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 0 -3.401247 -20.054901 -6.3767867 1 635 1 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 0 -2.8025303 -21.374004 -6.553768 1 636 1 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 0 -1.4994447 -21.34639 -7.340143 1 637 1 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 0 -1.258942 -20.45334 -8.15185 1 638 1 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 0 -3.7907786 -22.342323 -7.2227526 1 639 1 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 0 -4.177162 -21.985195 -8.647945 1 640 1 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 0 -5.2367063 -22.924503 -9.177752 1 641 1 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 0 -4.954891 -24.049894 -9.577586 1 642 1 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 0 -6.4902735 -22.476837 -9.145121 1 643 1 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 0 -0.66885084 -22.352425 -7.050833 1 644 1 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 0 0.59629554 -22.588816 -7.728571 1 645 1 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 0 0.54946494 -24.007652 -8.296713 1 646 1 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 0 0.04797016 -24.932285 -7.642831 1 647 1 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 0 1.7824154 -22.520367 -6.759364 1 648 1 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 0 2.0535867 -21.205872 -6.098428 1 649 1 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 0 2.9951196 -20.296362 -6.4653177 1 650 1 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 0 1.407209 -20.662544 -4.9458637 1 651 1 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 0 2.968484 -19.23339 -5.6000767 1 652 1 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 0 1.9953635 -19.4174 -4.6726856 1 653 1 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 0 0.35725272 -21.116938 -4.1261306 1 654 1 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 0 1.59518 -18.625572 -3.602654 1 655 1 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 0 -0.0358139 -20.318161 -3.061622 1 656 1 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 0 0.57970035 -19.0867 -2.8226914 1 657 1 +ATOM N N . SER A0 1 84 . 84 SER A0 N 0 1.0909985 -24.18674 -9.497004 1 658 1 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 0 1.1861248 -25.540735 -10.058136 1 659 1 +ATOM C C . SER A0 1 84 . 84 SER A0 C 0 2.49865 -26.198032 -9.642553 1 660 1 +ATOM O O . SER A0 1 84 . 84 SER A0 O 0 2.5870392 -27.426723 -9.607037 1 661 1 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 0 1.1010993 -25.490028 -11.586328 1 662 1 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 0 2.159448 -24.727654 -12.125349 1 663 1 +ATOM N N . SER A0 1 85 . 85 SER A0 N 0 3.4981868 -25.378098 -9.330469 1 664 1 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 0 4.8090625 -25.881794 -8.909798 1 665 1 +ATOM C C . SER A0 1 85 . 85 SER A0 C 0 5.456358 -24.857714 -7.9808135 1 666 1 +ATOM O O . SER A0 1 85 . 85 SER A0 O 0 5.9496336 -23.82415 -8.430256 1 667 1 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 0 5.703764 -26.146133 -10.123075 1 668 1 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 0 6.969858 -26.668114 -9.729003 1 669 1 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 0 5.4558277 -25.163822 -6.687851 1 670 1 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 0 5.9955664 -24.249296 -5.687434 1 671 1 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 0 7.520771 -24.183424 -5.7249613 1 672 1 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 0 8.190336 -25.17822 -6.032823 1 673 1 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 0 5.5452156 -24.67259 -4.2884936 1 674 1 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 0 4.07503 -24.428955 -3.9377418 1 675 1 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 0 3.6765895 -25.301426 -2.749572 1 676 1 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 0 3.8653846 -22.952335 -3.6085749 1 677 1 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 0 8.048788 -22.98867 -5.405325 1 678 1 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 0 9.481791 -22.779316 -5.278721 1 679 1 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 0 9.76839 -22.35363 -3.8500023 1 680 1 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 0 8.887328 -21.839294 -3.1565428 1 681 1 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 0 9.967602 -21.681198 -6.236469 1 682 1 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 0 9.524608 -21.858435 -7.6725183 1 683 1 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 0 10.030425 -20.71965 -8.538414 1 684 1 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 0 9.038779 -20.322533 -9.596147 1 685 1 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 0 8.663256 -21.449097 -10.4901905 1 686 1 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 0 11.016031 -22.549997 -3.4126058 1 687 1 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 0 11.399862 -22.150291 -2.0595336 1 688 1 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 0 11.174566 -20.65479 -1.8522507 1 689 1 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 0 10.836978 -20.217155 -0.7504211 1 690 1 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 0 12.861092 -22.513063 -1.7967186 1 691 1 +ATOM N N . SER A0 1 89 . 89 SER A0 N 0 11.338732 -19.862839 -2.9296403 1 692 1 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 0 11.164838 -18.417324 -2.853442 1 693 1 +ATOM C C . SER A0 1 89 . 89 SER A0 C 0 9.702015 -17.99968 -2.6867685 1 694 1 +ATOM O O . SER A0 1 89 . 89 SER A0 O 0 9.426891 -16.810589 -2.517136 1 695 1 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 0 11.766344 -17.740976 -4.0949817 1 696 1 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 0 11.150475 -18.199587 -5.277828 1 697 1 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 0 8.769826 -18.954657 -2.737701 1 698 1 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 0 7.36059 -18.65659 -2.50341 1 699 1 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 0 7.0275955 -18.59384 -1.0160913 1 700 1 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 0 5.8880835 -18.296438 -0.6487694 1 701 1 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 0 6.460408 -19.701488 -3.182445 1 702 1 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 0 6.4835243 -19.585112 -4.6975565 1 703 1 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 0 6.4973764 -20.64454 -5.3677087 1 704 1 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 0 6.475581 -18.442493 -5.208901 1 705 1 +ATOM N N . THR A0 1 91 . 91 THR A0 N 0 8.002496 -18.888918 -0.15806718 1 706 1 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 0 7.7997165 -18.81678 1.2828755 1 707 1 +ATOM C C . THR A0 1 91 . 91 THR A0 C 0 7.460508 -17.376991 1.669057 1 708 1 +ATOM O O . THR A0 1 91 . 91 THR A0 O 0 8.260078 -16.465439 1.4486693 1 709 1 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 0 9.054232 -19.284866 2.0430706 1 710 1 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 0 9.294622 -20.668215 1.7584454 1 711 1 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 0 8.892576 -19.096497 3.5468018 1 712 1 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 0 6.264317 -17.17492 2.2078905 1 713 1 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 0 5.804636 -15.834457 2.5469728 1 714 1 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 0 4.4397545 -15.903358 3.2182071 1 715 1 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 0 3.8026757 -16.956434 3.2556682 1 716 1 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 0 5.711644 -14.961689 1.2867368 1 717 1 +ATOM N N . MET A0 1 93 . 93 MET A0 N 0 4.0030375 -14.749922 3.7464738 1 718 1 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 0 2.6361692 -14.598322 4.229165 1 719 1 +ATOM C C . MET A0 1 93 . 93 MET A0 C 0 1.8171108 -14.054253 3.0661628 1 720 1 +ATOM O O . MET A0 1 93 . 93 MET A0 O 0 2.260109 -13.146627 2.3495126 1 721 1 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 0 2.5834675 -13.619104 5.406373 1 722 1 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 0 1.1913918 -13.439987 5.9998837 1 723 1 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 0 0.6610938 -14.8647785 6.964019 1 724 1 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 0 1.6456574 -14.6205635 8.450406 1 725 1 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 0 0.63948977 -14.631976 2.8391857 1 726 1 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 0 -0.24649219 -14.198425 1.7648025 1 727 1 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 0 -1.5570376 -13.680181 2.3516202 1 728 1 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 0 -2.1905851 -14.3600235 3.164928 1 729 1 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 0 -0.5094192 -15.348378 0.7814896 1 730 1 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 0 0.738027 -15.769528 0.041872695 1 731 1 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 0 1.6051497 -16.718853 0.5766816 1 732 1 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 0 1.0781765 -15.180647 -1.1696647 1 733 1 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 0 2.7766874 -17.07201 -0.07995659 1 734 1 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 0 2.2447598 -15.52927 -1.8364964 1 735 1 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 0 3.0890148 -16.474485 -1.2823718 1 736 1 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 0 4.251382 -16.817623 -1.9300997 1 737 1 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 0 -1.9434712 -12.468607 1.940109 1 738 1 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 0 -3.1765018 -11.85087 2.4126863 1 739 1 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 0 -4.1674995 -11.665501 1.2700989 1 740 1 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 0 -3.7739687 -11.318199 0.15129398 1 741 1 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 0 -2.9004009 -10.451027 2.987688 1 742 1 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 0 -2.064742 -10.4166565 4.2410383 1 743 1 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 0 -0.713279 -10.069587 4.190493 1 744 1 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 0 -2.623908 -10.692371 5.48098 1 745 1 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 0 0.052568167 -10.017047 5.341112 1 746 1 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 0 -1.8624381 -10.639073 6.6367817 1 747 1 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 0 -0.5297114 -10.299421 6.556363 1 748 1 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 0 0.22578064 -10.241331 7.6926355 1 749 1 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 0 -5.4494295 -11.893504 1.5440822 1 750 1 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 0 -6.5012407 -11.48558 0.6164687 1 751 1 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 0 -7.1287613 -10.230812 1.2071025 1 752 1 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 0 -7.075425 -10.010891 2.424089 1 753 1 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 0 -7.557423 -12.586218 0.41840628 1 754 1 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 0 -8.481642 -13.065676 1.890688 1 755 1 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 0 -7.677085 -9.369411 0.33877975 1 756 1 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 0 -8.259931 -8.121143 0.8109487 1 757 1 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 0 -9.344017 -7.651317 -0.15555188 1 758 1 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 0 -9.211109 -7.812428 -1.3714467 1 759 1 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 0 -7.185467 -7.040866 0.96339786 1 760 1 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 0 -10.434686 -7.0654783 0.39214763 1 761 1 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 0 -11.525884 -6.561201 -0.43257165 1 762 1 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 0 -11.159004 -5.1992683 -1.0110652 1 763 1 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 0 -10.725956 -4.3018827 -0.2799992 1 764 1 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 0 -12.8221855 -6.443039 0.38848656 1 765 1 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 0 -14.040953 -6.1272745 -0.4701185 1 766 1 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 0 -15.296978 -6.01598 0.36456656 1 767 1 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 0 -15.382009 -4.730755 1.0503011 1 768 1 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 0 -16.486588 -4.273605 1.6267803 1 769 1 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 0 -17.603264 -4.98378 1.5940337 1 770 1 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 0 -16.463337 -3.1040528 2.23925 1 771 1 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 0 -11.322802 -5.0765266 -2.3342454 1 772 1 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 0 -10.955036 -3.8589158 -3.0447726 1 773 1 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 0 -12.184933 -3.014467 -3.3800383 1 774 1 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 0 -13.085456 -3.4783344 -4.087612 1 775 1 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 0 -10.206377 -4.209536 -4.3306074 1 776 1 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 0 -9.608614 -3.0322313 -5.040897 1 777 1 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 0 -9.876719 -2.7502937 -6.368529 1 778 1 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 0 -8.738604 -2.092227 -4.630434 1 779 1 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 0 -9.195753 -1.6707745 -6.730709 1 780 1 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 0 -8.495404 -1.2482893 -5.686406 1 781 1 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 0 -12.222613 -1.7943151 -2.857782 1 782 1 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 0 -13.285834 -0.84197605 -3.1451225 1 783 1 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 0 -12.841969 0.015077816 -4.3324404 1 784 1 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 0 -11.744331 0.57835543 -4.310405 1 785 1 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 0 -13.575673 0.0744869 -1.9374113 1 786 1 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 0 -14.070993 -0.74755955 -0.7456206 1 787 1 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 0 -14.579306 1.1679156 -2.3124156 1 788 1 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 0 -15.444673 -1.347125 -0.9259444 1 789 1 +ATOM N N . THR A0 1 101 . 101 THR A0 N 0 -13.684187 0.090894334 -5.3765426 1 790 1 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 0 -13.388446 0.95024335 -6.5169926 1 791 1 +ATOM C C . THR A0 1 101 . 101 THR A0 C 0 -14.399696 2.096528 -6.5448093 1 792 1 +ATOM O O . THR A0 1 101 . 101 THR A0 O 0 -15.610064 1.8668528 -6.607131 1 793 1 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 0 -13.46396 0.18347013 -7.8479667 1 794 1 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 0 -14.734386 -0.45900816 -7.9751463 1 795 1 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 0 -12.358288 -0.8547782 -7.941476 1 796 1 +ATOM N N . THR A0 1 102 . 102 THR A0 N 0 -13.896471 3.3332167 -6.475655 1 797 1 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 0 -14.769485 4.5014014 -6.5349255 1 798 1 +ATOM C C . THR A0 1 102 . 102 THR A0 C 0 -14.932124 4.9919453 -7.970892 1 799 1 +ATOM O O . THR A0 1 102 . 102 THR A0 O 0 -15.924227 5.645356 -8.294467 1 800 1 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 0 -14.24226 5.6428146 -5.643291 1 801 1 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 0 -12.898484 5.9587564 -6.001465 1 802 1 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 0 -14.280956 5.2223063 -4.1723366 1 803 1 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 0 -13.9629135 4.683301 -8.843469 1 804 1 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 0 -14.047017 4.861946 -10.281837 1 805 1 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 0 -12.891616 4.111378 -10.919851 1 806 1 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 0 -12.095954 3.4842536 -10.209072 1 807 1 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 0 -14.061026 6.343484 -10.697744 1 808 1 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 0 -12.878293 7.146488 -10.249056 1 809 1 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 0 -11.638586 7.0345635 -10.855016 1 810 1 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 0 -12.751515 8.095257 -9.301512 1 811 1 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 0 -10.7939625 7.881692 -10.269074 1 812 1 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 0 -11.455107 8.52796 -9.319928 1 813 1 +ATOM N N . THR A0 1 104 . 104 THR A0 N 0 -12.771795 4.1485395 -12.256657 1 814 1 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 0 -11.801477 3.343608 -12.984877 1 815 1 +ATOM C C . THR A0 1 104 . 104 THR A0 C 0 -10.369837 3.4824305 -12.473579 1 816 1 +ATOM O O . THR A0 1 104 . 104 THR A0 O 0 -9.6163845 2.5059714 -12.469832 1 817 1 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 0 -11.846924 3.6999035 -14.486723 1 818 1 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 0 -13.200851 3.5737987 -14.955636 1 819 1 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 0 -10.949425 2.7653499 -15.302378 1 820 1 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 0 -9.973038 4.666581 -12.0312 1 821 1 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 0 -8.602771 4.930197 -11.621221 1 822 1 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 0 -8.443122 5.225174 -10.134882 1 823 1 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 0 -7.4948425 5.896372 -9.733015 1 824 1 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 0 -8.028679 6.0941257 -12.433025 1 825 1 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 0 -8.054026 5.8536835 -13.925015 1 826 1 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 0 -9.067108 6.3782244 -14.7288 1 827 1 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 0 -7.068382 5.083605 -14.536818 1 828 1 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 0 -9.093019 6.1403327 -16.093887 1 829 1 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 0 -7.092288 4.8462253 -15.902967 1 830 1 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 0 -8.099678 5.3750825 -16.6784 1 831 1 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 0 -8.127053 5.1399055 -18.023087 1 832 1 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 0 -9.352276 4.691687 -9.3068075 1 833 1 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 0 -9.331274 5.0276017 -7.8949704 1 834 1 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 0 -9.852674 3.8578305 -7.0754857 1 835 1 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 0 -10.965159 3.3843246 -7.311419 1 836 1 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 0 -10.19831 6.2768598 -7.679819 1 837 1 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 0 -10.15479 6.906205 -6.330166 1 838 1 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 0 -10.853937 8.247096 -6.431142 1 839 1 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 0 -11.178106 8.8067 -5.1300225 1 840 1 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 0 -11.681507 10.017281 -4.9555187 1 841 1 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 0 -11.908318 10.793996 -6.010416 1 842 1 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 0 -11.953105 10.444133 -3.7531905 1 843 1 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 0 -9.048862 3.3896828 -6.1209126 1 844 1 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 0 -9.46722 2.2696502 -5.296678 1 845 1 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 0 -8.53156 2.0186646 -4.126245 1 846 1 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 0 -7.430298 2.5682094 -4.057554 1 847 1 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 0 -8.9869795 1.1614729 -3.1878572 1 848 1 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 0 -8.232604 0.8480358 -1.9853885 1 849 1 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 0 -8.761449 -0.44531697 -1.3811951 1 850 1 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 0 -9.843573 -0.9145081 -1.7439213 1 851 1 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 0 -8.33505 1.9888929 -0.9623314 1 852 1 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 0 -9.765171 2.3962588 -0.67513907 1 853 1 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 0 -10.3753605 3.3905215 -1.4252801 1 854 1 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 0 -10.487373 1.773061 0.3244802 1 855 1 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 0 -11.696846 3.760551 -1.1727272 1 856 1 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 0 -11.799975 2.1365771 0.5775143 1 857 1 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 0 -12.403721 3.1285806 -0.1706971 1 858 1 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 0 -8.002792 -1.0399327 -0.43482885 1 859 1 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 0 -8.408112 -2.259478 0.25613365 1 860 1 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 0 -8.938406 -1.8860426 1.6417463 1 861 1 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 0 -8.191563 -1.3581483 2.4696543 1 862 1 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 0 -7.221225 -3.2123494 0.41569185 1 863 1 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 0 -6.6778784 -3.7502713 -0.88125503 1 864 1 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 0 -5.3863497 -3.4440937 -1.2967583 1 865 1 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 0 -7.449481 -4.58013 -1.6797675 1 866 1 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 0 -4.881115 -3.956664 -2.4821815 1 867 1 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 0 -6.953682 -5.0959253 -2.8708744 1 868 1 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 0 -5.664172 -4.781539 -3.269351 1 869 1 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 0 -10.231285 -2.1479666 1.9095962 1 870 1 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 0 -10.793642 -1.7517931 3.196231 1 871 1 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 0 -10.84399 -2.864286 4.2378693 1 872 1 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 0 -10.831624 -2.5718663 5.4353695 1 873 1 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 0 -12.17214 -1.0962006 3.0394516 1 874 1 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 0 -13.2567625 -2.008223 2.4710314 1 875 1 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 0 -12.930495 -3.0956373 1.954748 1 876 1 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 0 -14.446689 -1.6279056 2.557534 1 877 1 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 0 -10.898433 -4.1312914 3.8262668 1 878 1 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 0 -10.898073 -5.2490616 4.7643213 1 879 1 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 0 -9.888245 -6.2893715 4.301833 1 880 1 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 0 -9.798031 -6.5822086 3.1083145 1 881 1 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 0 -12.29213 -5.879703 4.884414 1 882 1 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 0 -13.268969 -5.0365386 5.65926 1 883 1 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 0 -14.110741 -4.1474314 5.006919 1 884 1 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 0 -13.329201 -5.1196203 7.0401497 1 885 1 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 0 -14.998258 -3.354889 5.722873 1 886 1 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 0 -14.215569 -4.33127 7.760087 1 887 1 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 0 -15.05408 -3.4483452 7.095786 1 888 1 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 0 -9.139755 -6.847478 5.252471 1 889 1 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 0 -8.092318 -7.8185544 4.9723325 1 890 1 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 0 -8.343475 -9.120328 5.7156315 1 891 1 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 0 -8.881451 -9.12731 6.8232245 1 892 1 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 0 -6.7224007 -7.2746816 5.406651 1 893 1 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 0 -6.240426 -6.0832386 4.6533794 1 894 1 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 0 -6.785678 -4.8275986 4.660224 1 895 1 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 0 -5.0955443 -6.0205026 3.803155 1 896 1 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 0 -6.044982 -3.9921966 3.860004 1 897 1 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 0 -5.008508 -4.7014437 3.3168468 1 898 1 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 0 -4.135172 -6.962657 3.3970613 1 899 1 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 0 -3.9878607 -4.2849503 2.4553523 1 900 1 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 0 -3.1263785 -6.5584373 2.5371118 1 901 1 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 0 -3.065938 -5.237253 2.0698183 1 902 1 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 0 -7.915459 -10.240269 5.097805 1 903 1 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 0 -7.9448204 -11.523649 5.7809353 1 904 1 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 0 -6.8157578 -11.572965 6.792225 1 905 1 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 0 -5.9486685 -10.693098 6.8245792 1 906 1 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 0 -6.7886677 -12.620362 7.626053 1 907 1 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 0 -5.78419 -12.726978 8.678573 1 908 1 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 0 -4.4265003 -13.174849 8.159593 1 909 1 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 0 -3.4325166 -13.103445 8.888248 1 910 1 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 0 -6.2629395 -13.690892 9.781885 1 911 1 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 0 -6.0561223 -15.184891 9.487787 1 912 1 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 0 -7.126654 -15.816472 8.62741 1 913 1 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 0 -7.8994236 -15.114443 7.930807 1 914 1 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 0 -7.194028 -17.153336 8.650705 1 915 1 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 0 -4.359432 -13.630178 6.916208 1 916 1 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 0 -3.108646 -14.084291 6.322715 1 917 1 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 0 -2.939639 -15.592022 6.367117 1 918 1 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 0 -3.4603639 -16.26218 7.2614217 1 919 1 +ATOM N N . THR A0 1 116 . 116 THR A0 N 0 -2.225646 -16.128174 5.36542 1 920 1 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 0 -1.8993559 -17.546616 5.3108444 1 921 1 +ATOM C C . THR A0 1 116 . 116 THR A0 C 0 -0.38861468 -17.661995 5.1102066 1 922 1 +ATOM O O . THR A0 1 116 . 116 THR A0 O 0 0.15120015 -17.143532 4.130853 1 923 1 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 0 -2.6190197 -18.26031 4.146281 1 924 1 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 0 -4.0330276 -18.203465 4.3384514 1 925 1 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 0 -2.1783252 -19.71825 4.0455275 1 926 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 0.29327065 -18.331001 6.0508194 1 927 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 1.7343869 -18.520128 5.9527845 1 928 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 2.02112 -19.763542 5.114582 1 929 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 1.5342126 -20.854109 5.420886 1 930 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 2.3625402 -18.669296 7.338948 1 931 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 3.8770807 -18.864697 7.3697524 1 932 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 4.3528237 -19.16558 8.779397 1 933 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 4.5989313 -17.651825 6.7882757 1 934 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 2.804458 -19.584864 4.0489707 1 935 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 3.1929517 -20.691738 3.1816883 1 936 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 4.698593 -20.893978 3.3174791 1 937 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 5.4719796 -19.9562 3.102947 1 938 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 2.8269553 -20.417763 1.7045652 1 939 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 3.3609748 -21.530457 0.8027171 1 940 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 1.3107983 -20.2766 1.5540204 1 941 1 +ATOM N N . THR A0 1 119 . 119 THR A0 N 0 5.113158 -22.109158 3.699081 1 942 1 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 0 6.519684 -22.449978 3.834292 1 943 1 +ATOM C C . THR A0 1 119 . 119 THR A0 C 0 6.849062 -23.528793 2.804458 1 944 1 +ATOM O O . THR A0 1 119 . 119 THR A0 O 0 6.188736 -24.57093 2.7667212 1 945 1 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 0 6.8393145 -22.96194 5.2507944 1 946 1 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 0 6.50108 -21.948235 6.209495 1 947 1 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 0 8.318163 -23.309412 5.3847094 1 948 1 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 0 7.840386 -23.258442 1.9540434 1 949 1 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 0 8.237175 -24.207947 0.91885257 1 950 1 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 0 9.687836 -24.6151 1.1532445 1 951 1 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 0 10.583665 -23.773582 1.122361 1 952 1 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 0 8.077091 -23.613716 -0.49681604 1 953 1 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 0 8.363829 -24.675938 -1.5507166 1 954 1 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 0 6.6752195 -23.03297 -0.68259335 1 955 1 +ATOM N N . SER A0 1 121 . 121 SER A0 N 0 9.911636 -25.897987 1.3895128 1 956 1 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 0 11.25153 -26.401417 1.6598998 1 957 1 +ATOM C C . SER A0 1 121 . 121 SER A0 C 0 11.304393 -27.901886 1.3992636 1 958 1 +ATOM O O . SER A0 1 121 . 121 SER A0 O 0 10.295578 -28.597363 1.5562478 1 959 1 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 0 11.651541 -26.109795 3.1047568 1 960 1 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 0 12.887834 -26.721762 3.4310603 1 961 1 +ATOM N N . SER A0 1 122 . 122 SER A0 N 0 12.502993 -28.38786 1.0094543 1 962 1 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 0 12.69438 -29.824287 0.80699015 1 963 1 +ATOM C C . SER A0 1 122 . 122 SER A0 C 0 12.9961815 -30.540737 2.1192956 1 964 1 +ATOM O O . SER A0 1 122 . 122 SER A0 O 0 13.075672 -31.77259 2.150402 1 965 1 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 0 13.837257 -30.07629 -0.18402933 1 966 1 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 0 15.0594845 -29.52918 0.2884044 1 967 1 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 0 13.1533165 -29.766779 3.2077613 1 968 1 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 0 13.468262 -30.341648 4.5057983 1 969 1 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 0 12.298683 -31.14064 5.0626082 1 970 1 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 0 11.144711 -30.84842 4.781204 1 971 1 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 0 13.861486 -29.243584 5.493142 1 972 1 +ATOM N N . SER A0 1 124 . 124 SER A0 N 0 12.644772 -32.161774 5.858573 1 973 1 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 0 11.638636 -32.976753 6.533165 1 974 1 +ATOM C C . SER A0 1 124 . 124 SER A0 C 0 11.515394 -32.51493 7.9769335 1 975 1 +ATOM O O . SER A0 1 124 . 124 SER A0 O 0 12.441353 -31.914112 8.532857 1 976 1 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 0 12.025158 -34.45557 6.4973345 1 977 1 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 0 12.119318 -34.94121 5.1713157 1 978 1 +ATOM N N . THR A0 1 125 . 125 THR A0 N 0 10.368689 -32.794495 8.575485 1 979 1 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 0 10.144249 -32.411095 9.968405 1 980 1 +ATOM C C . THR A0 1 125 . 125 THR A0 C 0 11.238281 -32.99689 10.857595 1 981 1 +ATOM O O . THR A0 1 125 . 125 THR A0 O 0 11.528257 -34.191597 10.791481 1 982 1 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 0 8.767488 -32.886814 10.45311 1 983 1 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 0 7.74618 -32.28646 9.646822 1 984 1 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 0 8.533645 -32.520233 11.9153805 1 985 1 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 0 11.848607 -32.136627 11.661219 1 986 1 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 0 12.941736 -32.556946 12.526918 1 987 1 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 0 12.920858 -31.751581 13.819254 1 988 1 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 0 12.794504 -30.521698 13.79212 1 989 1 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 0 14.291666 -32.365482 11.818754 1 990 1 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 0 15.496551 -32.791092 12.648651 1 991 1 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 0 16.801228 -32.547848 11.893167 1 992 1 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 0 18.019798 -33.036034 12.667332 1 993 1 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 0 18.148357 -32.34993 13.980822 1 994 1 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 0 13.054214 -32.43366 14.931057 1 995 1 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 0 13.122937 -31.770329 16.224503 1 996 1 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 0 14.4927845 -31.161785 16.452837 1 997 1 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 0 15.4837885 -31.608078 15.872581 1 998 1 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 0 14.572484 -30.13176 17.313145 1 999 1 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 0 15.849923 -29.44757 17.518368 1 1000 1 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 0 16.7832 -30.153828 18.487831 1 1001 1 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 0 16.341423 -30.939774 19.33243 1 1002 1 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 0 15.426186 -28.093412 18.10756 1 1003 1 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 0 14.2092495 -28.440102 18.903446 1 1004 1 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 0 13.476868 -29.47787 18.06586 1 1005 1 +ATOM N N . SER A0 1 129 . 129 SER A0 N 0 18.07701 -29.854706 18.33792 1 1006 1 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 0 19.070126 -30.215076 19.338766 1 1007 1 +ATOM C C . SER A0 1 129 . 129 SER A0 C 0 19.199167 -28.966919 20.200142 1 1008 1 +ATOM O O . SER A0 1 129 . 129 SER A0 O 0 19.205326 -27.844307 19.667908 1 1009 1 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 0 20.416397 -30.552696 18.697254 1 1010 1 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 0 20.317436 -31.687645 17.852953 1 1011 1 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 0 19.271534 -29.1248 21.506973 1 1012 1 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 0 19.353449 -27.98438 22.411358 1 1013 1 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 0 20.691244 -28.01781 23.143192 1 1014 1 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 0 20.98487 -28.971457 23.869183 1 1015 1 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 0 18.185253 -27.974356 23.419777 1 1016 1 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 0 18.270258 -26.754074 24.330904 1 1017 1 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 0 16.851595 -27.989578 22.673643 1 1018 1 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 0 21.508194 -26.97761 22.922417 1 1019 1 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 0 22.831604 -26.899317 23.522373 1 1020 1 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 0 22.917343 -25.71952 24.482359 1 1021 1 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 0 22.304003 -24.672958 24.23047 1 1022 1 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 0 23.910534 -26.755777 22.441397 1 1023 1 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 0 23.898365 -27.864876 21.42778 1 1024 1 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 0 23.566269 -27.609982 20.110058 1 1025 1 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 0 24.227238 -29.150423 21.806164 1 1026 1 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 0 23.552933 -28.631763 19.177044 1 1027 1 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 0 24.21492 -30.181057 20.883615 1 1028 1 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 0 23.87758 -29.920195 19.57057 1 1029 1 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 0 23.674568 -25.865505 25.564655 1 1030 1 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 0 23.78025 -24.76339 26.522446 1 1031 1 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 0 24.727194 -23.669014 26.05796 1 1032 1 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 0 25.727013 -23.940033 25.388401 1 1033 1 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 0 24.317083 -25.449593 27.788141 1 1034 1 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 0 25.165218 -26.555676 27.251312 1 1035 1 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 0 24.4137 -27.058533 26.033983 1 1036 1 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 0 24.38507 -22.442635 26.376839 1 1037 1 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 0 25.267189 -21.291409 26.243862 1 1038 1 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 0 25.635351 -20.977604 27.68711 1 1039 1 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 0 24.940983 -20.237204 28.387867 1 1040 1 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 0 24.54691 -20.112597 25.573511 1 1041 1 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 0 24.096664 -20.353655 24.140306 1 1042 1 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 0 23.184622 -19.233673 23.66158 1 1043 1 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 0 25.296759 -20.495163 23.213863 1 1044 1 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 0 26.71883 -21.61229 28.150429 1 1045 1 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 0 27.094772 -21.590347 29.560505 1 1046 1 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 0 27.684351 -20.256351 30.013184 1 1047 1 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 0 28.483025 -19.65047 29.30096 1 1048 1 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 0 28.080427 -22.713718 29.855 1 1049 1 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 0 27.294037 -19.804012 31.213448 1 1050 1 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 0 27.870743 -18.575127 31.753391 1 1051 1 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 0 29.33275 -18.794136 32.136307 1 1052 1 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 0 29.716904 -19.874226 32.58648 1 1053 1 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 0 27.004702 -18.290407 32.990395 1 1054 1 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 0 26.521084 -19.637629 33.410915 1 1055 1 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 0 26.310007 -20.401562 32.131115 1 1056 1 +ATOM N N . SER A0 1 136 . 136 SER A0 N 0 30.15013 -17.775333 31.923779 1 1057 1 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 0 31.56884 -17.845072 32.248135 1 1058 1 +ATOM C C . SER A0 1 136 . 136 SER A0 C 0 32.100945 -16.431795 32.40679 1 1059 1 +ATOM O O . SER A0 1 136 . 136 SER A0 O 0 31.340454 -15.457117 32.363586 1 1060 1 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 0 32.342606 -18.563194 31.143326 1 1061 1 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 0 32.393154 -17.77076 29.97014 1 1062 1 +ATOM N N . SER A0 1 137 . 137 SER A0 N 0 33.401115 -16.320448 32.556656 1 1063 1 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 0 34.023724 -15.010106 32.680668 1 1064 1 +ATOM C C . SER A0 1 137 . 137 SER A0 C 0 33.882156 -14.21008 31.388802 1 1065 1 +ATOM O O . SER A0 1 137 . 137 SER A0 O 0 33.99874 -12.982444 31.400988 1 1066 1 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 0 35.50406 -15.157582 33.047005 1 1067 1 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 0 36.227535 -15.835945 32.040894 1 1068 1 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 0 33.627983 -14.90965 30.268606 1 1069 1 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 0 33.460213 -14.260923 28.966125 1 1070 1 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 0 32.013176 -13.829868 28.72261 1 1071 1 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 0 31.7292 -13.201649 27.704094 1 1072 1 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 0 33.914104 -15.197783 27.849037 1 1073 1 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 0 35.36864 -15.653026 27.973701 1 1074 1 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 0 36.340332 -14.472939 27.887619 1 1075 1 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 0 37.792496 -14.94447 27.952118 1 1076 1 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 0 38.73613 -13.804733 27.898376 1 1077 1 +ATOM N N . SER A0 1 139 . 139 SER A0 N 0 31.081308 -14.193374 29.61829 1 1078 1 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 0 29.685532 -13.796281 29.512829 1 1079 1 +ATOM C C . SER A0 1 139 . 139 SER A0 C 0 29.23511 -13.133168 30.803083 1 1080 1 +ATOM O O . SER A0 1 139 . 139 SER A0 O 0 28.095867 -13.2848625 31.226536 1 1081 1 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 0 28.797558 -15.0007515 29.199234 1 1082 1 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 0 28.843578 -15.959015 30.244188 1 1083 1 +ATOM N N . THR A0 1 140 . 140 THR A0 N 0 30.157097 -12.38754 31.428333 1 1084 1 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 0 29.888233 -11.68124 32.673054 1 1085 1 +ATOM C C . THR A0 1 140 . 140 THR A0 C 0 30.344648 -10.23711 32.534164 1 1086 1 +ATOM O O . THR A0 1 140 . 140 THR A0 O 0 31.414898 -9.970551 31.994286 1 1087 1 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 0 30.612988 -12.332573 33.858818 1 1088 1 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 0 30.206127 -13.696565 33.97902 1 1089 1 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 0 30.308508 -11.603352 35.15782 1 1090 1 +ATOM N N . SER A0 1 141 . 141 SER A0 N 0 29.517374 -9.314956 33.002106 1 1091 1 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 0 29.845034 -7.8905425 32.995094 1 1092 1 +ATOM C C . SER A0 1 141 . 141 SER A0 C 0 29.442362 -7.3247643 34.3495 1 1093 1 +ATOM O O . SER A0 1 141 . 141 SER A0 O 0 28.25509 -7.1913505 34.64898 1 1094 1 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 0 29.11837 -7.170787 31.871666 1 1095 1 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 0 29.400583 -5.7734365 31.90381 1 1096 1 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 0 30.44117 -7.000813 35.162292 1 1097 1 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 0 30.155846 -6.518218 36.50168 1 1098 1 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 0 29.470505 -7.5979877 37.32727 1 1099 1 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 0 29.987326 -8.70069 37.46131 1 1100 1 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 0 28.279816 -7.2892475 37.85617 1 1101 1 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 0 27.53953 -8.262195 38.64985 1 1102 1 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 0 26.464924 -8.987703 37.866516 1 1103 1 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 0 25.594341 -9.624399 38.45833 1 1104 1 +ATOM N N . THR A0 1 144 . 144 THR A0 N 0 26.528912 -8.909676 36.516357 1 1105 1 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 0 25.53735 -9.554533 35.6596 1 1106 1 +ATOM C C . THR A0 1 144 . 144 THR A0 C 0 26.182808 -10.6201515 34.78842 1 1107 1 +ATOM O O . THR A0 1 144 . 144 THR A0 O 0 27.247013 -10.400442 34.216522 1 1108 1 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 0 24.833424 -8.514582 34.77005 1 1109 1 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 0 24.165401 -7.558777 35.591087 1 1110 1 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 0 23.815113 -9.180032 33.854504 1 1111 1 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 0 25.519882 -11.772491 34.691498 1 1112 1 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 0 26.001926 -12.868913 33.855488 1 1113 1 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 0 24.949055 -13.187998 32.800312 1 1114 1 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 0 23.75022 -13.079696 33.05413 1 1115 1 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 0 26.284475 -14.109978 34.69989 1 1116 1 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 0 25.40121 -13.560317 31.592903 1 1117 1 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 0 24.498478 -13.966871 30.524578 1 1118 1 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 0 24.644333 -15.463958 30.286728 1 1119 1 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 0 25.747208 -16.002136 30.328472 1 1120 1 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 0 24.79578 -13.195765 29.243423 1 1121 1 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 0 23.534452 -16.128595 30.040123 1 1122 1 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 0 23.527004 -17.54543 29.732456 1 1123 1 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 0 22.351173 -17.81167 28.790663 1 1124 1 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 0 21.476513 -16.958275 28.615993 1 1125 1 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 0 23.39973 -18.405148 31.004425 1 1126 1 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 0 22.173977 -18.189314 31.889402 1 1127 1 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 0 21.094791 -19.216213 31.588997 1 1128 1 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 0 22.55244 -18.220978 33.367348 1 1129 1 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 0 22.33221 -18.992224 28.175669 1 1130 1 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 0 21.233917 -19.275984 27.271187 1 1131 1 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 0 21.23355 -20.691975 26.737822 1 1132 1 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 0 21.930862 -21.57463 27.24567 1 1133 1 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 0 20.39355 -20.888111 25.716171 1 1134 1 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 0 20.267002 -22.17555 25.046406 1 1135 1 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 0 20.268496 -21.95222 23.539612 1 1136 1 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 0 19.604355 -21.032896 23.04625 1 1137 1 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 0 18.968445 -22.882404 25.450016 1 1138 1 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 0 18.993382 -23.599964 27.080166 1 1139 1 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 0 21.033634 -22.782534 22.816013 1 1140 1 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 0 21.062176 -22.762886 21.35845 1 1141 1 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 0 20.135517 -23.87509 20.87887 1 1142 1 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 0 20.367588 -25.05258 21.174238 1 1143 1 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 0 22.494486 -22.989235 20.848976 1 1144 1 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 0 22.679642 -23.137236 19.338951 1 1145 1 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 0 24.138351 -23.481792 19.029905 1 1146 1 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 0 22.260006 -21.866644 18.610054 1 1147 1 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 0 19.066662 -23.493715 20.171513 1 1148 1 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 0 18.066397 -24.440836 19.68341 1 1149 1 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 0 18.319744 -24.598675 18.187286 1 1150 1 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 0 17.938389 -23.744469 17.376694 1 1151 1 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 0 16.639656 -23.915932 19.965694 1 1152 1 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 0 15.601607 -24.946815 19.553204 1 1153 1 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 0 16.491356 -23.569214 21.453001 1 1154 1 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 0 19.000355 -25.69077 17.825619 1 1155 1 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 0 19.563694 -25.829815 16.489143 1 1156 1 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 0 18.974726 -26.974936 15.656109 1 1157 1 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 0 18.63016 -28.034674 16.182304 1 1158 1 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 0 21.08353 -26.003855 16.599941 1 1159 1 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 0 21.8265 -25.963562 15.276262 1 1160 1 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 0 23.329643 -25.90697 15.492464 1 1161 1 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 0 24.1016 -26.174782 14.208793 1 1162 1 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 0 23.831633 -25.168465 13.160793 1 1163 1 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 0 18.888739 -26.716213 14.361501 1 1164 1 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 0 18.557917 -27.701454 13.338702 1 1165 1 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 0 17.164848 -28.31559 13.496113 1 1166 1 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 0 17.017965 -29.526793 13.688648 1 1167 1 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 0 19.626741 -28.803091 13.287103 1 1168 1 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 0 20.982456 -28.284403 12.846235 1 1169 1 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 0 21.02978 -27.236712 12.158739 1 1170 1 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 0 22.003983 -28.919716 13.171089 1 1171 1 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 0 16.134857 -27.481018 13.35593 1 1172 1 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 0 14.763648 -27.972925 13.40684 1 1173 1 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 0 13.980942 -27.491938 12.183912 1 1174 1 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 0 14.390739 -26.560188 11.483345 1 1175 1 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 0 14.058968 -27.531563 14.699274 1 1176 1 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 0 13.855251 -26.040483 14.833408 1 1177 1 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 0 14.816782 -25.24187 15.444633 1 1178 1 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 0 12.699121 -25.430008 14.369095 1 1179 1 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 0 14.629658 -23.876282 15.586908 1 1180 1 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 0 12.503271 -24.071836 14.506881 1 1181 1 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 0 13.467914 -23.293438 15.119722 1 1182 1 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 0 13.281839 -21.953133 15.257477 1 1183 1 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 0 12.86913 -28.174168 11.936346 1 1184 1 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 0 11.977528 -27.810188 10.833646 1 1185 1 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 0 10.618409 -28.448036 11.067588 1 1186 1 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 0 10.546068 -29.592598 11.497782 1 1187 1 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 0 12.545609 -28.27694 9.48304 1 1188 1 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 0 11.705841 -27.8466 8.318794 1 1189 1 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 0 10.699598 -28.670498 7.8254843 1 1190 1 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 0 11.901953 -26.607313 7.7282815 1 1191 1 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 0 9.90252 -28.264746 6.772156 1 1192 1 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 0 11.1075115 -26.199188 6.6749907 1 1193 1 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 0 10.110836 -27.025558 6.190991 1 1194 1 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 0 9.530142 -27.722492 10.774353 1 1195 1 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 0 9.459687 -26.301132 10.403991 1 1196 1 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 0 9.327641 -25.41408 11.641542 1 1197 1 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 0 9.455694 -25.899696 12.776652 1 1198 1 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 0 8.167285 -26.257034 9.573477 1 1199 1 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 0 7.2757893 -27.224741 10.292307 1 1200 1 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 0 8.176371 -28.338524 10.766217 1 1201 1 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 0 9.115114 -24.14544 11.421438 1 1202 1 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 0 8.776623 -23.233873 12.51627 1 1203 1 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 0 7.39811 -23.625813 13.037306 1 1204 1 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 0 6.5970726 -24.230053 12.312247 1 1205 1 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 0 8.74205 -21.792374 11.989513 1 1206 1 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 0 10.117819 -21.183208 11.76647 1 1207 1 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 0 10.5921755 -20.401709 12.964624 1 1208 1 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 0 10.790791 -21.013485 14.037827 1 1209 1 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 0 10.760086 -19.16758 12.844084 1 1210 1 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 0 7.0602407 -23.317081 14.281601 1 1211 1 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 0 7.8564587 -22.590115 15.274438 1 1212 1 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 0 8.343876 -23.469666 16.411163 1 1213 1 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 0 7.957923 -24.642365 16.50853 1 1214 1 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 0 6.8299427 -21.589798 15.839264 1 1215 1 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 0 5.56235 -22.39795 15.8850975 1 1216 1 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 0 5.6200857 -23.345028 14.701344 1 1217 1 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 0 9.211004 -22.906834 17.23865 1 1218 1 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 0 9.568095 -23.494179 18.526596 1 1219 1 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 0 9.229465 -22.454365 19.577923 1 1220 1 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 0 9.213774 -21.250416 19.302404 1 1221 1 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 0 11.068491 -23.858372 18.647377 1 1222 1 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 0 11.442057 -24.978626 17.701946 1 1223 1 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 0 11.945343 -22.637196 18.44909 1 1224 1 +ATOM N N . THR A0 1 160 . 160 THR A0 N 0 8.912584 -22.920597 20.788162 1 1225 1 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 0 8.6765785 -22.010847 21.899704 1 1226 1 +ATOM C C . THR A0 1 160 . 160 THR A0 C 0 9.731674 -22.294231 22.961905 1 1227 1 +ATOM O O . THR A0 1 160 . 160 THR A0 O 0 10.132565 -23.446117 23.157284 1 1228 1 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 0 7.275977 -22.182594 22.515873 1 1229 1 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 0 7.106901 -23.533949 22.962961 1 1230 1 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 0 6.197057 -21.853346 21.49237 1 1231 1 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 0 10.207939 -21.24044 23.612818 1 1232 1 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 0 11.210775 -21.378593 24.660866 1 1233 1 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 0 10.756 -20.598488 25.88895 1 1234 1 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 0 10.370964 -19.432354 25.787298 1 1235 1 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 0 12.597698 -20.854647 24.21696 1 1236 1 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 0 13.626343 -21.07456 25.327587 1 1237 1 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 0 13.051792 -21.53336 22.932308 1 1238 1 +ATOM N N . SER A0 1 162 . 162 SER A0 N 0 10.789149 -21.25012 27.034338 1 1239 1 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 0 10.537733 -20.588005 28.305824 1 1240 1 +ATOM C C . SER A0 1 162 . 162 SER A0 C 0 11.700335 -20.900913 29.232594 1 1241 1 +ATOM O O . SER A0 1 162 . 162 SER A0 O 0 12.511047 -21.789425 28.946442 1 1242 1 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 0 9.20783 -21.044325 28.929665 1 1243 1 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 0 9.251624 -22.421707 29.265015 1 1244 1 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 0 11.783114 -20.175783 30.333733 1 1245 1 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 0 12.834816 -20.406195 31.30566 1 1246 1 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 0 12.213737 -20.70865 32.666367 1 1247 1 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 0 11.304642 -20.006523 33.113487 1 1248 1 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 0 13.780403 -19.195133 31.387348 1 1249 1 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 0 14.705058 -19.122086 30.2142 1 1250 1 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 0 14.465099 -18.511974 29.022354 1 1251 1 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 0 16.003208 -19.704472 30.116135 1 1252 1 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 0 15.536327 -18.678608 28.181309 1 1253 1 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 0 16.496151 -19.400871 28.8311 1 1254 1 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 0 16.805227 -20.45327 30.994186 1 1255 1 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 0 17.751837 -19.82464 28.392803 1 1256 1 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 0 18.051342 -20.87527 30.5581 1 1257 1 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 0 18.51541 -20.563145 29.274544 1 1258 1 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 0 12.708199 -21.751652 33.28923 1 1259 1 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 0 12.218666 -22.204157 34.593742 1 1260 1 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 0 10.690859 -22.325977 34.5949 1 1261 1 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 0 10.003042 -21.855175 35.49385 1 1262 1 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 0 12.693608 -21.264404 35.707092 1 1263 1 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 0 14.193257 -21.350037 35.910477 1 1264 1 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 0 14.871403 -22.172266 35.297558 1 1265 1 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 0 14.734083 -20.4847 36.760525 1 1266 1 +ATOM N N . SER A0 1 165 . 165 SER A0 N 0 10.175265 -22.979513 33.510494 1 1267 1 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 0 8.747519 -23.250961 33.34571 1 1268 1 +ATOM C C . SER A0 1 165 . 165 SER A0 C 0 7.904398 -21.976448 33.40604 1 1269 1 +ATOM O O . SER A0 1 165 . 165 SER A0 O 0 6.7600136 -22.001865 33.859055 1 1270 1 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 0 8.259672 -24.26401 34.380623 1 1271 1 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 0 8.969339 -25.488197 34.267097 1 1272 1 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 0 8.481215 -20.867332 32.932198 1 1273 1 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 0 7.762706 -19.607967 32.87954 1 1274 1 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 0 7.976991 -18.697784 34.061924 1 1275 1 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 0 7.507353 -17.562017 34.047462 1 1276 1 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 0 8.673673 -19.1619 35.069767 1 1277 1 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 0 8.910845 -18.36222 36.267567 1 1278 1 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 0 9.944582 -17.263847 36.03366 1 1279 1 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 0 9.971518 -16.269724 36.76368 1 1280 1 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 0 9.348089 -19.255196 37.424614 1 1281 1 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 0 10.814266 -17.462797 35.02282 1 1282 1 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 0 11.850022 -16.481462 34.71837 1 1283 1 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 0 11.5386095 -15.813923 33.38159 1 1284 1 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 0 11.563627 -16.466835 32.341393 1 1285 1 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 0 13.22938 -17.154778 34.66583 1 1286 1 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 0 14.420408 -16.26511 34.29412 1 1287 1 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 0 15.704204 -17.09076 34.27897 1 1288 1 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 0 14.546143 -15.079681 35.23809 1 1289 1 +ATOM N N . THR A0 1 169 . 169 THR A0 N 0 11.201061 -14.530435 33.41565 1 1290 1 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 0 10.888966 -13.78815 32.202656 1 1291 1 +ATOM C C . THR A0 1 169 . 169 THR A0 C 0 11.717731 -12.516539 32.085068 1 1292 1 +ATOM O O . THR A0 1 169 . 169 THR A0 O 0 11.995868 -12.067348 30.973995 1 1293 1 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 0 9.39164 -13.417303 32.1479 1 1294 1 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 0 9.041313 -12.651266 33.30265 1 1295 1 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 0 8.522707 -14.675999 32.09504 1 1296 1 +ATOM N N . SER A0 1 170 . 170 SER A0 N 0 12.109142 -11.94003 33.198006 1 1297 1 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 0 12.8903885 -10.7060175 33.190395 1 1298 1 +ATOM C C . SER A0 1 170 . 170 SER A0 C 0 14.285728 -10.959337 32.61718 1 1299 1 +ATOM O O . SER A0 1 170 . 170 SER A0 O 0 14.964922 -11.897821 33.022533 1 1300 1 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 0 12.993372 -10.141489 34.60322 1 1301 1 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 0 13.750452 -8.945711 34.62368 1 1302 1 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 0 14.683398 -10.1303005 31.659996 1 1303 1 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 0 16.000492 -10.242149 31.059982 1 1304 1 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 0 16.113083 -11.2964115 29.976633 1 1305 1 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 0 17.208904 -11.531874 29.473602 1 1306 1 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 0 14.992153 -11.929031 29.60669 1 1307 1 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 0 15.001841 -12.976896 28.587729 1 1308 1 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 0 14.881286 -12.374989 27.188473 1 1309 1 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 0 14.063524 -11.475925 26.95745 1 1310 1 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 0 13.856778 -13.988283 28.818596 1 1311 1 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 0 13.765542 -14.97018 27.64941 1 1312 1 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 0 14.072151 -14.7378025 30.124996 1 1313 1 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 0 15.691512 -12.877092 26.260967 1 1314 1 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 0 15.576332 -12.539648 24.844517 1 1315 1 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 0 15.591696 -13.833801 24.046011 1 1316 1 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 0 16.608078 -14.541325 24.036457 1 1317 1 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 0 16.736801 -11.644754 24.370483 1 1318 1 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 0 16.751549 -10.285887 24.986065 1 1319 1 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 0 15.708704 -9.389357 24.843721 1 1320 1 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 0 17.683783 -9.670799 25.726864 1 1321 1 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 0 16.000023 -8.282769 25.485153 1 1322 1 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 0 17.199642 -8.41765 26.037338 1 1323 1 +ATOM N N . THR A0 1 174 . 174 THR A0 N 0 14.48548 -14.140627 23.391325 1 1324 1 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 0 14.433906 -15.291697 22.497108 1 1325 1 +ATOM C C . THR A0 1 174 . 174 THR A0 C 0 14.416391 -14.732882 21.073753 1 1326 1 +ATOM O O . THR A0 1 174 . 174 THR A0 O 0 13.466263 -14.066736 20.667887 1 1327 1 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 0 13.199423 -16.163729 22.774517 1 1328 1 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 0 13.315483 -16.712185 24.105143 1 1329 1 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 0 13.129342 -17.318493 21.777983 1 1330 1 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 0 15.500748 -14.982661 20.349098 1 1331 1 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 0 15.691667 -14.386321 19.030952 1 1332 1 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 0 14.857428 -15.0546875 17.939653 1 1333 1 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 0 14.544409 -16.239517 18.029972 1 1334 1 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 0 17.167887 -14.438749 18.638391 1 1335 1 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 0 18.036854 -13.568752 19.488659 1 1336 1 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 0 18.624504 -14.063498 20.648653 1 1337 1 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 0 18.254372 -12.246961 19.13815 1 1338 1 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 0 19.404554 -13.243914 21.44785 1 1339 1 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 0 19.035156 -11.422342 19.931957 1 1340 1 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 0 19.614477 -11.926125 21.091934 1 1341 1 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 0 14.494427 -14.271024 16.896341 1 1342 1 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 0 13.815287 -14.869226 15.741712 1 1343 1 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 0 14.72061 -15.939448 15.133421 1 1344 1 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 0 15.945928 -15.790188 15.112894 1 1345 1 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 0 13.628178 -13.684637 14.785437 1 1346 1 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 0 13.639181 -12.476687 15.673575 1 1347 1 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 0 14.635602 -12.812134 16.745815 1 1348 1 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 0 14.109474 -17.012962 14.655687 1 1349 1 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 0 14.881041 -18.0916 14.04352 1 1350 1 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 0 15.507394 -17.620346 12.735189 1 1351 1 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 0 14.978999 -16.732746 12.06724 1 1352 1 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 0 13.980651 -19.296238 13.789495 1 1353 1 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 0 16.641422 -18.221687 12.375321 1 1354 1 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 0 17.273462 -17.968836 11.091454 1 1355 1 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 0 17.258991 -19.272274 10.298265 1 1356 1 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 0 17.355885 -20.361881 10.867294 1 1357 1 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 0 18.726357 -17.452143 11.228193 1 1358 1 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 0 18.744661 -16.114359 11.963452 1 1359 1 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 0 19.607779 -18.477184 11.916762 1 1360 1 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 0 17.088604 -19.140026 8.975414 1 1361 1 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 0 17.094427 -20.309832 8.099994 1 1362 1 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 0 18.526901 -20.556225 7.6361637 1 1363 1 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 0 19.129227 -19.71096 6.9699 1 1364 1 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 0 16.178774 -20.081593 6.8956356 1 1365 1 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 0 16.0582 -21.255457 5.9203196 1 1366 1 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 0 15.216641 -20.848404 4.7158513 1 1367 1 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 0 15.446089 -22.469055 6.618087 1 1368 1 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 0 19.072823 -21.705185 7.994692 1 1369 1 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 0 20.440346 -22.060299 7.6407576 1 1370 1 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 0 20.49277 -22.608206 6.211718 1 1371 1 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 0 19.468782 -22.965368 5.628863 1 1372 1 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 0 20.98059 -23.101292 8.619829 1 1373 1 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 0 20.964725 -22.637043 10.065434 1 1374 1 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 0 21.253841 -23.754906 11.044683 1 1375 1 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 0 22.333319 -23.817451 11.625271 1 1376 1 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 0 20.292343 -24.654913 11.209862 1 1377 1 +ATOM N N . SER A0 1 181 . 181 SER A0 N 0 21.70364 -22.645882 5.636123 1 1378 1 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 0 21.871988 -23.138752 4.2692394 1 1379 1 +ATOM C C . SER A0 1 181 . 181 SER A0 C 0 21.418716 -24.587448 4.129379 1 1380 1 +ATOM O O . SER A0 1 181 . 181 SER A0 O 0 21.110996 -25.03578 3.0196347 1 1381 1 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 0 23.33794 -23.00356 3.838396 1 1382 1 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 0 24.18317 -23.744244 4.681925 1 1383 1 +ATOM N N . SER A0 1 182 . 182 SER A0 N 0 21.362469 -25.308624 5.237572 1 1384 1 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 0 20.90682 -26.700542 5.252167 1 1385 1 +ATOM C C . SER A0 1 182 . 182 SER A0 C 0 19.39861 -26.809925 5.056634 1 1386 1 +ATOM O O . SER A0 1 182 . 182 SER A0 O 0 18.894176 -27.90461 4.7753954 1 1387 1 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 0 21.298538 -27.364733 6.5717916 1 1388 1 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 0 20.645855 -26.730621 7.65292 1 1389 1 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 0 18.688005 -25.696648 5.2013245 1 1390 1 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 0 17.239357 -25.707884 5.117284 1 1391 1 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 0 16.569275 -25.894665 6.463663 1 1392 1 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 0 15.34094 -25.956472 6.542465 1 1393 1 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 0 17.388893 -25.983372 7.522387 1 1394 1 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 0 16.879154 -26.140484 8.877242 1 1395 1 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 0 16.999783 -24.820147 9.624971 1 1396 1 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 0 17.847637 -23.984507 9.297477 1 1397 1 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 0 17.645823 -27.238789 9.62067 1 1398 1 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 0 17.64901 -28.626286 8.962874 1 1399 1 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 0 18.591284 -29.562359 9.710337 1 1400 1 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 0 16.244701 -29.197153 8.907781 1 1401 1 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 0 16.161942 -24.628405 10.636108 1 1402 1 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 0 16.163864 -23.398254 11.418015 1 1403 1 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 0 17.02641 -23.514948 12.665895 1 1404 1 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 0 17.296078 -24.615383 13.1521225 1 1405 1 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 0 14.734583 -23.021545 11.835436 1 1406 1 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 0 13.839338 -22.628887 10.684825 1 1407 1 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 0 12.986803 -23.551842 10.091814 1 1408 1 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 0 13.838554 -21.331299 10.195398 1 1409 1 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 0 12.16032 -23.195456 9.039734 1 1410 1 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 0 13.012213 -20.958794 9.142103 1 1411 1 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 0 12.172576 -21.901606 8.57235 1 1412 1 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 0 11.357916 -21.541477 7.53856 1 1413 1 +ATOM N N . SER A0 1 186 . 186 SER A0 N 0 17.437172 -22.375116 13.179371 1 1414 1 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 0 18.21317 -22.309757 14.412637 1 1415 1 +ATOM C C . SER A0 1 186 . 186 SER A0 C 0 17.902935 -20.996685 15.116033 1 1416 1 +ATOM O O . SER A0 1 186 . 186 SER A0 O 0 17.725647 -19.964851 14.465311 1 1417 1 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 0 19.71352 -22.407482 14.118668 1 1418 1 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 0 20.48957 -22.346476 15.311822 1 1419 1 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 0 17.855146 -21.027191 16.439957 1 1420 1 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 0 17.6908 -19.806183 17.216843 1 1421 1 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 0 18.367268 -19.95433 18.569286 1 1422 1 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 0 18.704159 -21.062181 18.98488 1 1423 1 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 0 16.216148 -19.424099 17.39476 1 1424 1 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 0 15.265011 -20.272161 18.244137 1 1425 1 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 0 13.815598 -19.884966 17.929256 1 1426 1 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 0 15.515821 -20.137814 19.753277 1 1427 1 +ATOM N N . SER A0 1 188 . 188 SER A0 N 0 18.577826 -18.83342 19.240768 1 1428 1 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 0 19.117725 -18.841354 20.5943 1 1429 1 +ATOM C C . SER A0 1 188 . 188 SER A0 C 0 18.173843 -18.084732 21.511995 1 1430 1 +ATOM O O . SER A0 1 188 . 188 SER A0 O 0 17.47602 -17.157139 21.085495 1 1431 1 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 0 20.501701 -18.18537 20.644245 1 1432 1 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 0 21.488174 -19.027433 20.080755 1 1433 1 +ATOM N N . SER A0 1 189 . 189 SER A0 N 0 18.115772 -18.516329 22.75386 1 1434 1 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 0 17.36596 -17.818 23.792255 1 1435 1 +ATOM C C . SER A0 1 189 . 189 SER A0 C 0 18.363117 -17.529325 24.90488 1 1436 1 +ATOM O O . SER A0 1 189 . 189 SER A0 O 0 19.060188 -18.43644 25.366016 1 1437 1 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 0 16.20582 -18.664627 24.315176 1 1438 1 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 0 15.480591 -17.974285 25.332867 1 1439 1 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 0 18.443321 -16.253414 25.302979 1 1440 1 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 0 19.40131 -15.879866 26.339102 1 1441 1 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 0 18.689123 -15.160423 27.478485 1 1442 1 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 0 17.561565 -14.682972 27.332651 1 1443 1 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 0 20.52519 -14.96566 25.789093 1 1444 1 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 0 21.289276 -15.6771145 24.677376 1 1445 1 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 0 19.95134 -13.642089 25.296892 1 1446 1 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 0 19.365047 -15.113951 28.625772 1 1447 1 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 0 18.828846 -14.400181 29.780514 1 1448 1 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 0 20.004442 -13.853949 30.590652 1 1449 1 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 0 21.055838 -14.497832 30.68349 1 1450 1 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 0 17.927843 -15.317426 30.656881 1 1451 1 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 0 17.308323 -14.528008 31.812288 1 1452 1 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 0 18.695084 -16.520512 31.178637 1 1453 1 +ATOM N N . THR A0 1 192 . 192 THR A0 N 0 19.829088 -12.642232 31.13179 1 1454 1 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 0 20.84473 -12.073471 32.006485 1 1455 1 +ATOM C C . THR A0 1 192 . 192 THR A0 C 0 20.355818 -12.213891 33.444588 1 1456 1 +ATOM O O . THR A0 1 192 . 192 THR A0 O 0 19.178486 -11.957147 33.74684 1 1457 1 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 0 21.132114 -10.587175 31.687008 1 1458 1 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 0 19.898548 -9.869043 31.628231 1 1459 1 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 0 21.86712 -10.460679 30.363403 1 1460 1 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 0 21.25306 -12.63893 34.330368 1 1461 1 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 0 20.92707 -12.902893 35.733757 1 1462 1 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 0 22.041069 -12.363926 36.625614 1 1463 1 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 0 23.14495 -12.077566 36.158295 1 1464 1 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 0 20.748045 -14.420347 36.000298 1 1465 1 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 0 19.622742 -14.998037 35.13697 1 1466 1 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 0 22.059341 -15.154926 35.734367 1 1467 1 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 0 21.75715 -12.203558 37.929104 1 1468 1 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 0 22.830074 -11.780419 38.834854 1 1469 1 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 0 23.926525 -12.845048 38.870804 1 1470 1 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 0 23.629486 -14.037424 38.989807 1 1471 1 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 0 22.130157 -11.648714 40.19239 1 1472 1 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 0 20.683067 -11.447569 39.864994 1 1473 1 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 0 20.464827 -12.279388 38.638474 1 1474 1 +ATOM N N . SER A0 1 195 . 195 SER A0 N 0 25.175186 -12.419916 38.747852 1 1475 1 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 0 26.275234 -13.379048 38.770416 1 1476 1 +ATOM C C . SER A0 1 195 . 195 SER A0 C 0 26.346275 -14.102824 40.111893 1 1477 1 +ATOM O O . SER A0 1 195 . 195 SER A0 O 0 26.830692 -15.234282 40.184444 1 1478 1 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 0 27.602913 -12.676174 38.472717 1 1479 1 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 0 27.853006 -11.6262045 39.384163 1 1480 1 +ATOM N N . SER A0 1 196 . 196 SER A0 N 0 25.834877 -13.47427 41.168957 1 1481 1 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 0 25.84232 -14.088011 42.49345 1 1482 1 +ATOM C C . SER A0 1 196 . 196 SER A0 C 0 24.888897 -15.274731 42.59099 1 1483 1 +ATOM O O . SER A0 1 196 . 196 SER A0 O 0 25.0019 -16.080837 43.517822 1 1484 1 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 0 25.466236 -13.048453 43.561523 1 1485 1 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 0 24.168293 -12.525523 43.331917 1 1486 1 +ATOM N N . SER A0 1 197 . 197 SER A0 N 0 23.95512 -15.389005 41.623928 1 1487 1 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 0 22.995146 -16.489689 41.64393 1 1488 1 +ATOM C C . SER A0 1 197 . 197 SER A0 C 0 23.546518 -17.756823 41.010612 1 1489 1 +ATOM O O . SER A0 1 197 . 197 SER A0 O 0 22.967752 -18.830557 41.185352 1 1490 1 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 0 21.702057 -16.080162 40.938858 1 1491 1 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 0 21.900629 -15.980112 39.542484 1 1492 1 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 0 24.657244 -17.636782 40.269634 1 1493 1 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 0 25.246124 -18.803513 39.62455 1 1494 1 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 0 25.738533 -19.797482 40.684456 1 1495 1 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 0 26.477535 -19.428074 41.597557 1 1496 1 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 0 26.414192 -18.389906 38.718475 1 1497 1 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 0 26.0576 -17.476143 37.54444 1 1498 1 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 0 27.314762 -17.113775 36.77108 1 1499 1 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 0 25.021713 -18.096428 36.646706 1 1500 1 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 0 25.326118 -21.029617 40.5906 1 1501 1 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 0 25.699137 -22.05886 41.542618 1 1502 1 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 0 24.66617 -22.281578 42.62652 1 1503 1 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 0 24.666405 -23.333485 43.273994 1 1504 1 +ATOM N N . THR A0 1 200 . 200 THR A0 N 0 23.761618 -21.303375 42.82679 1 1505 1 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 0 22.716288 -21.448399 43.83303 1 1506 1 +ATOM C C . THR A0 1 200 . 200 THR A0 C 0 21.323734 -21.52633 43.206734 1 1507 1 +ATOM O O . THR A0 1 200 . 200 THR A0 O 0 20.44645 -22.196346 43.738182 1 1508 1 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 0 22.749496 -20.290474 44.847298 1 1509 1 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 0 22.610947 -19.050682 44.157192 1 1510 1 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 0 24.06198 -20.295048 45.624283 1 1511 1 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 0 21.136574 -20.845316 42.081314 1 1512 1 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 0 19.859674 -20.862148 41.372868 1 1513 1 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 0 19.963799 -21.775547 40.15925 1 1514 1 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 0 20.948744 -21.71899 39.41568 1 1515 1 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 0 19.475248 -19.442547 40.942673 1 1516 1 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 0 18.211922 -19.359295 40.084793 1 1517 1 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 0 16.963762 -19.755135 40.842182 1 1518 1 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 0 16.70259 -19.23883 41.92357 1 1519 1 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 0 16.200657 -20.687222 40.290745 1 1520 1 +ATOM N N . THR A0 1 202 . 202 THR A0 N 0 18.94062 -22.590815 39.932785 1 1521 1 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 0 18.898525 -23.487335 38.783657 1 1522 1 +ATOM C C . THR A0 1 202 . 202 THR A0 C 0 18.26312 -22.771759 37.600464 1 1523 1 +ATOM O O . THR A0 1 202 . 202 THR A0 O 0 17.199389 -22.160381 37.73316 1 1524 1 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 0 18.09996 -24.755371 39.112312 1 1525 1 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 0 18.770048 -25.468857 40.16497 1 1526 1 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 0 17.982815 -25.659805 37.88973 1 1527 1 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 0 18.910486 -22.84024 36.42333 1 1528 1 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 0 18.39019 -22.243668 35.210003 1 1529 1 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 0 18.150852 -23.327665 34.165592 1 1530 1 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 0 19.083645 -24.009201 33.750305 1 1531 1 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 0 19.341766 -21.163858 34.67601 1 1532 1 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 0 19.469803 -19.994709 35.62803 1 1533 1 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 0 20.62262 -19.794512 36.377563 1 1534 1 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 0 18.421032 -19.097355 35.77603 1 1535 1 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 0 20.721157 -18.734016 37.257607 1 1536 1 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 0 18.51214 -18.035841 36.654564 1 1537 1 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 0 19.665981 -17.853928 37.396915 1 1538 1 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 0 19.762833 -16.81071 38.269806 1 1539 1 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 0 16.885906 -23.480616 33.7387 1 1540 1 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 0 16.479599 -24.505655 32.78387 1 1541 1 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 0 15.694962 -23.855822 31.647514 1 1542 1 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 0 14.737164 -23.12183 31.892614 1 1543 1 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 0 15.596285 -25.576738 33.46029 1 1544 1 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 0 16.375452 -26.291113 34.575584 1 1545 1 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 0 15.09704 -26.590279 32.422813 1 1546 1 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 0 15.51178 -27.20071 35.446095 1 1547 1 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 0 16.138004 -24.119799 30.37903 1 1548 1 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 0 15.352537 -23.645073 29.244818 1 1549 1 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 0 14.430056 -24.777367 28.820194 1 1550 1 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 0 14.847675 -25.93499 28.71378 1 1551 1 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 0 16.233418 -23.18024 28.081549 1 1552 1 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 0 17.181782 -24.44627 27.254875 1 1553 1 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 0 13.134529 -24.433628 28.628391 1 1554 1 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 0 12.114763 -25.40639 28.24665 1 1555 1 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 0 11.775323 -25.174335 26.780352 1 1556 1 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 0 11.192133 -24.138998 26.427338 1 1557 1 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 0 10.854612 -25.248352 29.112934 1 1558 1 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 0 11.185385 -24.984314 30.563198 1 1559 1 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 0 11.010498 -23.849068 31.049973 1 1560 1 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 0 11.665401 -25.984608 31.268656 1 1561 1 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 0 12.173021 -26.133106 25.937649 1 1562 1 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 0 12.005163 -26.007694 24.495464 1 1563 1 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 0 10.90506 -26.95057 24.012964 1 1564 1 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 0 10.908051 -28.139166 24.342857 1 1565 1 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 0 13.329765 -26.317192 23.757397 1 1566 1 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 0 13.1405735 -26.214386 22.249668 1 1567 1 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 0 14.430855 -25.375803 24.228266 1 1568 1 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 0 9.965066 -26.398071 23.218517 1 1569 1 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 0 8.865141 -27.192457 22.694336 1 1570 1 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 0 8.7582855 -26.985117 21.183403 1 1571 1 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 0 8.622593 -25.84785 20.720312 1 1572 1 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 0 7.547185 -26.808601 23.375881 1 1573 1 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 0 6.416727 -27.759224 23.04757 1 1574 1 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 0 6.6364584 -28.837353 22.493866 1 1575 1 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 0 5.19977 -27.386972 23.401419 1 1576 1 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 0 8.841429 -28.074558 20.43857 1 1577 1 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 0 8.677828 -28.063719 18.98333 1 1578 1 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 0 7.5163813 -28.994522 18.648304 1 1579 1 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 0 7.695987 -30.207405 18.496298 1 1580 1 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 0 9.958057 -28.51663 18.272133 1 1581 1 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 0 9.8759365 -28.432936 16.778227 1 1582 1 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 0 10.092054 -29.518469 15.95592 1 1583 1 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 0 9.628374 -27.383692 15.963357 1 1584 1 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 0 9.958429 -29.134644 14.700376 1 1585 1 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 0 9.679638 -27.841084 14.669377 1 1586 1 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 0 6.3359814 -28.409027 18.586292 1 1587 1 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 0 5.1122775 -29.182459 18.404327 1 1588 1 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 0 5.0713806 -29.991592 17.110182 1 1589 1 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 0 4.5684614 -31.118856 17.120018 1 1590 1 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 0 3.8865147 -28.261753 18.498829 1 1591 1 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 0 3.6580153 -27.705753 19.894262 1 1592 1 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 0 2.3964224 -26.851854 19.953075 1 1593 1 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 0 2.1834974 -26.310726 21.363905 1 1594 1 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 0 0.9659234 -25.466818 21.442 1 1595 1 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 0 5.5760946 -29.459196 15.954971 1 1596 1 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 0 5.514056 -30.248692 14.717974 1 1597 1 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 0 6.1937084 -31.610355 14.82159 1 1598 1 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 0 5.8034897 -32.537697 14.103361 1 1599 1 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 0 6.2185507 -29.351475 13.692702 1 1600 1 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 0 5.9614987 -27.962753 14.192179 1 1601 1 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 0 6.072006 -28.088865 15.692853 1 1602 1 +ATOM N N . SER A0 1 212 . 212 SER A0 N 0 7.211708 -31.75946 15.68597 1 1603 1 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 0 7.9096613 -33.02966 15.849598 1 1604 1 +ATOM C C . SER A0 1 212 . 212 SER A0 C 0 7.6387343 -33.674744 17.200562 1 1605 1 +ATOM O O . SER A0 1 212 . 212 SER A0 O 0 8.234959 -34.705032 17.520315 1 1606 1 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 0 9.423372 -32.83631 15.685259 1 1607 1 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 0 9.960934 -32.057976 16.7425 1 1608 1 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 0 6.739691 -33.08641 17.979477 1 1609 1 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 0 6.4371834 -33.56594 19.33265 1 1610 1 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 0 7.6950383 -33.6764 20.18222 1 1611 1 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 0 7.8676977 -34.63205 20.942875 1 1612 1 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 0 5.7159004 -34.91707 19.293507 1 1613 1 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 0 4.2550764 -34.779068 18.936872 1 1614 1 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 0 3.6172028 -33.782223 19.272429 1 1615 1 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 0 3.7130725 -35.784737 18.261242 1 1616 1 +ATOM N N . THR A0 1 214 . 214 THR A0 N 0 8.598929 -32.697113 20.041607 1 1617 1 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 0 9.848369 -32.679832 20.788633 1 1618 1 +ATOM C C . THR A0 1 214 . 214 THR A0 C 0 9.7658825 -31.685146 21.942135 1 1619 1 +ATOM O O . THR A0 1 214 . 214 THR A0 O 0 9.470022 -30.510437 21.732227 1 1620 1 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 0 11.03635 -32.301105 19.885689 1 1621 1 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 0 11.122179 -33.22422 18.80266 1 1622 1 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 0 12.342138 -32.310913 20.666752 1 1623 1 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 0 10.008935 -32.178337 23.135021 1 1624 1 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 0 10.070707 -31.344881 24.330717 1 1625 1 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 0 11.402336 -31.605434 25.012941 1 1626 1 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 0 11.744751 -32.753815 25.290396 1 1627 1 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 0 8.916922 -31.648144 25.290539 1 1628 1 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 0 7.5540695 -31.253946 24.755787 1 1629 1 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 0 6.4639397 -31.543215 25.784533 1 1630 1 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 0 5.0920362 -31.160215 25.24039 1 1631 1 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 0 4.0171757 -31.45974 26.218998 1 1632 1 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 0 12.14587 -30.531294 25.268726 1 1633 1 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 0 13.4599285 -30.658009 25.891941 1 1634 1 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 0 13.585482 -29.665552 27.041397 1 1635 1 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 0 13.243954 -28.483925 26.883142 1 1636 1 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 0 14.599836 -30.39872 24.877008 1 1637 1 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 0 15.971204 -30.474426 25.569632 1 1638 1 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 0 14.523254 -31.384863 23.72511 1 1639 1 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 0 14.053384 -30.128521 28.168222 1 1640 1 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 0 14.39333 -29.279945 29.304237 1 1641 1 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 0 15.902884 -29.359596 29.471659 1 1642 1 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 0 16.439295 -30.42614 29.761356 1 1643 1 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 0 13.699251 -29.755245 30.588394 1 1644 1 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 0 12.190993 -29.6011 30.516571 1 1645 1 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 0 11.47966 -30.463846 31.075272 1 1646 1 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 0 11.71313 -28.617039 29.915302 1 1647 1 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 0 16.58248 -28.248537 29.244678 1 1648 1 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 0 18.035976 -28.236706 29.319458 1 1649 1 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 0 18.521992 -27.34858 30.447693 1 1650 1 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 0 18.267727 -26.135271 30.456099 1 1651 1 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 0 18.63291 -27.750338 27.990042 1 1652 1 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 0 20.157326 -27.681213 27.963785 1 1653 1 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 0 20.824291 -29.043339 28.105856 1 1654 1 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 0 20.538628 -29.957405 26.941637 1 1655 1 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 0 21.299696 -31.220076 27.065845 1 1656 1 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 0 19.230589 -27.951853 31.387293 1 1657 1 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 0 19.800415 -27.200197 32.500744 1 1658 1 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 0 21.082165 -26.529991 32.027225 1 1659 1 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 0 21.92709 -27.17133 31.390926 1 1660 1 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 0 20.09147 -28.11352 33.691116 1 1661 1 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 0 20.586792 -27.364868 34.924744 1 1662 1 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 0 20.5858 -28.266766 36.134727 1 1663 1 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 0 21.028805 -27.559216 37.340187 1 1664 1 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 0 20.943167 -28.035688 38.559494 1 1665 1 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 0 20.441158 -29.240057 38.77054 1 1666 1 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 0 21.35984 -27.319605 39.593388 1 1667 1 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 0 21.217876 -25.238665 32.31259 1 1668 1 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 0 22.401157 -24.488611 31.901978 1 1669 1 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 0 23.217924 -24.124708 33.135696 1 1670 1 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 0 22.744278 -23.40915 34.00694 1 1671 1 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 0 21.999283 -23.210777 31.126623 1 1672 1 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 0 21.089897 -23.562473 29.924805 1 1673 1 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 0 23.23779 -22.52898 30.552973 1 1674 1 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 0 24.442524 -24.654278 33.19037 1 1675 1 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 0 25.321592 -24.450485 34.334465 1 1676 1 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 0 26.68055 -23.924103 33.876007 1 1677 1 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 0 27.073687 -24.128817 32.724968 1 1678 1 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 0 25.521528 -25.75701 35.10521 1 1679 1 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 0 24.233742 -26.372255 35.6137 1 1680 1 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 0 24.459816 -27.672962 36.3487 1 1681 1 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 0 23.855877 -27.860027 37.422962 1 1682 1 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 0 25.250639 -28.502388 35.86219 1 1683 1 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 0 27.427761 -23.258348 34.787415 1 1684 1 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 0 28.769718 -22.788385 34.43163 1 1685 1 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 0 29.663807 -23.973408 34.078163 1 1686 1 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 0 29.549541 -25.049932 34.677444 1 1687 1 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 0 29.25438 -22.081234 35.708572 1 1688 1 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 0 27.996456 -21.697605 36.430695 1 1689 1 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 0 27.034672 -22.812572 36.133278 1 1690 1 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 0 30.574749 -23.786037 33.107674 1 1691 1 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 0 31.474762 -24.857014 32.702995 1 1692 1 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 0 32.524178 -25.126776 33.786102 1 1693 1 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 0 32.87829 -24.221392 34.54576 1 1694 1 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 0 32.188343 -24.486444 31.395428 1 1695 1 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 0 31.296638 -24.592983 30.170933 1 1696 1 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 0 32.134705 -24.418156 28.900993 1 1697 1 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 0 31.253181 -24.587103 27.671543 1 1698 1 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 0 32.02784 -24.459785 26.438385 1 1699 1 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 0 32.980686 -26.268368 33.912155 1 1700 1 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 0 4.687754 3.8619933 -9.724545 1 1701 1 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 0 5.7479115 3.6594625 -8.745283 1 1702 1 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 0 5.6298404 4.685517 -7.6292686 1 1703 1 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 0 5.381342 5.866645 -7.885626 1 1704 1 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 0 7.113361 3.7455692 -9.434002 1 1705 1 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 0 8.275587 3.4298625 -8.523866 1 1706 1 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 0 9.60737 3.4800131 -9.257925 1 1707 1 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 0 9.8302 4.3647995 -10.073043 1 1708 1 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 0 10.494238 2.5401497 -8.960633 1 1709 1 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 0 5.7972164 4.234025 -6.3821764 1 1710 1 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 0 5.7042255 5.1071453 -5.219263 1 1711 1 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 0 7.007851 5.1109705 -4.440342 1 1712 1 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 0 7.561599 4.0541058 -4.1502495 1 1713 1 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 0 4.5721264 4.6613503 -4.295131 1 1714 1 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 0 3.1436903 4.6816196 -4.849824 1 1715 1 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 0 2.183534 4.1065483 -3.8160865 1 1716 1 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 0 2.7343335 6.0874796 -5.2340727 1 1717 1 +ATOM N N . THR B0 2 3 . 3 THR B0 N 0 7.4818773 6.299358 -4.092085 1 1718 1 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 0 8.67619 6.4534645 -3.2820609 1 1719 1 +ATOM C C . THR B0 2 3 . 3 THR B0 C 0 8.249834 6.9922266 -1.9140667 1 1720 1 +ATOM O O . THR B0 2 3 . 3 THR B0 O 0 7.7381954 8.107388 -1.8212566 1 1721 1 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 0 9.685221 7.4159036 -3.9313517 1 1722 1 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 0 10.059635 6.9149218 -5.2179337 1 1723 1 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 0 10.92628 7.5714693 -3.063852 1 1724 1 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 0 8.439837 6.185149 -0.88025844 1 1725 1 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 0 8.031316 6.537202 0.47007486 1 1726 1 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 0 9.248119 6.9411287 1.2929678 1 1727 1 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 0 10.305712 6.3051395 1.2056563 1 1728 1 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 0 7.3105345 5.346902 1.1056614 1 1729 1 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 0 6.5115185 5.6952477 2.343622 1 1730 1 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 0 5.621524 4.550117 2.7880611 1 1731 1 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 0 5.189015 3.7343621 1.9790877 1 1732 1 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 0 5.3382874 4.4858494 4.086991 1 1733 1 +ATOM N N . SER B0 2 5 . 5 SER B0 N 0 9.119923 8.013977 2.0665753 1 1734 1 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 0 10.240416 8.481018 2.8690114 1 1735 1 +ATOM C C . SER B0 2 5 . 5 SER B0 C 0 9.759272 9.052019 4.201805 1 1736 1 +ATOM O O . SER B0 2 5 . 5 SER B0 O 0 8.660273 9.6064415 4.266474 1 1737 1 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 0 11.049828 9.542116 2.1034994 1 1738 1 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 0 10.267319 10.684397 1.8585377 1 1739 1 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 0 10.551385 8.921856 5.250453 1 1740 1 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 0 11.785574 8.127551 5.2803345 1 1741 1 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 0 11.473317 6.641618 5.396639 1 1742 1 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 0 10.322567 6.2670383 5.642962 1 1743 1 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 0 12.482555 8.644606 6.552531 1 1744 1 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 0 11.350165 8.970897 7.466108 1 1745 1 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 0 10.265963 9.537004 6.571891 1 1746 1 +ATOM N N . SER B0 2 7 . 7 SER B0 N 0 12.48321 5.8034983 5.1824236 1 1747 1 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 0 12.276254 4.3616943 5.322164 1 1748 1 +ATOM C C . SER B0 2 7 . 7 SER B0 C 0 12.048529 3.988814 6.7825923 1 1749 1 +ATOM O O . SER B0 2 7 . 7 SER B0 O 0 11.363159 2.9993792 7.0737686 1 1750 1 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 0 13.469704 3.5924911 4.757643 1 1751 1 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 0 14.661663 3.9091644 5.43147 1 1752 1 +ATOM N N . SER B0 2 8 . 8 SER B0 N 0 12.595608 4.7772436 7.6848345 1 1753 1 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 0 12.386715 4.578425 9.114073 1 1754 1 +ATOM C C . SER B0 2 8 . 8 SER B0 C 0 12.586685 5.8952913 9.8349285 1 1755 1 +ATOM O O . SER B0 2 8 . 8 SER B0 O 0 13.263849 6.796559 9.333927 1 1756 1 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 0 13.337539 3.5135052 9.680622 1 1757 1 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 0 14.682819 3.9313884 9.621159 1 1758 1 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 0 11.975294 6.017379 11.001513 1 1759 1 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 0 12.136462 7.2136936 11.8107605 1 1760 1 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 0 11.918303 6.86123 13.272442 1 1761 1 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 0 11.23002 5.8945837 13.591598 1 1762 1 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 0 11.178671 8.331806 11.366672 1 1763 1 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 0 9.677594 8.107889 11.523407 1 1764 1 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 0 8.910894 8.880993 10.444151 1 1765 1 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 0 9.196907 8.543049 12.92145 1 1766 1 +ATOM N N . SER B0 2 10 . 10 SER B0 N 0 12.526142 7.6451926 14.161631 1 1767 1 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 0 12.36518 7.4703293 15.598476 1 1768 1 +ATOM C C . SER B0 2 10 . 10 SER B0 C 0 11.644892 8.687082 16.153751 1 1769 1 +ATOM O O . SER B0 2 10 . 10 SER B0 O 0 11.952786 9.8240385 15.781651 1 1770 1 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 0 13.722473 7.3013124 16.27856 1 1771 1 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 0 14.4059925 6.1668577 15.7887535 1 1772 1 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 0 10.678028 8.450199 17.014755 1 1773 1 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 0 9.903457 9.543295 17.596577 1 1774 1 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 0 9.446737 9.17023 18.997894 1 1775 1 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 0 9.487404 8.009639 19.389652 1 1776 1 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 0 8.701156 9.874791 16.71825 1 1777 1 +ATOM N N . SER B0 2 12 . 12 SER B0 N 0 9.01387 10.1847925 19.755407 1 1778 1 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 0 8.531456 9.9859705 21.11063 1 1779 1 +ATOM C C . SER B0 2 12 . 12 SER B0 C 0 7.0190225 10.176564 21.16145 1 1780 1 +ATOM O O . SER B0 2 12 . 12 SER B0 O 0 6.43295 10.827961 20.29226 1 1781 1 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 0 9.211918 10.964831 22.073055 1 1782 1 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 0 10.622492 10.817114 22.057926 1 1783 1 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 0 6.3967876 9.603876 22.185795 1 1784 1 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 0 4.9615297 9.769949 22.380325 1 1785 1 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 0 4.6577034 11.266243 22.488049 1 1786 1 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 0 5.3538685 11.99736 23.1864 1 1787 1 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 0 4.4827604 9.030451 23.648438 1 1788 1 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 0 3.0404148 9.39982 23.98343 1 1789 1 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 0 4.6317787 7.526872 23.465979 1 1790 1 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 0 3.6275935 11.715544 21.769238 1 1791 1 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 0 3.258943 13.118425 21.75964 1 1792 1 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 0 3.8213744 13.898821 20.584543 1 1793 1 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 0 3.3649206 15.011246 20.303837 1 1794 1 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 0 4.8206606 13.334705 19.870697 1 1795 1 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 0 5.4341297 14.009015 18.729221 1 1796 1 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 0 4.4876513 14.052349 17.533236 1 1797 1 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 0 3.604436 13.196911 17.384754 1 1798 1 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 0 6.722167 13.296757 18.304165 1 1799 1 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 0 7.901079 13.573202 19.219063 1 1800 1 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 0 7.7562456 14.385677 20.15435 1 1801 1 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 0 8.971465 12.972658 18.98928 1 1802 1 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 0 4.6965046 15.022039 16.660645 1 1803 1 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 0 4.0254054 15.077925 15.364498 1 1804 1 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 0 4.9028435 14.329283 14.373283 1 1805 1 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 0 6.087824 14.641336 14.235004 1 1806 1 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 0 3.8179708 16.530182 14.910084 1 1807 1 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 0 3.2815135 16.634804 13.474021 1 1808 1 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 0 3.1861548 18.07954 13.009661 1 1809 1 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 0 2.1583993 18.818693 13.741524 1 1810 1 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 0 0.90818954 18.973282 13.344344 1 1811 1 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 0 0.054887906 19.634987 14.086472 1 1812 1 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 0 0.52196884 18.446266 12.18391 1 1813 1 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 0 4.3048306 13.359627 13.696871 1 1814 1 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 0 5.0399013 12.533972 12.742031 1 1815 1 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 0 4.480458 12.755969 11.342087 1 1816 1 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 0 3.2592082 12.72941 11.147694 1 1817 1 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 0 4.954588 11.038717 13.12112 1 1818 1 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 0 5.5285525 10.16213 12.015492 1 1819 1 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 0 5.688678 10.790291 14.431208 1 1820 1 +ATOM N N . THR B0 2 18 . 18 THR B0 N 0 5.368988 12.974607 10.359894 1 1821 1 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 0 4.9629087 13.168282 8.97777 1 1822 1 +ATOM C C . THR B0 2 18 . 18 THR B0 C 0 5.698587 12.174134 8.082338 1 1823 1 +ATOM O O . THR B0 2 18 . 18 THR B0 O 0 6.923624 12.080473 8.12606 1 1824 1 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 0 5.2491508 14.605543 8.508572 1 1825 1 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 0 4.5262012 15.532024 9.316544 1 1826 1 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 0 4.847921 14.79331 7.048483 1 1827 1 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 0 4.927723 11.425034 7.2888274 1 1828 1 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 0 5.470661 10.454195 6.3460197 1 1829 1 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 0 5.0829635 10.912218 4.944159 1 1830 1 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 0 3.9449968 11.323326 4.719152 1 1831 1 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 0 4.911538 9.04094 6.626437 1 1832 1 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 0 5.3398957 8.581319 8.025274 1 1833 1 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 0 5.382126 8.049252 5.5628285 1 1834 1 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 0 4.6105 7.339243 8.518517 1 1835 1 +ATOM N N . THR B0 2 20 . 20 THR B0 N 0 6.0281134 10.849585 4.0034275 1 1836 1 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 0 5.8070736 11.331637 2.6483834 1 1837 1 +ATOM C C . THR B0 2 20 . 20 THR B0 C 0 5.753629 10.186558 1.6393623 1 1838 1 +ATOM O O . THR B0 2 20 . 20 THR B0 O 0 6.4747195 9.195269 1.7730068 1 1839 1 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 0 6.9071655 12.327939 2.2341266 1 1840 1 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 0 6.934537 13.4207115 3.155202 1 1841 1 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 0 6.6914635 12.863646 0.8206776 1 1842 1 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 0 4.877535 10.321128 0.642989 1 1843 1 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 0 4.7514067 9.355862 -0.44267815 1 1844 1 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 0 4.725336 10.130014 -1.7572217 1 1845 1 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 0 3.8632622 10.980209 -1.9552581 1 1846 1 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 0 3.472315 8.538794 -0.2817177 1 1847 1 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 0 3.194241 7.2919397 -1.5324569 1 1848 1 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 0 5.691946 9.866426 -2.659456 1 1849 1 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 0 5.7724757 10.55214 -3.9410253 1 1850 1 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 0 5.5247536 9.570255 -5.0774393 1 1851 1 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 0 6.166278 8.525566 -5.165761 1 1852 1 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 0 7.139677 11.220013 -4.1128263 1 1853 1 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 0 7.31036 11.872904 -5.4797673 1 1854 1 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 0 8.499607 12.806124 -5.486844 1 1855 1 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 0 8.240353 13.991158 -4.6783495 1 1856 1 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 0 9.128129 14.959348 -4.4574676 1 1857 1 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 0 10.333039 14.885336 -5.0004845 1 1858 1 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 0 8.810503 15.998016 -3.7055526 1 1859 1 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 0 4.565933 9.913622 -5.941101 1 1860 1 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 0 4.231059 9.090551 -7.0979314 1 1861 1 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 0 5.0674987 9.5232 -8.306727 1 1862 1 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 0 5.3906345 10.698199 -8.457981 1 1863 1 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 0 2.7449424 9.206486 -7.424517 1 1864 1 +ATOM N N . SER B0 2 24 . 24 SER B0 N 0 5.428007 8.566526 -9.170685 1 1865 1 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 0 6.2392178 8.85758 -10.353626 1 1866 1 +ATOM C C . SER B0 2 24 . 24 SER B0 C 0 5.4565477 9.59713 -11.429836 1 1867 1 +ATOM O O . SER B0 2 24 . 24 SER B0 O 0 6.054188 10.14661 -12.359329 1 1868 1 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 0 6.820375 7.5634346 -10.929908 1 1869 1 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 0 5.7985992 6.6656866 -11.315387 1 1870 1 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 0 4.1373854 9.604216 -11.326738 1 1871 1 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 0 3.2741852 10.351519 -12.232506 1 1872 1 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 0 2.0090365 10.76445 -11.488264 1 1873 1 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 0 1.7396884 10.269016 -10.392118 1 1874 1 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 0 2.9190607 9.520447 -13.468047 1 1875 1 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 0 2.1851265 8.22053 -13.16767 1 1876 1 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 0 1.8854439 7.4269247 -14.423636 1 1877 1 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 0 0.73317784 7.13518 -14.7145195 1 1878 1 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 0 2.9199305 7.0979238 -15.18535 1 1879 1 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 0 1.2354555 11.677692 -12.071294 1 1880 1 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 0 0.029599465 12.197651 -11.439882 1 1881 1 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 0 -0.9889408 11.07612 -11.230635 1 1882 1 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 0 -1.4236641 10.446732 -12.188969 1 1883 1 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 0 -0.58318806 13.31023 -12.298662 1 1884 1 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 0 -1.6197627 14.1368265 -11.554363 1 1885 1 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 0 -2.3284256 13.5893345 -10.691582 1 1886 1 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 0 -1.7322855 15.35294 -11.846823 1 1887 1 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 0 -1.3449981 10.816476 -9.967283 1 1888 1 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 0 -2.3284004 9.7800255 -9.64176 1 1889 1 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 0 -3.5977416 10.398563 -9.063807 1 1890 1 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 0 -4.4168134 9.683554 -8.463968 1 1891 1 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 0 -1.762243 8.7290945 -8.662304 1 1892 1 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 0 -1.3709455 9.37399 -7.33692 1 1893 1 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 0 -0.56221783 8.022287 -9.301592 1 1894 1 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 0 -0.99806905 8.3614 -6.2488904 1 1895 1 +ATOM N N . SER B0 2 28 . 28 SER B0 N 0 -3.7817779 11.710895 -9.253011 1 1896 1 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 0 -4.9613194 12.428318 -8.777504 1 1897 1 +ATOM C C . SER B0 2 28 . 28 SER B0 C 0 -5.168968 12.192108 -7.2795134 1 1898 1 +ATOM O O . SER B0 2 28 . 28 SER B0 O 0 -4.287944 12.511047 -6.4835243 1 1899 1 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 0 -6.194821 12.011984 -9.575045 1 1900 1 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 0 -7.3105984 12.815289 -9.252479 1 1901 1 +ATOM N N . SER B0 2 29 . 29 SER B0 N 0 -6.2721653 11.5922985 -6.8842998 1 1902 1 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 0 -6.5508738 11.311537 -5.477418 1 1903 1 +ATOM C C . SER B0 2 29 . 29 SER B0 C 0 -6.575793 9.811886 -5.1780996 1 1904 1 +ATOM O O . SER B0 2 29 . 29 SER B0 O 0 -7.126745 9.385673 -4.155856 1 1905 1 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 0 -7.8939304 11.949272 -5.0768223 1 1906 1 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 0 -8.95573 11.434076 -5.8538527 1 1907 1 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 0 -5.9698157 8.983968 -6.052529 1 1908 1 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 0 -5.987259 7.5304904 -5.9065228 1 1909 1 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 0 -4.870907 7.0477705 -4.9839315 1 1910 1 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 0 -3.9867215 6.2906575 -5.3892584 1 1911 1 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 0 -5.87362 6.865139 -7.2730703 1 1912 1 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 0 -4.909187 7.4731245 -3.7102897 1 1913 1 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 0 -3.8877463 7.088649 -2.7491832 1 1914 1 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 0 -4.518035 6.723284 -1.4102094 1 1915 1 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 0 -5.426114 7.4113073 -0.9376147 1 1916 1 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 0 -2.8639812 8.208626 -2.5402136 1 1917 1 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 0 -1.6291605 7.743007 -1.7446289 1 1918 1 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 0 -1.3773603 8.619091 -0.5432577 1 1919 1 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 0 -0.42218426 7.5766 -2.6139336 1 1920 1 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 0 -4.0192122 5.640654 -0.8121301 1 1921 1 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 0 -4.4823003 5.1827564 0.4941391 1 1922 1 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 0 -3.2816107 4.963174 1.4099851 1 1923 1 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 0 -2.1551354 4.78906 0.9441198 1 1924 1 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 0 -5.28331 3.8851285 0.35737625 1 1925 1 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 0 -3.5376859 4.9704194 2.7218 1 1926 1 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 0 -2.5166764 4.7332954 3.730292 1 1927 1 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 0 -2.9386823 3.5811493 4.6333647 1 1928 1 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 0 -4.1058536 3.4949055 5.0428267 1 1929 1 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 0 -2.287702 5.981633 4.593685 1 1930 1 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 0 -1.6168762 7.1207843 3.894653 1 1931 1 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 0 -2.2190661 8.20211 3.325553 1 1932 1 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 0 -0.20802201 7.309144 3.716576 1 1933 1 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 0 -1.2725317 9.055033 2.811121 1 1934 1 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 0 -0.031590816 8.528646 3.024651 1 1935 1 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 0 0.9182273 6.5587425 4.0687013 1 1936 1 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 0 1.2315208 9.023473 2.68535 1 1937 1 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 0 2.176138 7.0439196 3.7278616 1 1938 1 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 0 2.317917 8.264476 3.0404315 1 1939 1 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 0 -1.9530499 2.7072291 4.9760003 1 1940 1 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 0 -2.193474 1.5468545 5.8257804 1 1941 1 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 0 -1.2045884 1.4995921 6.9801006 1 1942 1 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 0 -0.073699355 1.9760981 6.871139 1 1943 1 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 0 -2.0540905 0.2408269 5.029349 1 1944 1 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 0 -2.978652 0.14517206 3.84514 1 1945 1 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 0 -2.601784 0.6594791 2.607955 1 1946 1 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 0 -4.226145 -0.45051354 3.9518127 1 1947 1 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 0 -3.4463959 0.58769184 1.5149424 1 1948 1 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 0 -5.0807285 -0.530966 2.8631089 1 1949 1 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 0 -4.684745 -0.011311252 1.6480707 1 1950 1 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 0 -5.5216646 -0.07903196 0.5709346 1 1951 1 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 0 -1.641099 0.87262547 8.0638485 1 1952 1 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 0 -0.792923 0.64096797 9.230702 1 1953 1 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 0 -0.6563027 -0.86585736 9.422982 1 1954 1 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 0 -1.6497641 -1.5915685 9.33013 1 1955 1 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 0 -1.4205456 1.2600645 10.48278 1 1956 1 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 0 -0.6393591 1.003933 11.774359 1 1957 1 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 0 -1.4534817 1.3409376 13.010923 1 1958 1 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 0 -2.4113894 0.64545536 13.343236 1 1959 1 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 0 -1.0896599 2.4332638 13.687971 1 1960 1 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 0 0.57824343 -1.3402569 9.653357 1 1961 1 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 0 0.77495813 -2.7642224 9.904758 1 1962 1 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 0 1.6544548 -2.9854863 11.127294 1 1963 1 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 0 2.7265449 -2.3904402 11.238319 1 1964 1 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 0 1.3935218 -3.4687116 8.693729 1 1965 1 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 0 1.4631324 -4.9813194 8.896962 1 1966 1 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 0 2.1004279 -5.7124243 7.736867 1 1967 1 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 0 3.0788155 -5.2506437 7.1546936 1 1968 1 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 0 1.5391908 -6.873345 7.3892117 1 1969 1 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 0 1.1883185 -3.8321257 12.021786 1 1970 1 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 0 1.9421341 -4.2179213 13.20842 1 1971 1 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 0 2.4341002 -5.6488543 13.039448 1 1972 1 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 0 1.8400097 -6.4262333 12.2888565 1 1973 1 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 0 1.0674546 -4.0757813 14.455067 1 1974 1 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 0 0.6636492 -2.6376128 14.728737 1 1975 1 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 0 -0.13579899 -2.5061374 16.011227 1 1976 1 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 0 -0.46826032 -1.0450103 16.264347 1 1977 1 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 0 -1.2443289 -0.8629793 17.511295 1 1978 1 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 0 3.5510113 -6.0172586 13.723712 1 1979 1 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 0 4.1155987 -7.3584805 13.5489645 1 1980 1 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 0 3.0955927 -8.46814 13.770348 1 1981 1 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 0 2.3505445 -8.459342 14.7528305 1 1982 1 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 0 5.2233443 -7.413201 14.604674 1 1983 1 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 0 5.653311 -5.9843516 14.750059 1 1984 1 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 0 4.3734875 -5.19046 14.638336 1 1985 1 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 0 3.0384154 -9.412857 12.822588 1 1986 1 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 0 2.1367073 -10.545729 12.915769 1 1987 1 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 0 0.6867968 -10.243061 12.589324 1 1988 1 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 0 -0.16488 -11.122631 12.72654 1 1989 1 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 0 0.40097767 -9.007809 12.147745 1 1990 1 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 0 -0.97131896 -8.606482 11.844266 1 1991 1 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 0 -1.1219587 -8.200987 10.381731 1 1992 1 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 0 -0.14296784 -7.833365 9.715761 1 1993 1 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 0 -1.3966783 -7.427731 12.73325 1 1994 1 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 0 -1.299537 -7.6833067 14.221548 1 1995 1 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 0 -2.3797379 -8.653471 14.694031 1 1996 1 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 0 -2.3584995 -8.787152 16.215244 1 1997 1 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 0 -3.3832557 -9.726017 16.68699 1 1998 1 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 0 -2.350661 -8.273393 9.88065 1 1999 1 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 0 -2.6479921 -7.803344 8.537363 1 2000 1 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 0 -2.6478567 -6.2777324 8.532591 1 2001 1 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 0 -2.8554423 -5.652424 9.571531 1 2002 1 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 0 -4.0121875 -8.314465 8.088467 1 2003 1 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 0 -2.406104 -5.6596107 7.3753843 1 2004 1 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 0 -2.4752827 -4.1946464 7.30777 1 2005 1 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 0 -3.8792527 -3.7019649 7.6468477 1 2006 1 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 0 -4.867958 -4.4214625 7.4509335 1 2007 1 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 0 -2.1174133 -3.8893085 5.8457823 1 2008 1 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 0 -1.2881441 -5.063608 5.418806 1 2009 1 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 0 -1.9218098 -6.2425923 6.116187 1 2010 1 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 0 -3.9551034 -2.4807591 8.165247 1 2011 1 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 0 -5.222019 -1.8534939 8.529179 1 2012 1 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 0 -5.349022 -0.53426456 7.778022 1 2013 1 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 0 -4.433839 0.2917031 7.8139267 1 2014 1 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 0 -5.2708635 -1.6146824 10.042343 1 2015 1 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 0 -6.452575 -0.7936054 10.517342 1 2016 1 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 0 -6.2957582 -0.44282028 11.988842 1 2017 1 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 0 -7.398158 0.49084637 12.456987 1 2018 1 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 0 -7.2147837 0.8976507 13.873042 1 2019 1 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 0 -6.4813585 -0.33812475 7.0816436 1 2020 1 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 0 -6.7076178 0.8972824 6.3397017 1 2021 1 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 0 -6.8727727 2.0812364 7.290331 1 2022 1 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 0 -7.6435156 2.0173993 8.247913 1 2023 1 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 0 -7.9553914 0.7742524 5.4585977 1 2024 1 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 0 -8.345524 2.0212011 4.6543083 1 2025 1 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 0 -9.727272 1.8329437 4.037517 1 2026 1 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 0 -7.3069324 2.3246686 3.5864801 1 2027 1 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 0 -6.1362343 3.1617332 7.035866 1 2028 1 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 0 -6.233218 4.3775663 7.830509 1 2029 1 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 0 -6.9233236 5.489703 7.046631 1 2030 1 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 0 -7.871369 6.108679 7.5339355 1 2031 1 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 0 -4.8389654 4.8797445 8.239166 1 2032 1 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 0 -3.9646053 3.9738188 9.0999565 1 2033 1 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 0 -2.5792441 4.6117706 9.253364 1 2034 1 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 0 -4.6040144 3.7477431 10.459646 1 2035 1 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 0 -6.4229317 5.751423 5.845911 1 2036 1 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 0 -6.864924 6.859127 5.0001144 1 2037 1 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 0 -7.083529 6.3486013 3.5766673 1 2038 1 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 0 -6.2946353 5.5377226 3.0787206 1 2039 1 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 0 -5.8148212 7.9978657 4.9679217 1 2040 1 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 0 -5.5440245 8.547842 6.367628 1 2041 1 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 0 -6.2165937 9.097507 3.9981446 1 2042 1 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 0 -6.6323442 9.430275 6.9248414 1 2043 1 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 0 -8.155119 6.8130794 2.906213 1 2044 1 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 0 -8.353821 6.513975 1.4982913 1 2045 1 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 0 -8.704456 7.797181 0.75698096 1 2046 1 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 0 -9.095123 8.800121 1.36871 1 2047 1 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 0 -9.443693 5.443942 1.2983046 1 2048 1 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 0 -10.82373 5.8346906 1.7995566 1 2049 1 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 0 -11.216354 5.54483 3.1039937 1 2050 1 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 0 -11.734065 6.4682837 0.96623933 1 2051 1 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 0 -12.477994 5.883527 3.565841 1 2052 1 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 0 -13.00067 6.806542 1.4180708 1 2053 1 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 0 -13.364739 6.5107765 2.7122164 1 2054 1 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 0 -14.616017 6.844352 3.165456 1 2055 1 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 0 -8.526516 7.7896566 -0.57040733 1 2056 1 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 0 -8.78236 8.960469 -1.4103779 1 2057 1 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 0 -8.074492 10.1988125 -0.8520991 1 2058 1 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 0 -8.641325 11.279356 -0.75808364 1 2059 1 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 0 -10.286383 9.212513 -1.5563662 1 2060 1 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 0 -10.993826 8.124796 -2.3441687 1 2061 1 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 0 -10.306421 7.269148 -2.9494412 1 2062 1 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 0 -12.237986 8.116821 -2.353594 1 2063 1 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 0 -6.794845 10.004108 -0.46425164 1 2064 1 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 0 -5.8748426 11.030073 0.023071289 1 2065 1 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 0 -6.1462755 11.489817 1.4615784 1 2066 1 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 0 -5.2460785 11.436972 2.294676 1 2067 1 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 0 -5.809993 12.273806 -0.90228426 1 2068 1 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 0 -4.822213 13.3008175 -0.369568 1 2069 1 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 0 -5.4280148 11.850405 -2.3237715 1 2070 1 +ATOM N N . SER B0 2 50 . 50 SER B0 N 0 -7.3974133 11.899313 1.7511868 1 2071 1 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 0 -7.6659117 12.516847 3.045562 1 2072 1 +ATOM C C . SER B0 2 50 . 50 SER B0 C 0 -8.878702 11.978051 3.7989051 1 2073 1 +ATOM O O . SER B0 2 50 . 50 SER B0 O 0 -9.1949005 12.490566 4.876833 1 2074 1 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 0 -7.821089 14.0375805 2.8754408 1 2075 1 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 0 -8.921891 14.338813 2.0288057 1 2076 1 +ATOM N N . SER B0 2 51 . 51 SER B0 N 0 -9.571583 10.956518 3.2569642 1 2077 1 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 0 -10.764484 10.431683 3.9177408 1 2078 1 +ATOM C C . SER B0 2 51 . 51 SER B0 C 0 -10.364578 9.450638 5.022398 1 2079 1 +ATOM O O . SER B0 2 51 . 51 SER B0 O 0 -9.716164 8.438683 4.7609777 1 2080 1 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 0 -11.679403 9.748136 2.9087822 1 2081 1 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 0 -12.163538 10.672534 1.9464092 1 2082 1 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 0 -10.765032 9.751329 6.263854 1 2083 1 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 0 -10.436709 8.917053 7.4140725 1 2084 1 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 0 -11.387928 7.72543 7.4778976 1 2085 1 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 0 -12.606262 7.9002175 7.471504 1 2086 1 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 0 -10.539644 9.74037 8.700099 1 2087 1 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 0 -9.965591 9.134693 9.982357 1 2088 1 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 0 -10.377395 9.958536 11.189314 1 2089 1 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 0 -8.450739 9.019007 9.884993 1 2090 1 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 0 -10.820591 6.5104446 7.523844 1 2091 1 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 0 -11.649138 5.309369 7.6137533 1 2092 1 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 0 -12.381943 5.280013 8.948186 1 2093 1 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 0 -11.8603 5.733164 9.974943 1 2094 1 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 0 -10.776886 4.0558224 7.4571977 1 2095 1 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 0 -11.513905 2.730851 7.67618 1 2096 1 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 0 -12.498505 2.3608263 6.5921836 1 2097 1 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 0 -13.034477 3.25571 5.8943615 1 2098 1 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 0 -12.764694 1.1586684 6.422018 1 2099 1 +ATOM N N . SER B0 2 54 . 54 SER B0 N 0 -13.595559 4.7513723 8.953226 1 2100 1 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 0 -14.414654 4.6641846 10.161414 1 2101 1 +ATOM C C . SER B0 2 54 . 54 SER B0 C 0 -13.657639 3.9271717 11.268856 1 2102 1 +ATOM O O . SER B0 2 54 . 54 SER B0 O 0 -13.077251 2.8654256 11.037093 1 2103 1 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 0 -15.727184 3.9446242 9.84661 1 2104 1 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 0 -16.535292 3.8184364 10.996916 1 2105 1 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 0 -13.675118 4.4938354 12.467178 1 2106 1 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 0 -13.022079 3.8890705 13.611376 1 2107 1 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 0 -11.573694 4.2887096 13.813526 1 2108 1 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 0 -10.9922905 3.9789915 14.858839 1 2109 1 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 0 -10.9730625 4.962711 12.826563 1 2110 1 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 0 -9.581997 5.3889885 12.938763 1 2111 1 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 0 -9.5201435 6.7085934 13.715519 1 2112 1 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 0 -10.3013935 7.6238284 13.442418 1 2113 1 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 0 -8.939895 5.5584445 11.547979 1 2114 1 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 0 -7.525046 6.105254 11.666338 1 2115 1 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 0 -8.940001 4.2175646 10.809181 1 2116 1 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 0 -8.607149 6.822378 14.714685 1 2117 1 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 0 -8.513098 8.047699 15.520851 1 2118 1 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 0 -8.244478 9.288727 14.668062 1 2119 1 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 0 -7.5283203 9.227175 13.663883 1 2120 1 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 0 -7.339787 7.7605042 16.468052 1 2121 1 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 0 -7.3091097 6.2704177 16.57537 1 2122 1 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 0 -7.678546 5.7843466 15.196686 1 2123 1 +ATOM N N . SER B0 2 58 . 58 SER B0 N 0 -8.800589 10.425353 15.098254 1 2124 1 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 0 -8.688833 11.674425 14.357806 1 2125 1 +ATOM C C . SER B0 2 58 . 58 SER B0 C 0 -7.2803364 12.263792 14.330207 1 2126 1 +ATOM O O . SER B0 2 58 . 58 SER B0 O 0 -7.0283017 13.221201 13.5871525 1 2127 1 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 0 -9.663769 12.716672 14.926037 1 2128 1 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 0 -9.386733 12.982993 16.286127 1 2129 1 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 0 -6.344178 11.7100525 15.126288 1 2130 1 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 0 -4.9748106 12.204458 15.080612 1 2131 1 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 0 -4.286731 11.839297 13.772795 1 2132 1 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 0 -3.237638 12.410469 13.448754 1 2133 1 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 0 -4.158148 11.711388 16.278164 1 2134 1 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 0 -3.9579601 10.211428 16.322615 1 2135 1 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 0 -3.1812706 9.833479 17.585024 1 2136 1 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 0 -3.0683782 8.376169 17.752502 1 2137 1 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 0 -3.998746 7.634 18.34656 1 2138 1 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 0 -5.119529 8.18993 18.818703 1 2139 1 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 0 -3.8160348 6.339297 18.447613 1 2140 1 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 0 -4.8735228 10.893192 12.992816 1 2141 1 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 0 -4.3543186 10.537388 11.676328 1 2142 1 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 0 -5.012122 11.424628 10.617947 1 2143 1 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 0 -6.2295623 11.606305 10.6256695 1 2144 1 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 0 -4.656497 9.073269 11.352377 1 2145 1 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 0 -3.8899193 8.089384 12.183956 1 2146 1 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 0 -4.4484944 7.562953 13.342728 1 2147 1 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 0 -2.6184707 7.685423 11.813431 1 2148 1 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 0 -3.7454119 6.648672 14.114411 1 2149 1 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 0 -1.9122155 6.7687984 12.58164 1 2150 1 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 0 -2.4776387 6.247513 13.730955 1 2151 1 +ATOM N N . SER B0 2 61 . 61 SER B0 N 0 -4.210807 11.957266 9.710262 1 2152 1 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 0 -4.7483563 12.760569 8.619158 1 2153 1 +ATOM C C . SER B0 2 61 . 61 SER B0 C 0 -3.8662188 12.612188 7.3831034 1 2154 1 +ATOM O O . SER B0 2 61 . 61 SER B0 O 0 -2.6720607 12.335472 7.494336 1 2155 1 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 0 -4.8642306 14.240133 9.004556 1 2156 1 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 0 -3.5901785 14.811925 9.2302 1 2157 1 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 0 -4.4717226 12.744507 6.214451 1 2158 1 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 0 -3.7450285 12.664907 4.9591923 1 2159 1 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 0 -3.9659715 13.918575 4.1325617 1 2160 1 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 0 -5.014306 14.562399 4.229792 1 2161 1 +ATOM N N . SER B0 2 63 . 63 SER B0 N 0 -2.9820266 14.270569 3.318489 1 2162 1 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 0 -3.0880709 15.442074 2.461079 1 2163 1 +ATOM C C . SER B0 2 63 . 63 SER B0 C 0 -2.235332 15.240974 1.2133757 1 2164 1 +ATOM O O . SER B0 2 63 . 63 SER B0 O 0 -1.4508822 14.293906 1.1340659 1 2165 1 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 0 -2.6577895 16.714813 3.195215 1 2166 1 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 0 -1.2891222 16.667656 3.5361676 1 2167 1 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 0 -2.4065633 16.145262 0.24628069 1 2168 1 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 0 -1.6249759 16.087841 -0.97381794 1 2169 1 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 0 -2.5003333 15.963863 -2.2055705 1 2170 1 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 0 -3.714172 15.795285 -2.114668 1 2171 1 +ATOM N N . SER B0 2 65 . 65 SER B0 N 0 -1.8708994 16.054304 -3.365838 1 2172 1 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 0 -2.5541468 15.903081 -4.641923 1 2173 1 +ATOM C C . SER B0 2 65 . 65 SER B0 C 0 -1.5250819 15.655411 -5.7319098 1 2174 1 +ATOM O O . SER B0 2 65 . 65 SER B0 O 0 -0.35345483 15.994896 -5.581603 1 2175 1 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 0 -3.3859181 17.147316 -4.986354 1 2176 1 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 0 -2.5507085 18.276913 -5.1931067 1 2177 1 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 0 -1.9747626 15.031488 -6.830964 1 2178 1 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 0 -1.0980465 14.824851 -7.96854 1 2179 1 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 0 -0.023167787 13.784545 -7.727124 1 2180 1 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 0 -0.25208133 12.588162 -7.9257956 1 2181 1 +ATOM N N . THR B0 2 67 . 67 THR B0 N 0 1.1561528 14.230465 -7.285864 1 2182 1 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 0 2.28407 13.336647 -7.081359 1 2183 1 +ATOM C C . THR B0 2 67 . 67 THR B0 C 0 2.8298087 13.325141 -5.657713 1 2184 1 +ATOM O O . THR B0 2 67 . 67 THR B0 O 0 3.573289 12.405195 -5.3017187 1 2185 1 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 0 3.445747 13.6713085 -8.037226 1 2186 1 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 0 3.8780036 15.0142975 -7.8120203 1 2187 1 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 0 3.0313625 13.51339 -9.496595 1 2188 1 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 0 2.4982734 14.329315 -4.8357086 1 2189 1 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 0 3.060655 14.440286 -3.4988277 1 2190 1 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 0 1.9882406 14.308797 -2.418189 1 2191 1 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 0 1.0247259 15.068821 -2.4032931 1 2192 1 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 0 3.806068 15.778222 -3.3360035 1 2193 1 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 0 5.0264425 15.875385 -4.2391853 1 2194 1 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 0 5.2368326 16.955425 -4.833223 1 2195 1 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 0 5.765414 14.875473 -4.3579755 1 2196 1 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 0 2.1818695 13.339579 -1.5248514 1 2197 1 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 0 1.1972284 13.04692 -0.48431304 1 2198 1 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 0 1.873992 12.884401 0.87168944 1 2199 1 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 0 3.0374742 12.497286 0.94851756 1 2200 1 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 0 0.4198531 11.768686 -0.83616954 1 2201 1 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 0 -0.22340935 11.822908 -2.1873326 1 2202 1 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 0 0.4700983 11.414561 -3.3227558 1 2203 1 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 0 -1.515988 12.310516 -2.3345203 1 2204 1 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 0 -0.11352801 11.492112 -4.575392 1 2205 1 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 0 -2.1043344 12.389739 -3.5849943 1 2206 1 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 0 -1.4008931 11.974739 -4.7098284 1 2207 1 +ATOM N N . THR B0 2 70 . 70 THR B0 N 0 1.118998 13.175148 1.9445372 1 2208 1 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 0 1.6607242 13.029078 3.2836256 1 2209 1 +ATOM C C . THR B0 2 70 . 70 THR B0 C 0 0.6378486 12.397819 4.224891 1 2210 1 +ATOM O O . THR B0 2 70 . 70 THR B0 O 0 -0.56925917 12.623132 4.0888553 1 2211 1 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 0 2.11412 14.373058 3.8926888 1 2212 1 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 0 0.98761094 15.245608 4.007763 1 2213 1 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 0 3.1956992 15.030641 3.0567763 1 2214 1 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 0 1.1445107 11.597981 5.160132 1 2215 1 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 0 0.36470407 11.072239 6.2729993 1 2216 1 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 0 0.90675414 11.748119 7.519307 1 2217 1 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 0 2.1242387 11.777292 7.7285585 1 2218 1 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 0 0.52200496 9.555096 6.4056516 1 2219 1 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 0 -0.13367194 8.923523 7.6507444 1 2220 1 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 0 0.365142 7.499257 7.8534975 1 2221 1 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 0 -1.6492715 8.96047 7.5512505 1 2222 1 +ATOM N N . THR B0 2 72 . 72 THR B0 N 0 0.019577619 12.31876 8.329321 1 2223 1 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 0 0.4416266 12.997721 9.543762 1 2224 1 +ATOM C C . THR B0 2 72 . 72 THR B0 C 0 -0.23800936 12.37752 10.765266 1 2225 1 +ATOM O O . THR B0 2 72 . 72 THR B0 O 0 -1.4406422 12.117351 10.743703 1 2226 1 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 0 0.107649796 14.505255 9.488728 1 2227 1 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 0 0.80216837 15.107228 8.39566 1 2228 1 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 0 0.51070714 15.207919 10.781923 1 2229 1 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 0 0.55343556 12.10488 11.797645 1 2230 1 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 0 0.023875529 11.6998825 13.096616 1 2231 1 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 0 0.31442285 12.889195 14.005855 1 2232 1 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 0 1.4764802 13.163887 14.31702 1 2233 1 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 0 0.704227 10.420212 13.6367035 1 2234 1 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 0 0.7321725 9.3329315 12.555468 1 2235 1 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 0 -0.028777447 9.930897 14.880861 1 2236 1 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 0 1.4969475 8.07056 12.961924 1 2237 1 +ATOM N N . SER B0 2 74 . 74 SER B0 N 0 -0.7339071 13.615189 14.393362 1 2238 1 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 0 -0.56936884 14.871691 15.123011 1 2239 1 +ATOM C C . SER B0 2 74 . 74 SER B0 C 0 0.04429543 14.712355 16.508562 1 2240 1 +ATOM O O . SER B0 2 74 . 74 SER B0 O 0 0.78543115 15.595257 16.959259 1 2241 1 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 0 -1.917847 15.586031 15.2433405 1 2242 1 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 0 -2.824154 14.809809 16.005293 1 2243 1 +ATOM N N . SER B0 2 75 . 75 SER B0 N 0 -0.24681965 13.618468 17.190557 1 2244 1 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 0 0.27941364 13.362586 18.533482 1 2245 1 +ATOM C C . SER B0 2 75 . 75 SER B0 C 0 0.4589521 11.85354 18.69418 1 2246 1 +ATOM O O . SER B0 2 75 . 75 SER B0 O 0 -0.49616528 11.136396 19.002134 1 2247 1 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 0 -0.6647898 13.918966 19.601929 1 2248 1 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 0 -0.11674032 13.745642 20.912277 1 2249 1 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 0 1.6872013 11.388777 18.469084 1 2250 1 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 0 1.9829364 9.956303 18.46264 1 2251 1 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 0 1.6210496 9.289217 19.785707 1 2252 1 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 0 1.948111 9.802542 20.862984 1 2253 1 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 0 3.4709928 9.747587 18.156252 1 2254 1 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 0 3.9017735 8.376757 17.646544 1 2255 1 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 0 5.4191504 8.3097315 17.617962 1 2256 1 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 0 3.3244777 8.120363 16.258999 1 2257 1 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 0 0.93317145 8.150625 19.687916 1 2258 1 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 0 0.5406692 7.3722687 20.852669 1 2259 1 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 0 1.3188093 6.0574417 20.86927 1 2260 1 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 0 1.8494587 5.628518 19.833565 1 2261 1 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 0 -0.9661163 7.096782 20.82477 1 2262 1 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 0 -1.8236749 8.358314 20.857374 1 2263 1 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 0 -1.5590687 9.200865 22.095814 1 2264 1 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 0 -1.6867354 8.724045 23.21683 1 2265 1 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 0 -1.1701444 10.447438 21.89154 1 2266 1 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 0 1.410969 5.388383 22.047024 1 2267 1 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 0 2.174039 4.1351585 22.129486 1 2268 1 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 0 1.7357076 3.086059 21.113525 1 2269 1 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 0 2.5776355 2.360815 20.576118 1 2270 1 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 0 1.908931 3.668573 23.566166 1 2271 1 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 0 1.6934925 4.9338713 24.32526 1 2272 1 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 0 0.91693115 5.8076406 23.371508 1 2273 1 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 0 0.42952693 3.0132098 20.805897 1 2274 1 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 0 -0.0714952 2.01881 19.870975 1 2275 1 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 0 0.18182689 2.3799229 18.406227 1 2276 1 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 0 -0.14821573 1.6000067 17.51414 1 2277 1 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 0 -1.5823827 1.7928408 20.090721 1 2278 1 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 0 -2.4515166 3.0331125 19.84177 1 2279 1 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 0 -2.7218764 3.8282413 21.1004 1 2280 1 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 0 -1.851213 3.859767 22.011425 1 2281 1 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 0 -3.8109024 4.4337106 21.198936 1 2282 1 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 0 0.7691129 3.5526066 18.13766 1 2283 1 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 0 1.0312417 3.9960992 16.77522 1 2284 1 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 0 2.398855 3.5664964 16.246376 1 2285 1 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 0 2.6974058 3.8104975 15.073428 1 2286 1 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 0 0.92109615 5.5277343 16.674126 1 2287 1 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 0 -0.4536385 6.0399284 17.046911 1 2288 1 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 0 -1.427309 5.247993 16.971903 1 2289 1 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 0 -0.5661254 7.2243 17.417564 1 2290 1 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 0 3.235554 2.946935 17.074547 1 2291 1 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 0 4.528002 2.468948 16.60912 1 2292 1 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 0 4.2998247 1.209569 15.778784 1 2293 1 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 0 3.848297 0.1961139 16.284973 1 2294 1 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 0 5.4716077 2.227632 17.788006 1 2295 1 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 0 5.857741 3.5115242 18.475681 1 2296 1 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 0 5.2208104 3.9055853 19.646524 1 2297 1 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 0 6.8338656 4.3310847 17.930347 1 2298 1 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 0 5.5512853 5.1022425 20.259617 1 2299 1 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 0 7.1680346 5.528569 18.544525 1 2300 1 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 0 6.5306616 5.917162 19.712633 1 2301 1 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 0 4.5818453 1.3377578 14.474623 1 2302 1 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 0 4.2361975 0.31800857 13.486983 1 2303 1 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 0 4.8909883 0.6990052 12.165528 1 2304 1 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 0 5.6430473 1.667767 12.097025 1 2305 1 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 0 2.7173245 0.23382048 13.322407 1 2306 1 +ATOM N N . THR B0 2 83 . 83 THR B0 N 0 4.592867 -0.08232176 11.11463 1 2307 1 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 0 5.061487 0.2492778 9.774452 1 2308 1 +ATOM C C . THR B0 2 83 . 83 THR B0 C 0 3.8771434 0.787264 8.971696 1 2309 1 +ATOM O O . THR B0 2 83 . 83 THR B0 O 0 2.774519 0.23359391 9.032925 1 2310 1 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 0 5.667409 -0.984269 9.075638 1 2311 1 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 0 6.786538 -1.4565879 9.84973 1 2312 1 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 0 6.15798 -0.64664614 7.6650095 1 2313 1 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 0 4.0989394 1.8761711 8.234996 1 2314 1 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 0 3.0530148 2.5260234 7.458246 1 2315 1 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 0 3.359396 2.438551 5.9636865 1 2316 1 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 0 4.506871 2.6312842 5.551381 1 2317 1 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 0 2.8984394 3.992581 7.8895717 1 2318 1 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 0 2.4181418 4.1220098 9.314196 1 2319 1 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 0 3.3089564 4.0427074 10.381678 1 2320 1 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 0 1.0644035 4.2784534 9.597517 1 2321 1 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 0 2.8647895 4.114864 11.694436 1 2322 1 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 0 0.61190677 4.3586674 10.902643 1 2323 1 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 0 1.5141165 4.275013 11.9475 1 2324 1 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 0 1.0729362 4.3368855 13.246017 1 2325 1 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 0 2.320476 2.1230578 5.1711283 1 2326 1 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 0 2.4598207 1.983412 3.725223 1 2327 1 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 0 1.4647999 2.873602 2.9853544 1 2328 1 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 0 0.30679253 2.9876323 3.3955417 1 2329 1 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 0 2.1897686 0.5372964 3.2894664 1 2330 1 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 0 3.1824193 -0.48626456 3.7787032 1 2331 1 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 0 2.9444447 -1.2064815 4.9490004 1 2332 1 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 0 4.343856 -0.7552255 3.0675862 1 2333 1 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 0 3.850072 -2.154972 5.392345 1 2334 1 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 0 5.2513313 -1.7055835 3.510901 1 2335 1 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 0 4.998938 -2.40268 4.6699305 1 2336 1 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 0 5.890313 -3.3389254 5.1094956 1 2337 1 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 0 1.9186227 3.4884434 1.8961729 1 2338 1 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 0 1.0001247 4.163891 0.98064303 1 2339 1 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 0 0.71846926 3.208182 -0.17017812 1 2340 1 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 0 1.4750085 2.2569199 -0.4042543 1 2341 1 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 0 1.5809131 5.485614 0.45909947 1 2342 1 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 0 3.1590068 5.372153 -0.3763703 1 2343 1 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 0 -0.39747456 3.411351 -0.867877 1 2344 1 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 0 -0.80547047 2.530847 -1.9610252 1 2345 1 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 0 -1.5601705 3.3254976 -3.019586 1 2346 1 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 0 -2.4059825 4.150303 -2.6838093 1 2347 1 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 0 -1.6906662 1.3975075 -1.4390087 1 2348 1 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 0 -2.2939346 0.5098258 -2.5331802 1 2349 1 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 0 -3.7868798 0.7283985 -2.7064934 1 2350 1 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 0 -4.557093 0.57315624 -1.762282 1 2351 1 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 0 -4.2038774 1.116746 -3.9092402 1 2352 1 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 0 -1.2162626 3.0727131 -4.292898 1 2353 1 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 0 -1.9313225 3.7035131 -5.396799 1 2354 1 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 0 -2.61203 2.63431 -6.2424254 1 2355 1 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 0 -2.1635857 1.4884942 -6.292589 1 2356 1 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 0 -0.9884818 4.523176 -6.287524 1 2357 1 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 0 -0.03253433 3.674408 -7.132799 1 2358 1 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 0 0.71637005 4.479924 -8.181712 1 2359 1 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 0 0.22880003 5.4938703 -8.674385 1 2360 1 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 0 1.9216278 4.0218525 -8.5212555 1 2361 1 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 0 -3.7073576 3.013353 -6.902083 1 2362 1 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 0 -4.4016323 2.1759262 -7.872817 1 2363 1 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 0 -4.475397 2.9772143 -9.170558 1 2364 1 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 0 -4.9069586 4.1330295 -9.149599 1 2365 1 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 0 -5.8160787 1.8315377 -7.3879356 1 2366 1 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 0 -6.667417 1.1601832 -8.421263 1 2367 1 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 0 -7.8299503 1.7607175 -8.880501 1 2368 1 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 0 -6.30911 -0.073230736 -8.929218 1 2369 1 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 0 -8.619458 1.1405706 -9.832847 1 2370 1 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 0 -7.093353 -0.7004882 -9.883421 1 2371 1 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 0 -8.252411 -0.09310195 -10.34041 1 2372 1 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 0 -4.024229 2.4009242 -10.282175 1 2373 1 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 0 -3.956222 3.1487532 -11.536236 1 2374 1 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 0 -4.6211867 2.4305754 -12.712774 1 2375 1 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 0 -4.0388055 2.3133223 -13.798395 1 2376 1 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 0 -2.5044205 3.4953487 -11.876585 1 2377 1 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 0 -2.4069912 4.618017 -12.895397 1 2378 1 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 0 -3.28105 5.4750123 -12.97123 1 2379 1 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 0 -1.3288455 4.63295 -13.664307 1 2380 1 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 0 -5.8515263 1.9810547 -12.535574 1 2381 1 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 0 -6.690366 1.572746 -13.6391115 1 2382 1 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 0 -6.432205 0.25143233 -14.334656 1 2383 1 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 0 -5.877556 -0.6778158 -13.752565 1 2384 1 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 0 -6.8384066 0.20135728 -15.624521 1 2385 1 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 0 -6.788356 -1.0226243 -16.418839 1 2386 1 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 0 -5.6450777 -0.9937844 -17.41843 1 2387 1 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 0 -5.477676 0.01142185 -18.122425 1 2388 1 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 0 -8.12565 -1.2083836 -17.157887 1 2389 1 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 0 -8.202835 -2.4800684 -17.954481 1 2390 1 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 0 -7.6205378 -2.5821815 -19.210478 1 2391 1 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 0 -8.850292 -3.6087046 -17.441021 1 2392 1 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 0 -7.6737595 -3.7576962 -19.934563 1 2393 1 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 0 -8.915433 -4.7873654 -18.162458 1 2394 1 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 0 -8.325414 -4.858543 -19.406818 1 2395 1 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 0 -8.371482 -6.0223227 -20.121943 1 2396 1 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 0 -4.8831396 -2.1047132 -17.601551 1 2397 1 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 0 -4.922025 -3.2530055 -16.69559 1 2398 1 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 0 -4.5090685 -2.8320699 -15.297514 1 2399 1 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 0 -3.707652 -1.9033779 -15.136921 1 2400 1 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 0 -3.9063787 -4.2181253 -17.321495 1 2401 1 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 0 -2.9639347 -3.3201585 -18.042437 1 2402 1 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 0 -3.8162062 -2.192659 -18.574099 1 2403 1 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 0 -5.0962477 -3.471339 -14.285695 1 2404 1 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 0 -4.8618755 -3.0604248 -12.901199 1 2405 1 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 0 -3.3761766 -2.8932939 -12.598846 1 2406 1 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 0 -2.5613685 -3.7629883 -12.917252 1 2407 1 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 0 -5.470897 -4.074539 -11.927952 1 2408 1 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 0 -6.9425087 -3.9006498 -11.731089 1 2409 1 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 0 -7.8557005 -4.1278033 -12.746947 1 2410 1 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 0 -7.668565 -3.5235205 -10.655983 1 2411 1 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 0 -9.080601 -3.891777 -12.279789 1 2412 1 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 0 -8.992812 -3.524771 -11.0274105 1 2413 1 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 0 -3.0464144 -1.7717695 -12.016231 1 2414 1 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 0 -1.6919672 -1.4673434 -11.5919895 1 2415 1 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 0 -1.7408195 -0.8828412 -10.190765 1 2416 1 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 0 -1.9195666 0.31679243 -10.002037 1 2417 1 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 0 -1.0185102 -0.48384756 -12.555141 1 2418 1 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 0 -0.7190332 -1.0616008 -13.945278 1 2419 1 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 0 0.4497683 -2.0310931 -13.8974085 1 2420 1 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 0 0.83912456 -2.4973614 -15.224167 1 2421 1 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 0 0.3113442 -3.5459657 -15.834927 1 2422 1 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 0 -0.6619176 -4.2483397 -15.244089 1 2423 1 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 0 0.72362196 -3.89609 -17.026371 1 2424 1 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 0 -1.6189983 -1.7656562 -9.201236 1 2425 1 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 0 -1.5720816 -1.3402526 -7.8052244 1 2426 1 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 0 -0.13328263 -1.4474483 -7.33066 1 2427 1 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 0 0.5554299 -2.434997 -7.623274 1 2428 1 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 0 -2.44564 -2.237853 -6.9273815 1 2429 1 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 0 -3.9609857 -2.0667439 -6.9472914 1 2430 1 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 0 -4.553935 -2.7941775 -8.128632 1 2431 1 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 0 -4.5513906 -2.5817323 -5.6514096 1 2432 1 +ATOM N N . THR B0 2 97 . 97 THR B0 N 0 0.3207925 -0.4467031 -6.623034 1 2433 1 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 0 1.6563605 -0.49759486 -6.047645 1 2434 1 +ATOM C C . THR B0 2 97 . 97 THR B0 C 0 1.6335056 0.059801444 -4.625966 1 2435 1 +ATOM O O . THR B0 2 97 . 97 THR B0 O 0 0.8724175 0.98902404 -4.328562 1 2436 1 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 0 2.6982574 0.29237118 -6.8740997 1 2437 1 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 0 2.254498 1.6382551 -7.062683 1 2438 1 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 0 2.9362216 -0.36632162 -8.227951 1 2439 1 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 0 2.4542851 -0.5417744 -3.7776217 1 2440 1 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 0 2.637213 -0.06035195 -2.4142094 1 2441 1 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 0 3.979648 0.6418072 -2.3162754 1 2442 1 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 0 4.9235134 0.29863435 -3.037861 1 2443 1 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 0 2.6204522 -1.226916 -1.4168026 1 2444 1 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 0 1.2913355 -1.8850007 -1.2483295 1 2445 1 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 0 0.9647654 -3.0112295 -1.9877006 1 2446 1 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 0 0.37192667 -1.392554 -0.3364528 1 2447 1 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 0 -0.26771188 -3.626788 -1.8236958 1 2448 1 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 0 -0.8585855 -2.0050132 -0.16926527 1 2449 1 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 0 -1.1745512 -3.1261926 -0.9118217 1 2450 1 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 0 4.0590143 1.6180893 -1.4198934 1 2451 1 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 0 5.3421173 2.22645 -1.1273749 1 2452 1 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 0 6.190326 1.2355968 -0.34842908 1 2453 1 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 0 5.71475 0.19175214 0.10039574 1 2454 1 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 0 7.4579306 1.5441735 -0.17072824 1 2455 1 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 0 8.38218 0.65998024 0.5251583 1 2456 1 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 0 8.165473 0.55586004 2.0131645 1 2457 1 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 0 8.733014 -0.3287879 2.6595821 1 2458 1 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 0 7.3424406 1.4280102 2.5730066 1 2459 1 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 0 7.04181 1.396574 3.9962893 1 2460 1 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 0 7.9064627 2.334578 4.819504 1 2461 1 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 0 9.044258 2.6482813 4.445584 1 2462 1 +ATOM N N . THR B0 2 102 . 102 THR B0 N 0 7.3441286 2.7999437 5.9236135 1 2463 1 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 0 8.061195 3.6251354 6.882419 1 2464 1 +ATOM C C . THR B0 2 102 . 102 THR B0 C 0 7.846977 3.0021372 8.264505 1 2465 1 +ATOM O O . THR B0 2 102 . 102 THR B0 O 0 6.7086635 2.896097 8.726973 1 2466 1 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 0 7.553351 5.08195 6.901879 1 2467 1 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 0 7.8365383 5.7067957 5.6471725 1 2468 1 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 0 8.219169 5.8762913 8.025841 1 2469 1 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 0 8.937141 2.567421 8.895845 1 2470 1 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 0 8.84706 1.9755969 10.217169 1 2471 1 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 0 9.035037 3.0617743 11.266228 1 2472 1 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 0 10.070396 3.7340941 11.295443 1 2473 1 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 0 9.899886 0.87358236 10.395787 1 2474 1 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 0 9.741571 0.110397264 11.707372 1 2475 1 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 0 10.68358 -1.0870332 11.761215 1 2476 1 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 0 10.454475 -1.9026091 13.032007 1 2477 1 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 0 11.310402 -3.0963745 13.078756 1 2478 1 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 0 8.009277 3.25121 12.094646 1 2479 1 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 0 8.064385 4.2507744 13.161423 1 2480 1 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 0 8.420462 3.5265498 14.44765 1 2481 1 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 0 7.662627 2.6832848 14.931421 1 2482 1 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 0 6.7210293 4.988839 13.319813 1 2483 1 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 0 6.810109 6.009778 14.442818 1 2484 1 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 0 6.3386526 5.6695805 11.998653 1 2485 1 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 0 9.588759 3.8503556 14.9956455 1 2486 1 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 0 10.060301 3.209214 16.220695 1 2487 1 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 0 10.168692 4.2248826 17.346 1 2488 1 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 0 10.120465 5.435836 17.12456 1 2489 1 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 0 11.4262 2.5344691 16.000023 1 2490 1 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 0 12.566048 3.5211248 15.757466 1 2491 1 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 0 13.91993 3.0619206 16.287338 1 2492 1 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 0 14.156308 1.840725 16.410305 1 2493 1 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 0 14.769522 3.930976 16.59277 1 2494 1 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 0 10.300786 3.7173727 18.573238 1 2495 1 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 0 10.401266 4.574173 19.749664 1 2496 1 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 0 11.827166 5.114415 19.867067 1 2497 1 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 0 12.792108 4.3571577 19.78822 1 2498 1 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 0 10.037003 3.800351 21.03048 1 2499 1 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 0 8.640606 3.1848233 20.899502 1 2500 1 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 0 10.121851 4.7183914 22.252861 1 2501 1 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 0 8.295883 2.188097 22.001118 1 2502 1 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 0 11.939154 6.4284983 20.052876 1 2503 1 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 0 13.242882 7.0473804 20.226105 1 2504 1 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 0 13.623705 7.057702 21.704372 1 2505 1 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 0 12.781263 7.336912 22.565666 1 2506 1 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 0 13.258428 8.48462 19.679794 1 2507 1 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 0 14.635897 9.130697 19.706741 1 2508 1 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 0 14.633811 10.475102 18.995218 1 2509 1 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 0 16.031202 11.059053 18.912273 1 2510 1 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 0 16.059057 12.308005 18.128033 1 2511 1 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 0 14.858867 6.7438393 21.9868 1 2512 1 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 0 15.390835 6.773499 23.347378 1 2513 1 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 0 16.846146 7.194903 23.277819 1 2514 1 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 0 17.38619 7.3919716 22.184078 1 2515 1 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 0 15.251436 5.411345 24.034132 1 2516 1 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 0 15.970207 4.2603683 23.331095 1 2517 1 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 0 16.3795 3.1880176 24.325891 1 2518 1 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 0 17.514051 3.6455462 25.141388 1 2519 1 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 0 17.802792 3.1913683 26.351913 1 2520 1 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 0 17.058813 2.2560024 26.910309 1 2521 1 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 0 18.850094 3.6791828 27.004944 1 2522 1 +ATOM N N . THR B0 2 109 . 109 THR B0 N 0 17.489182 7.336138 24.419062 1 2523 1 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 0 18.890446 7.722909 24.457441 1 2524 1 +ATOM C C . THR B0 2 109 . 109 THR B0 C 0 19.76464 6.585045 23.937426 1 2525 1 +ATOM O O . THR B0 2 109 . 109 THR B0 O 0 19.389668 5.4062543 24.012257 1 2526 1 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 0 19.331379 8.092123 25.886162 1 2527 1 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 0 19.09771 6.9821787 26.7603 1 2528 1 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 0 18.571892 9.312754 26.402966 1 2529 1 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 0 20.921448 6.955288 23.39312 1 2530 1 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 0 21.85529 5.953172 22.872211 1 2531 1 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 0 22.304707 5.045598 24.011501 1 2532 1 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 0 22.60292 5.519847 25.111004 1 2533 1 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 0 23.077541 6.6246777 22.20969 1 2534 1 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 0 24.10888 5.58127 21.80023 1 2535 1 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 0 22.639126 7.443924 20.999075 1 2536 1 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 0 22.316883 3.7493474 23.753971 1 2537 1 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 0 22.7417 2.7637763 24.745068 1 2538 1 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 0 23.704218 1.7905867 24.077517 1 2539 1 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 0 23.34864 1.1428151 23.096249 1 2540 1 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 0 21.546642 2.0241594 25.324593 1 2541 1 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 0 24.922493 1.7050039 24.611145 1 2542 1 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 0 25.914337 0.7870784 24.068745 1 2543 1 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 0 25.560658 -0.653795 24.439291 1 2544 1 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 0 24.99848 -0.89964235 25.50762 1 2545 1 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 0 27.301 1.1351134 24.60091 1 2546 1 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 0 25.86996 -1.615809 23.55178 1 2547 1 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 0 25.550056 -3.0078592 23.863422 1 2548 1 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 0 26.50176 -3.600263 24.89888 1 2549 1 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 0 27.677902 -3.2343683 24.953194 1 2550 1 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 0 25.7149 -3.7192593 22.515049 1 2551 1 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 0 26.764507 -2.9218693 21.820633 1 2552 1 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 0 26.480068 -1.4792969 22.208172 1 2553 1 +ATOM N N . SER B0 2 114 . 114 SER B0 N 0 25.96095 -4.49861 25.715353 1 2554 1 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 0 26.806488 -5.33615 26.564651 1 2555 1 +ATOM C C . SER B0 2 114 . 114 SER B0 C 0 27.133698 -6.536157 25.693136 1 2556 1 +ATOM O O . SER B0 2 114 . 114 SER B0 O 0 26.219185 -7.170345 25.146736 1 2557 1 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 0 26.063011 -5.766163 27.829403 1 2558 1 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 0 25.701614 -4.635928 28.628214 1 2559 1 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 0 28.42004 -6.833898 25.51976 1 2560 1 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 0 28.844181 -7.8896856 24.604092 1 2561 1 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 0 29.311249 -9.131659 25.36449 1 2562 1 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 0 30.096666 -9.03512 26.309212 1 2563 1 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 0 29.967495 -7.3899126 23.661499 1 2564 1 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 0 30.31916 -8.454294 22.629333 1 2565 1 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 0 29.544416 -6.0931544 22.971344 1 2566 1 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 0 28.80267 -10.298257 24.934734 1 2567 1 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 0 29.159 -11.575876 25.53555 1 2568 1 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 0 29.496096 -12.566574 24.429893 1 2569 1 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 0 28.911263 -12.505457 23.341686 1 2570 1 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 0 27.999176 -12.134824 26.373371 1 2571 1 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 0 27.442215 -11.169274 27.3881 1 2572 1 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 0 26.351458 -10.375675 27.083294 1 2573 1 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 0 28.013336 -11.064558 28.645264 1 2574 1 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 0 25.835617 -9.481335 28.017189 1 2575 1 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 0 27.507015 -10.179463 29.580368 1 2576 1 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 0 26.411894 -9.386515 29.259613 1 2577 1 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 0 30.441225 -13.491598 24.71013 1 2578 1 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 0 30.780363 -14.518 23.729612 1 2579 1 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 0 30.665274 -15.893215 24.39215 1 2580 1 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 0 31.024185 -16.069386 25.560974 1 2581 1 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 0 32.196136 -14.303684 23.128742 1 2582 1 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 0 32.440636 -15.260521 21.954252 1 2583 1 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 0 33.276363 -14.443369 24.203592 1 2584 1 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 0 33.67674 -14.909089 21.117558 1 2585 1 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 0 30.105312 -16.86409 23.645878 1 2586 1 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 0 29.906246 -18.215649 24.164108 1 2587 1 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 0 30.618103 -19.230408 23.278141 1 2588 1 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 0 30.324888 -19.310957 22.078005 1 2589 1 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 0 28.413368 -18.566826 24.211649 1 2590 1 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 0 27.580404 -17.666046 25.080608 1 2591 1 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 0 26.942581 -16.55814 24.5483 1 2592 1 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 0 27.442207 -17.939325 26.42752 1 2593 1 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 0 26.17558 -15.732603 25.354553 1 2594 1 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 0 26.680246 -17.121643 27.234585 1 2595 1 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 0 26.040558 -16.012676 26.69426 1 2596 1 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 0 31.54921 -20.035343 23.850292 1 2597 1 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 0 32.186523 -21.095955 23.061256 1 2598 1 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 0 31.183525 -22.207409 22.762623 1 2599 1 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 0 30.142048 -22.295456 23.42241 1 2600 1 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 0 33.30088 -21.60365 23.986742 1 2601 1 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 0 33.47097 -20.531319 25.021387 1 2602 1 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 0 32.097134 -19.92896 25.184193 1 2603 1 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 0 31.475552 -23.066679 21.759972 1 2604 1 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 0 30.568861 -24.188667 21.511265 1 2605 1 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 0 30.588812 -25.134903 22.711868 1 2606 1 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 0 31.619883 -25.278625 23.381462 1 2607 1 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 0 31.15994 -24.856672 20.259434 1 2608 1 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 0 32.585747 -24.441074 20.248188 1 2609 1 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 0 32.601414 -23.0509 20.81885 1 2610 1 +ATOM N N . SER B0 2 121 . 121 SER B0 N 0 29.454025 -25.771729 22.978975 1 2611 1 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 0 29.381416 -26.713776 24.090164 1 2612 1 +ATOM C C . SER B0 2 121 . 121 SER B0 C 0 30.07503 -28.020596 23.720505 1 2613 1 +ATOM O O . SER B0 2 121 . 121 SER B0 O 0 30.154907 -28.39178 22.544653 1 2614 1 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 0 27.919348 -26.990032 24.45496 1 2615 1 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 0 27.271626 -27.671421 23.394512 1 2616 1 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 0 30.583645 -28.715797 24.73616 1 2617 1 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 0 31.180733 -30.032284 24.500992 1 2618 1 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 0 30.134819 -30.972265 23.91731 1 2619 1 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 0 30.456554 -31.832138 23.093185 1 2620 1 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 0 31.723907 -30.611181 25.810436 1 2621 1 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 0 32.955822 -29.87238 26.308178 1 2622 1 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 0 33.638138 -29.228762 25.492146 1 2623 1 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 0 33.234333 -29.949112 27.524382 1 2624 1 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 0 28.894588 -30.775156 24.321886 1 2625 1 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 0 27.781467 -31.582626 23.844646 1 2626 1 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 0 27.626574 -31.456802 22.328674 1 2627 1 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 0 27.456924 -32.44931 21.620682 1 2628 1 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 0 26.49579 -31.146244 24.557854 1 2629 1 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 0 25.327612 -32.08871 24.404991 1 2630 1 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 0 24.132832 -31.646183 25.214558 1 2631 1 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 0 24.287226 -30.777992 26.1025 1 2632 1 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 0 23.02611 -32.154778 24.973164 1 2633 1 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 0 27.712658 -30.21648 21.807838 1 2634 1 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 0 27.570612 -30.009624 20.369614 1 2635 1 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 0 28.777927 -30.55154 19.6176 1 2636 1 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 0 28.628637 -31.1143 18.534918 1 2637 1 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 0 27.377436 -28.525448 20.0392 1 2638 1 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 0 27.152517 -28.301075 18.550648 1 2639 1 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 0 27.154106 -26.86 18.126991 1 2640 1 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 0 27.758461 -26.017853 18.786478 1 2641 1 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 0 26.490166 -26.563229 17.01376 1 2642 1 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 0 29.972588 -30.363558 20.167645 1 2643 1 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 0 31.184795 -30.812382 19.492355 1 2644 1 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 0 31.170582 -32.31241 19.20929 1 2645 1 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 0 31.75993 -32.760174 18.224232 1 2646 1 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 0 32.423744 -30.438389 20.315632 1 2647 1 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 0 32.756042 -28.944078 20.34351 1 2648 1 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 0 33.8841 -28.668863 21.330687 1 2649 1 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 0 33.128563 -28.460365 18.948677 1 2650 1 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 0 30.478195 -33.088894 20.053856 1 2651 1 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 0 30.361418 -34.52944 19.838291 1 2652 1 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 0 29.619211 -34.847958 18.547081 1 2653 1 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 0 29.800018 -35.92106 17.968845 1 2654 1 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 0 29.652075 -35.191322 21.020092 1 2655 1 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 0 30.46723 -35.195614 22.30644 1 2656 1 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 0 29.64444 -35.73288 23.48131 1 2657 1 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 0 29.262123 -37.18111 23.273342 1 2658 1 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 0 28.453995 -37.720894 24.400421 1 2659 1 +ATOM N N . SER B0 2 127 . 127 SER B0 N 0 28.79766 -33.88542 18.064419 1 2660 1 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 0 28.02792 -34.089466 16.845627 1 2661 1 +ATOM C C . SER B0 2 127 . 127 SER B0 C 0 28.79534 -33.680374 15.594021 1 2662 1 +ATOM O O . SER B0 2 127 . 127 SER B0 O 0 28.31091 -33.895172 14.476849 1 2663 1 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 0 26.718334 -33.311672 16.915516 1 2664 1 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 0 26.951502 -31.916584 16.831617 1 2665 1 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 0 29.99823 -33.104706 15.753184 1 2666 1 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 0 30.831938 -32.748287 14.621258 1 2667 1 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 0 30.74535 -31.31668 14.15002 1 2668 1 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 0 31.367025 -30.961731 13.141369 1 2669 1 +ATOM N N . THR B0 2 129 . 129 THR B0 N 0 30.005814 -30.457914 14.847498 1 2670 1 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 0 29.866695 -29.053276 14.468042 1 2671 1 +ATOM C C . THR B0 2 129 . 129 THR B0 C 0 30.110748 -28.155348 15.671778 1 2672 1 +ATOM O O . THR B0 2 129 . 129 THR B0 O 0 29.8619 -28.562038 16.813932 1 2673 1 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 0 28.46671 -28.779108 13.893118 1 2674 1 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 0 28.267649 -29.598856 12.7380085 1 2675 1 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 0 28.315096 -27.31379 13.48624 1 2676 1 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 0 30.59808 -26.933983 15.403092 1 2677 1 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 0 30.856884 -25.967075 16.460098 1 2678 1 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 0 30.148544 -24.655577 16.140177 1 2679 1 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 0 30.361067 -24.071793 15.074678 1 2680 1 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 0 32.3574 -25.734436 16.617947 1 2681 1 +ATOM N N . SER B0 2 131 . 131 SER B0 N 0 29.293179 -24.191456 17.063868 1 2682 1 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 0 28.622843 -22.904734 16.93098 1 2683 1 +ATOM C C . SER B0 2 131 . 131 SER B0 C 0 29.146313 -21.967861 18.014727 1 2684 1 +ATOM O O . SER B0 2 131 . 131 SER B0 O 0 29.077757 -22.292736 19.206253 1 2685 1 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 0 27.10868 -23.055847 17.0797 1 2686 1 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 0 26.556229 -23.833725 16.03354 1 2687 1 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 0 29.70248 -20.836746 17.58157 1 2688 1 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 0 30.193102 -19.82588 18.513762 1 2689 1 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 0 29.189129 -18.678898 18.464794 1 2690 1 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 0 28.84639 -18.1911 17.377087 1 2691 1 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 0 31.601694 -19.32021 18.127151 1 2692 1 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 0 32.19483 -18.509266 19.268505 1 2693 1 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 0 32.521896 -20.496086 17.774858 1 2694 1 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 0 28.709848 -18.246899 19.635853 1 2695 1 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 0 27.66238 -17.23597 19.686779 1 2696 1 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 0 28.168575 -15.944191 20.32679 1 2697 1 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 0 28.801052 -15.9672365 21.385233 1 2698 1 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 0 26.426498 -17.750038 20.461288 1 2699 1 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 0 25.370796 -16.653414 20.584227 1 2700 1 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 0 25.84705 -18.973984 19.76381 1 2701 1 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 0 27.872782 -14.81345 19.651758 1 2702 1 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 0 28.191774 -13.492116 20.180933 1 2703 1 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 0 26.873268 -12.77524 20.448578 1 2704 1 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 0 26.022831 -12.683174 19.556278 1 2705 1 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 0 29.03879 -12.702051 19.188421 1 2706 1 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 0 29.655666 -11.135021 19.815407 1 2707 1 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 0 26.687656 -12.282396 21.675714 1 2708 1 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 0 25.45961 -11.608898 22.08272 1 2709 1 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 0 25.714966 -10.1236315 22.319624 1 2710 1 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 0 26.632471 -9.756519 23.060684 1 2711 1 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 0 24.904404 -12.249915 23.364353 1 2712 1 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 0 23.783604 -11.482616 24.093172 1 2713 1 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 0 23.507038 -12.115652 25.452757 1 2714 1 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 0 22.51291 -11.445845 23.25122 1 2715 1 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 0 24.908707 -9.276409 21.656002 1 2716 1 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 0 24.936142 -7.8299556 21.879955 1 2717 1 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 0 23.619408 -7.5143185 22.573906 1 2718 1 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 0 22.550365 -7.62713 21.961685 1 2719 1 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 0 25.02007 -7.078188 20.552645 1 2720 1 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 0 26.351307 -7.019289 19.810879 1 2721 1 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 0 26.82405 -8.392822 19.387657 1 2722 1 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 0 26.242558 -6.0927696 18.608076 1 2723 1 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 0 23.685892 -7.1443276 23.845383 1 2724 1 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 0 22.474789 -7.009014 24.646523 1 2725 1 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 0 22.080849 -5.5688725 24.950092 1 2726 1 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 0 22.91729 -4.750683 25.354805 1 2727 1 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 0 22.641605 -7.7772517 25.963665 1 2728 1 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 0 21.333273 -8.268591 26.53625 1 2729 1 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 0 20.51395 -8.854258 25.815182 1 2730 1 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 0 21.140026 -8.087086 27.814299 1 2731 1 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 0 20.792595 -5.2733684 24.759584 1 2732 1 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 0 20.132353 -4.0428677 25.174189 1 2733 1 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 0 20.833267 -2.7758238 24.684448 1 2734 1 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 0 21.323406 -1.9642267 25.470238 1 2735 1 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 0 19.971199 -4.0096803 26.699835 1 2736 1 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 0 19.093075 -5.128831 27.209427 1 2737 1 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 0 18.423126 -5.816983 26.436993 1 2738 1 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 0 19.075796 -5.3290358 28.52145 1 2739 1 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 0 20.830723 -2.5786684 23.354359 1 2740 1 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 0 21.4581 -1.3973358 22.767174 1 2741 1 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 0 20.471308 -0.5641781 21.957695 1 2742 1 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 0 19.37218 -1.0102959 21.629324 1 2743 1 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 0 22.659348 -1.791057 21.896755 1 2744 1 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 0 22.32016 -2.7059846 20.749374 1 2745 1 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 0 22.354607 -4.084669 20.91151 1 2746 1 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 0 22.006973 -2.1861184 19.50919 1 2747 1 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 0 22.062193 -4.928648 19.84611 1 2748 1 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 0 21.720064 -3.025495 18.44167 1 2749 1 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 0 21.74851 -4.401707 18.611416 1 2750 1 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 0 20.859278 0.6789299 21.648964 1 2751 1 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 0 20.088224 1.607089 20.834742 1 2752 1 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 0 21.029266 2.6548085 20.284721 1 2753 1 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 0 21.866919 3.16258 21.02102 1 2754 1 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 0 18.970255 2.2661486 21.660446 1 2755 1 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 0 18.055447 3.119819 20.80282 1 2756 1 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 0 18.384865 4.443596 20.515057 1 2757 1 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 0 16.906221 2.5921257 20.237736 1 2758 1 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 0 17.584995 5.2126484 19.694174 1 2759 1 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 0 16.099648 3.3564606 19.418367 1 2760 1 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 0 16.438461 4.663883 19.145098 1 2761 1 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 0 15.65828 5.4095135 18.325165 1 2762 1 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 0 20.92331 3.0139077 18.994118 1 2763 1 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 0 19.974092 2.5563931 17.978485 1 2764 1 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 0 20.284077 1.1622365 17.43805 1 2765 1 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 0 21.2507 0.5296341 17.867334 1 2766 1 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 0 20.132751 3.6111612 16.8698 1 2767 1 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 0 21.542656 4.0664186 17.006418 1 2768 1 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 0 21.809925 4.06688 18.49235 1 2769 1 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 0 19.433825 0.6837646 16.521744 1 2770 1 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 0 19.487026 -0.6878154 16.03484 1 2771 1 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 0 20.747467 -1.0151863 15.2427635 1 2772 1 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 0 21.223795 -2.1488662 15.263917 1 2773 1 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 0 18.251116 -0.96859777 15.171268 1 2774 1 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 0 18.086977 -2.4124684 14.736729 1 2775 1 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 0 16.816948 -2.5653172 13.930477 1 2776 1 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 0 16.46821 -3.958355 13.659069 1 2777 1 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 0 16.948204 -4.6614122 12.644291 1 2778 1 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 0 17.812813 -4.103465 11.797909 1 2779 1 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 0 16.582787 -5.9228487 12.481652 1 2780 1 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 0 21.31348 -0.004190322 14.542458 1 2781 1 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 0 22.472368 -0.22323495 13.681152 1 2782 1 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 0 23.695194 -0.65380096 14.480821 1 2783 1 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 0 24.113674 0.04192035 15.412551 1 2784 1 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 0 22.800415 1.0360308 12.882027 1 2785 1 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 0 21.779926 1.3784857 11.801387 1 2786 1 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 0 20.474121 1.9111979 12.333544 1 2787 1 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 0 19.443571 1.7435143 11.653536 1 2788 1 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 0 20.4615 2.4988601 13.443338 1 2789 1 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 0 24.237709 -1.8114077 14.14299 1 2790 1 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 0 25.42837 -2.353393 14.799828 1 2791 1 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 0 26.136372 -3.2802863 13.825571 1 2792 1 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 0 25.509748 -3.8596683 12.946089 1 2793 1 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 0 25.071028 -3.106563 16.079935 1 2794 1 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 0 27.46895 -3.3995495 13.974874 1 2795 1 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 0 28.2467 -4.2765126 13.105778 1 2796 1 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 0 29.011307 -5.2873483 13.954302 1 2797 1 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 0 29.631165 -4.912616 14.963087 1 2798 1 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 0 29.23249 -3.4665427 12.248365 1 2799 1 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 0 30.03276 -4.3167477 11.267858 1 2800 1 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 0 30.919064 -3.4659443 10.363178 1 2801 1 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 0 32.106094 -2.880179 11.123145 1 2802 1 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 0 33.041943 -2.1903317 10.212188 1 2803 1 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 0 28.932957 -6.561945 13.539871 1 2804 1 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 0 29.64751 -7.6406603 14.222006 1 2805 1 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 0 30.614174 -8.278506 13.23253 1 2806 1 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 0 30.206879 -8.698683 12.148426 1 2807 1 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 0 28.686604 -8.71063 14.776053 1 2808 1 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 0 29.484842 -9.840005 15.432926 1 2809 1 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 0 27.714767 -8.089279 15.776515 1 2810 1 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 0 31.893353 -8.324068 13.598152 1 2811 1 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 0 32.91607 -8.951204 12.766717 1 2812 1 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 0 33.52435 -10.115379 13.544012 1 2813 1 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 0 33.897545 -9.955302 14.712715 1 2814 1 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 0 34.008812 -7.9437165 12.400267 1 2815 1 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 0 33.566772 -6.879922 11.408031 1 2816 1 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 0 33.980328 -7.223537 9.991955 1 2817 1 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 0 33.51651 -8.220979 9.445867 1 2818 1 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 0 34.845207 -6.4083037 9.411989 1 2819 1 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 0 33.61229 -11.27192 12.898821 1 2820 1 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 0 34.21267 -12.439073 13.519087 1 2821 1 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 0 35.674507 -12.572552 13.088257 1 2822 1 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 0 36.012478 -12.349322 11.922231 1 2823 1 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 0 33.456245 -13.718603 13.139496 1 2824 1 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 0 32.176056 -13.922222 13.877351 1 2825 1 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 0 30.92483 -13.652956 13.427025 1 2826 1 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 0 32.02673 -14.455621 15.191868 1 2827 1 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 0 29.996576 -13.983288 14.38291 1 2828 1 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 0 30.64611 -14.478243 15.479828 1 2829 1 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 0 32.927048 -14.913228 16.165527 1 2830 1 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 0 30.145538 -14.944552 16.694103 1 2831 1 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 0 32.425747 -15.373843 17.366985 1 2832 1 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 0 31.05072 -15.383211 17.619793 1 2833 1 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 0 36.52248 -12.911102 14.033386 1 2834 1 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 0 37.941612 -13.154103 13.76262 1 2835 1 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 0 38.35563 -14.481522 14.3874035 1 2836 1 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 0 38.04859 -14.737995 15.554977 1 2837 1 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 0 38.815735 -12.021294 14.323756 1 2838 1 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 0 38.605545 -10.674618 13.651432 1 2839 1 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 0 39.52086 -9.617662 14.267477 1 2840 1 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 0 39.323036 -8.271851 13.594336 1 2841 1 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 0 40.165565 -7.2205043 14.221459 1 2842 1 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 0 39.037014 -15.299375 13.5887165 1 2843 1 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 0 39.55803 -16.583828 14.067733 1 2844 1 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 0 41.06948 -16.529737 13.870883 1 2845 1 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 0 41.547676 -16.4515 12.734703 1 2846 1 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 0 38.94619 -17.765266 13.296274 1 2847 1 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 0 39.560093 -19.077337 13.789057 1 2848 1 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 0 37.430527 -17.780907 13.464742 1 2849 1 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 0 41.830612 -16.5406 14.979594 1 2850 1 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 0 43.277325 -16.335754 14.953913 1 2851 1 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 0 43.599747 -15.08432 14.137024 1 2852 1 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 0 44.498997 -15.074052 13.291392 1 2853 1 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 0 44.00699 -17.563711 14.393383 1 2854 1 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 0 44.062916 -18.709867 15.396631 1 2855 1 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 0 43.85105 -18.473728 16.604038 1 2856 1 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 0 44.324947 -19.858612 14.977957 1 2857 1 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 0 42.8239 -14.029276 14.383055 1 2858 1 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 0 42.959656 -12.701638 13.783005 1 2859 1 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 0 42.604378 -12.636242 12.296883 1 2860 1 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 0 42.83378 -11.603157 11.64584 1 2861 1 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 0 44.37494 -12.142489 14.016422 1 2862 1 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 0 44.40934 -10.632203 13.978727 1 2863 1 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 0 43.459633 -9.969015 14.404055 1 2864 1 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 0 45.501038 -10.0701 13.482361 1 2865 1 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 0 42.040283 -13.699551 11.744231 1 2866 1 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 0 41.617935 -13.706648 10.344883 1 2867 1 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 0 40.118443 -13.397476 10.267801 1 2868 1 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 0 39.30327 -14.096201 10.863892 1 2869 1 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 0 41.91539 -15.050028 9.703496 1 2870 1 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 0 39.7594 -12.331953 9.513853 1 2871 1 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 0 38.36078 -11.940386 9.3700905 1 2872 1 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 0 37.56451 -13.022829 8.645979 1 2873 1 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 0 38.00615 -13.54318 7.6200204 1 2874 1 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 0 38.256462 -10.61681 8.602179 1 2875 1 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 0 38.67763 -9.356617 9.363571 1 2876 1 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 0 38.73388 -8.161808 8.417477 1 2877 1 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 0 37.71344 -9.081226 10.508628 1 2878 1 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 0 36.392967 -13.326708 9.176794 1 2879 1 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 0 35.54112 -14.366852 8.607497 1 2880 1 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 0 34.500443 -13.769221 7.6697783 1 2881 1 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 0 34.092564 -12.6116085 7.8237734 1 2882 1 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 0 34.822773 -15.146093 9.71763 1 2883 1 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 0 35.7752 -15.773972 10.7129965 1 2884 1 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 0 36.67807 -16.806759 10.071962 1 2885 1 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 0 36.211967 -17.815748 9.579947 1 2886 1 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 0 37.974834 -16.542912 10.040184 1 2887 1 +ATOM N N . SER B0 2 156 . 156 SER B0 N 0 34.09514 -14.566904 6.6974583 1 2888 1 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 0 33.072166 -14.144501 5.7495193 1 2889 1 +ATOM C C . SER B0 2 156 . 156 SER B0 C 0 32.24288 -15.350075 5.30859 1 2890 1 +ATOM O O . SER B0 2 156 . 156 SER B0 O 0 32.80017 -16.403378 4.9879103 1 2891 1 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 0 33.705067 -13.469542 4.5356936 1 2892 1 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 0 32.708683 -13.080736 3.5904756 1 2893 1 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 0 30.919872 -15.189039 5.2990103 1 2894 1 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 0 30.016594 -16.213036 4.8015285 1 2895 1 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 0 29.718224 -17.367008 5.730633 1 2896 1 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 0 29.020174 -18.302279 5.3217373 1 2897 1 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 0 30.227709 -17.322376 6.947884 1 2898 1 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 0 29.998749 -18.431957 7.869117 1 2899 1 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 0 29.330488 -18.0065 9.176271 1 2900 1 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 0 29.451576 -18.6941 10.193101 1 2901 1 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 0 31.305094 -19.183613 8.160633 1 2902 1 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 0 32.424377 -18.268978 8.64596 1 2903 1 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 0 32.234188 -17.055374 8.797607 1 2904 1 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 0 33.599197 -18.84105 8.88892 1 2905 1 +ATOM N N . SER B0 2 159 . 159 SER B0 N 0 28.618628 -16.886967 9.137364 1 2906 1 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 0 27.891232 -16.436111 10.316129 1 2907 1 +ATOM C C . SER B0 2 159 . 159 SER B0 C 0 26.5255 -15.887598 9.920225 1 2908 1 +ATOM O O . SER B0 2 159 . 159 SER B0 O 0 26.315979 -15.464985 8.77935 1 2909 1 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 0 28.687277 -15.371014 11.083128 1 2910 1 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 0 28.857586 -14.202874 10.319115 1 2911 1 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 0 25.598602 -15.925615 10.85841 1 2912 1 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 0 24.25351 -15.401617 10.647181 1 2913 1 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 0 23.81636 -14.603184 11.870079 1 2914 1 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 0 24.134829 -14.971457 13.005097 1 2915 1 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 0 23.258402 -16.532795 10.384018 1 2916 1 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 0 23.437721 -17.215618 9.046822 1 2917 1 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 0 22.356544 -18.235218 8.77132 1 2918 1 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 0 22.33498 -19.305714 9.378128 1 2919 1 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 0 21.435905 -17.901283 7.8766146 1 2920 1 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 0 23.061764 -13.502775 11.618744 1 2921 1 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 0 22.582825 -12.641168 12.68726 1 2922 1 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 0 21.066162 -12.6973915 12.8316 1 2923 1 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 0 20.351757 -12.972365 11.87212 1 2924 1 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 0 22.976032 -11.176452 12.426783 1 2925 1 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 0 24.461655 -10.890774 12.553286 1 2926 1 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 0 24.781654 -9.417196 12.352539 1 2927 1 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 0 25.959824 -9.040731 12.500185 1 2928 1 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 0 23.863398 -8.62381 12.052979 1 2929 1 +ATOM N N . SER B0 2 162 . 162 SER B0 N 0 20.605225 -12.403641 14.039356 1 2930 1 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 0 19.180273 -12.284466 14.311971 1 2931 1 +ATOM C C . SER B0 2 162 . 162 SER B0 C 0 19.005257 -11.161405 15.332097 1 2932 1 +ATOM O O . SER B0 2 162 . 162 SER B0 O 0 19.796158 -11.052971 16.277924 1 2933 1 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 0 18.616829 -13.595144 14.864359 1 2934 1 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 0 17.21508 -13.504593 15.064619 1 2935 1 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 0 17.993324 -10.310214 15.126987 1 2936 1 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 0 17.75934 -9.167557 16.00543 1 2937 1 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 0 16.341091 -9.221799 16.558884 1 2938 1 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 0 15.393547 -9.538366 15.837652 1 2939 1 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 0 17.96631 -7.8304276 15.254248 1 2940 1 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 0 17.872154 -6.6521664 16.208984 1 2941 1 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 0 19.31702 -7.825631 14.548326 1 2942 1 +ATOM N N . THR B0 2 164 . 164 THR B0 N 0 16.18985 -8.885805 17.836563 1 2943 1 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 0 14.872257 -8.8570175 18.464165 1 2944 1 +ATOM C C . THR B0 2 164 . 164 THR B0 C 0 14.089849 -7.627343 18.014559 1 2945 1 +ATOM O O . THR B0 2 164 . 164 THR B0 O 0 14.659315 -6.667006 17.48346 1 2946 1 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 0 14.976604 -8.806685 20.005325 1 2947 1 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 0 15.711065 -7.6356797 20.38625 1 2948 1 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 0 15.659506 -10.04146 20.55876 1 2949 1 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 0 12.770319 -7.6435156 18.237461 1 2950 1 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 0 11.950711 -6.4577975 18.059769 1 2951 1 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 0 12.306911 -5.497545 19.18568 1 2952 1 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 0 12.868792 -5.9032493 20.209215 1 2953 1 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 0 10.463523 -6.8128796 18.128803 1 2954 1 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 0 9.960143 -7.651968 16.954811 1 2955 1 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 0 10.004013 -6.9056177 15.641422 1 2956 1 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 0 10.347475 -7.5237446 14.618345 1 2957 1 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 0 9.700148 -5.6858764 15.627781 1 2958 1 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 0 12.000233 -4.225851 18.993538 1 2959 1 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 0 12.297373 -3.2335272 20.019903 1 2960 1 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 0 11.604849 -3.607832 21.329021 1 2961 1 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 0 10.411791 -3.9099052 21.351364 1 2962 1 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 0 11.852627 -1.8475752 19.548 1 2963 1 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 0 12.402558 -0.71730554 20.401432 1 2964 1 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 0 12.143759 0.6450463 19.795536 1 2965 1 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 0 11.144573 0.85140383 19.10368 1 2966 1 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 0 13.043791 1.5917144 20.048912 1 2967 1 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 0 12.362467 -3.609737 22.424686 1 2968 1 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 0 11.835508 -4.018377 23.728695 1 2969 1 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 0 10.683358 -3.1178575 24.168758 1 2970 1 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 0 10.7641735 -1.8854227 24.049576 1 2971 1 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 0 12.958405 -3.989719 24.77091 1 2972 1 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 0 12.5350685 -4.5732555 26.104876 1 2973 1 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 0 12.102512 -3.8074033 26.989529 1 2974 1 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 0 12.646966 -5.804664 26.257074 1 2975 1 +ATOM N N . SER B0 2 168 . 168 SER B0 N 0 9.60778 -3.7140446 24.659973 1 2976 1 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 0 8.420319 -2.9756405 25.058296 1 2977 1 +ATOM C C . SER B0 2 168 . 168 SER B0 C 0 8.613533 -2.151835 26.326584 1 2978 1 +ATOM O O . SER B0 2 168 . 168 SER B0 O 0 7.822756 -1.2508132 26.600899 1 2979 1 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 0 7.2403593 -3.9340005 25.254395 1 2980 1 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 0 7.501095 -4.8526945 26.297432 1 2981 1 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 0 9.656071 -2.439406 27.113777 1 2982 1 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 0 9.889568 -1.7415515 28.368214 1 2983 1 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 0 10.974305 -0.67750835 28.266771 1 2984 1 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 0 10.74408 0.4708164 28.65123 1 2985 1 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 0 10.226736 -2.736212 29.481657 1 2986 1 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 0 9.090423 -3.6752102 29.838497 1 2987 1 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 0 9.484319 -4.6148233 30.971579 1 2988 1 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 0 8.335735 -5.5527225 31.321995 1 2989 1 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 0 8.708289 -6.4836845 32.41076 1 2990 1 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 0 12.161972 -1.0463412 27.743057 1 2991 1 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 0 13.255961 -0.082729965 27.684921 1 2992 1 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 0 13.610043 0.37681913 26.273077 1 2993 1 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 0 14.540344 1.1692289 26.101524 1 2994 1 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 0 14.505311 -0.6220008 28.400272 1 2995 1 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 0 15.125006 -1.8383609 27.726545 1 2996 1 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 0 14.756128 -2.1486657 26.577888 1 2997 1 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 0 16.000229 -2.4704552 28.36287 1 2998 1 +ATOM N N . SER B0 2 171 . 171 SER B0 N 0 12.868006 -0.069260046 25.26649 1 2999 1 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 0 13.008682 0.35324597 23.871504 1 3000 1 +ATOM C C . SER B0 2 171 . 171 SER B0 C 0 14.370136 0.037532195 23.250988 1 3001 1 +ATOM O O . SER B0 2 171 . 171 SER B0 O 0 14.778056 0.68605953 22.281748 1 3002 1 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 0 12.7121525 1.8541083 23.733341 1 3003 1 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 0 11.428665 2.168139 24.249338 1 3004 1 +ATOM N N . THR B0 2 172 . 172 THR B0 N 0 15.075418 -0.96100414 23.783104 1 3005 1 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 0 16.370674 -1.3616112 23.237495 1 3006 1 +ATOM C C . THR B0 2 172 . 172 THR B0 C 0 16.220137 -2.57299 22.317997 1 3007 1 +ATOM O O . THR B0 2 172 . 172 THR B0 O 0 15.156227 -3.1880498 22.238657 1 3008 1 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 0 17.38597 -1.7124004 24.348322 1 3009 1 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 0 16.895006 -2.8347754 25.096394 1 3010 1 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 0 17.635456 -0.5303135 25.27611 1 3011 1 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 0 17.31681 -2.8950286 21.61953 1 3012 1 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 0 17.407448 -4.0720167 20.767519 1 3013 1 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 0 18.472591 -5.0042734 21.315716 1 3014 1 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 0 19.356274 -4.5829473 22.062202 1 3015 1 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 0 17.791885 -3.6850896 19.329134 1 3016 1 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 0 16.799862 -2.7850566 18.635685 1 3017 1 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 0 16.930262 -1.404791 18.692877 1 3018 1 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 0 15.742179 -3.3173826 17.918507 1 3019 1 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 0 16.024124 -0.57138604 18.06267 1 3020 1 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 0 14.830414 -2.4934125 17.280972 1 3021 1 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 0 14.977993 -1.1210089 17.357952 1 3022 1 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 0 14.08362 -0.30820268 16.73656 1 3023 1 +ATOM N N . SER B0 2 174 . 174 SER B0 N 0 18.376091 -6.263592 20.937077 1 3024 1 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 0 19.423582 -7.241373 21.228199 1 3025 1 +ATOM C C . SER B0 2 174 . 174 SER B0 C 0 19.702686 -8.010561 19.943195 1 3026 1 +ATOM O O . SER B0 2 174 . 174 SER B0 O 0 18.806522 -8.193878 19.118431 1 3027 1 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 0 19.011772 -8.187146 22.356258 1 3028 1 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 0 18.943209 -7.490538 23.602087 1 3029 1 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 0 20.957657 -8.4258 19.772762 1 3030 1 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 0 21.37379 -9.1056795 18.547934 1 3031 1 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 0 22.218334 -10.321472 18.881397 1 3032 1 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 0 23.031384 -10.284166 19.81023 1 3033 1 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 0 22.162903 -8.13214 17.667713 1 3034 1 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 0 22.719395 -8.600625 16.327648 1 3035 1 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 0 22.835676 -7.417499 15.362455 1 3036 1 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 0 24.070293 -9.294399 16.463451 1 3037 1 +ATOM N N . SER B0 2 176 . 176 SER B0 N 0 22.01022 -11.391045 18.11787 1 3038 1 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 0 22.805534 -12.6029005 18.255728 1 3039 1 +ATOM C C . SER B0 2 176 . 176 SER B0 C 0 23.476797 -12.899757 16.923065 1 3040 1 +ATOM O O . SER B0 2 176 . 176 SER B0 O 0 22.83569 -12.826282 15.870402 1 3041 1 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 0 21.93617 -13.784114 18.681099 1 3042 1 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 0 22.698086 -14.959578 18.760195 1 3043 1 +ATOM N N . SER B0 2 177 . 177 SER B0 N 0 24.778492 -13.193695 16.955832 1 3044 1 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 0 25.51696 -13.603096 15.759886 1 3045 1 +ATOM C C . SER B0 2 177 . 177 SER B0 C 0 26.11891 -14.973574 16.0428 1 3046 1 +ATOM O O . SER B0 2 177 . 177 SER B0 O 0 26.779812 -15.161997 17.063005 1 3047 1 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 0 26.614555 -12.59672 15.423443 1 3048 1 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 0 27.331867 -12.999098 14.257963 1 3049 1 +ATOM N N . THR B0 2 178 . 178 THR B0 N 0 25.868244 -15.920728 15.137144 1 3050 1 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 0 26.372314 -17.277157 15.321329 1 3051 1 +ATOM C C . THR B0 2 178 . 178 THR B0 C 0 27.370537 -17.626005 14.222551 1 3052 1 +ATOM O O . THR B0 2 178 . 178 THR B0 O 0 27.03848 -17.587866 13.041695 1 3053 1 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 0 25.230839 -18.305645 15.323152 1 3054 1 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 0 24.310476 -17.979128 16.3718 1 3055 1 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 0 25.76896 -19.717018 15.558559 1 3056 1 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 0 28.597496 -17.96002 14.639801 1 3057 1 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 0 29.647808 -18.412964 13.730139 1 3058 1 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 0 29.614563 -19.935345 13.731936 1 3059 1 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 0 29.650017 -20.553158 14.79527 1 3060 1 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 0 31.017654 -17.91668 14.207124 1 3061 1 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 0 32.243896 -18.39134 13.41363 1 3062 1 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 0 33.52105 -18.143673 14.215277 1 3063 1 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 0 32.301395 -17.684336 12.070465 1 3064 1 +ATOM N N . THR B0 2 180 . 180 THR B0 N 0 29.51551 -20.536034 12.532687 1 3065 1 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 0 29.438148 -21.992165 12.447038 1 3066 1 +ATOM C C . THR B0 2 180 . 180 THR B0 C 0 30.657547 -22.563583 11.726501 1 3067 1 +ATOM O O . THR B0 2 180 . 180 THR B0 O 0 31.003628 -22.132828 10.628377 1 3068 1 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 0 28.157162 -22.43251 11.726044 1 3069 1 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 0 27.021845 -21.908382 12.421427 1 3070 1 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 0 28.051056 -23.95338 11.662166 1 3071 1 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 0 31.306719 -23.546093 12.3684635 1 3072 1 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 0 32.469265 -24.239079 11.821226 1 3073 1 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 0 32.309204 -25.73593 12.028703 1 3074 1 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 0 31.560463 -26.166452 12.911503 1 3075 1 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 0 33.75588 -23.799343 12.528854 1 3076 1 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 0 34.125664 -22.32233 12.533063 1 3077 1 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 0 35.271324 -22.08809 13.514582 1 3078 1 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 0 34.50689 -21.875687 11.133282 1 3079 1 +ATOM N N . SER B0 2 182 . 182 SER B0 N 0 33.036743 -26.514286 11.21896 1 3080 1 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 0 33.085136 -27.94159 11.481089 1 3081 1 +ATOM C C . SER B0 2 182 . 182 SER B0 C 0 33.94217 -28.141891 12.7268505 1 3082 1 +ATOM O O . SER B0 2 182 . 182 SER B0 O 0 34.75807 -27.277893 13.073851 1 3083 1 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 0 33.69726 -28.694374 10.296848 1 3084 1 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 0 35.068275 -28.36724 10.152036 1 3085 1 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 0 33.775352 -29.263933 13.401262 1 3086 1 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 0 34.581146 -29.552597 14.582488 1 3087 1 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 0 36.070175 -29.545197 14.229717 1 3088 1 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 0 36.89674 -29.00813 14.970171 1 3089 1 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 0 34.194435 -30.901205 15.190754 1 3090 1 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 0 35.058716 -31.31765 16.379278 1 3091 1 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 0 34.68993 -32.71788 16.8517 1 3092 1 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 0 35.59819 -33.16277 17.997654 1 3093 1 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 0 35.279984 -34.54755 18.440197 1 3094 1 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 0 36.404305 -30.134388 13.06967 1 3095 1 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 0 37.794823 -30.208778 12.632393 1 3096 1 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 0 38.4032 -28.82056 12.452735 1 3097 1 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 0 39.5207 -28.564026 12.900561 1 3098 1 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 0 37.899307 -31.000427 11.3349 1 3099 1 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 0 37.655975 -27.913086 11.79823 1 3100 1 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 0 38.15175 -26.552977 11.597296 1 3101 1 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 0 38.255775 -25.810158 12.925159 1 3102 1 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 0 39.209164 -25.060028 13.13765 1 3103 1 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 0 37.239594 -25.779331 10.64201 1 3104 1 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 0 37.465324 -26.153301 9.182746 1 3105 1 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 0 38.51045 -26.7694 8.874111 1 3106 1 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 0 36.594524 -25.824295 8.35466 1 3107 1 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 0 37.27028 -25.99622 13.788141 1 3108 1 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 0 37.2732 -25.330482 15.089139 1 3109 1 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 0 38.512497 -25.704914 15.9046955 1 3110 1 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 0 39.128254 -24.847198 16.547329 1 3111 1 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 0 36.00071 -25.677265 15.867029 1 3112 1 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 0 35.976295 -25.121199 17.279072 1 3113 1 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 0 36.088005 -25.971098 18.381838 1 3114 1 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 0 35.833656 -23.751545 17.50509 1 3115 1 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 0 36.062992 -25.467508 19.666 1 3116 1 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 0 35.812218 -23.24539 18.79445 1 3117 1 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 0 35.92545 -24.106186 19.866161 1 3118 1 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 0 35.904877 -23.602581 21.147999 1 3119 1 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 0 38.88632 -26.98534 15.856703 1 3120 1 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 0 40.008892 -27.477757 16.648972 1 3121 1 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 0 41.379543 -27.135017 16.04932 1 3122 1 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 0 42.403122 -27.399477 16.671612 1 3123 1 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 0 39.874607 -28.985193 16.860355 1 3124 1 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 0 38.679512 -29.32316 17.750988 1 3125 1 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 0 38.542156 -30.796146 18.06655 1 3126 1 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 0 37.83596 -31.126064 19.042786 1 3127 1 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 0 39.123505 -31.626102 17.33567 1 3128 1 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 0 41.398476 -26.548138 14.8484535 1 3129 1 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 0 42.656067 -26.131596 14.225285 1 3130 1 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 0 43.08044 -24.733982 14.646799 1 3131 1 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 0 44.194004 -24.305767 14.3345585 1 3132 1 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 0 42.536293 -26.171715 12.69769 1 3133 1 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 0 42.479225 -27.569267 12.12277 1 3134 1 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 0 42.400295 -27.515778 10.605114 1 3135 1 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 0 42.33984 -28.914196 10.030917 1 3136 1 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 0 42.216564 -28.895876 8.564478 1 3137 1 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 0 42.209637 -24.005955 15.332207 1 3138 1 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 0 42.49653 -22.625038 15.707256 1 3139 1 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 0 42.34175 -22.415474 17.203213 1 3140 1 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 0 41.699135 -23.207294 17.900404 1 3141 1 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 0 41.57457 -21.667507 14.937229 1 3142 1 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 0 41.67267 -21.845348 13.458469 1 3143 1 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 0 42.685555 -21.270487 12.714522 1 3144 1 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 0 40.91784 -22.543556 12.591492 1 3145 1 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 0 42.539288 -21.621197 11.448954 1 3146 1 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 0 41.470592 -22.387066 11.343957 1 3147 1 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 0 42.910084 -21.30469 17.70254 1 3148 1 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 0 42.92461 -21.040272 19.131908 1 3149 1 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 0 42.043682 -19.860561 19.554075 1 3150 1 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 0 41.171516 -20.01492 20.408892 1 3151 1 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 0 44.360924 -20.784687 19.607605 1 3152 1 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 0 44.45711 -20.436344 21.096767 1 3153 1 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 0 45.911644 -20.179085 21.494259 1 3154 1 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 0 45.99311 -19.747719 22.967857 1 3155 1 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 0 47.386276 -19.452045 23.366789 1 3156 1 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 0 42.261627 -18.675232 18.945734 1 3157 1 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 0 41.575317 -17.464315 19.378216 1 3158 1 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 0 40.31929 -17.190655 18.554333 1 3159 1 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 0 40.384235 -17.055103 17.32711 1 3160 1 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 0 42.514236 -16.237988 19.328915 1 3161 1 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 0 41.81485 -15.006611 19.87344 1 3162 1 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 0 43.79104 -16.517048 20.114939 1 3163 1 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 0 39.18502 -17.102505 19.236 1 3164 1 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 0 37.90213 -16.789028 18.610283 1 3165 1 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 0 37.41227 -15.464867 19.176912 1 3166 1 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 0 37.30576 -15.307014 20.393167 1 3167 1 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 0 36.88723 -17.910778 18.865158 1 3168 1 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 0 37.246902 -19.163239 18.103304 1 3169 1 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 0 38.168427 -20.059978 18.614754 1 3170 1 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 0 36.714645 -19.405127 16.846968 1 3171 1 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 0 38.545868 -21.182955 17.894379 1 3172 1 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 0 37.082134 -20.52566 16.11971 1 3173 1 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 0 38.00125 -21.408422 16.651985 1 3174 1 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 0 38.38073 -22.506939 15.932954 1 3175 1 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 0 37.13138 -14.512344 18.278353 1 3176 1 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 0 36.754147 -13.179811 18.721266 1 3177 1 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 0 35.626053 -12.583563 17.885145 1 3178 1 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 0 35.530586 -12.829453 16.685017 1 3179 1 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 0 37.966187 -12.247766 18.68935 1 3180 1 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 0 34.726974 -11.822695 18.553637 1 3181 1 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 0 33.71188 -11.052067 17.845951 1 3182 1 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 0 33.980698 -9.588169 18.176285 1 3183 1 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 0 34.13525 -9.2121 19.346853 1 3184 1 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 0 32.286125 -11.451838 18.238213 1 3185 1 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 0 31.778048 -11.112469 19.920475 1 3186 1 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 0 34.088013 -8.749678 17.117622 1 3187 1 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 0 34.362442 -7.324582 17.265558 1 3188 1 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 0 33.08789 -6.540718 16.960701 1 3189 1 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 0 32.48288 -6.7196674 15.901022 1 3190 1 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 0 35.49192 -6.894664 16.32974 1 3191 1 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 0 35.90329 -5.442258 16.487911 1 3192 1 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 0 36.9983 -5.053082 15.513606 1 3193 1 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 0 38.170486 -4.952724 15.935982 1 3194 1 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 0 36.674263 -4.8758736 14.324116 1 3195 1 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 0 32.69481 -5.688785 17.888514 1 3196 1 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 0 31.43332 -4.9706717 17.781635 1 3197 1 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 0 31.652096 -3.4710412 17.600266 1 3198 1 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 0 32.401985 -2.8482919 18.354866 1 3199 1 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 0 30.556644 -5.2219505 19.029148 1 3200 1 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 0 29.275124 -4.392934 18.964653 1 3201 1 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 0 30.229591 -6.7011404 19.15092 1 3202 1 +ATOM N N . THR B0 2 197 . 197 THR B0 N 0 30.964428 -2.9099364 16.583187 1 3203 1 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 0 30.990032 -1.4768773 16.32882 1 3204 1 +ATOM C C . THR B0 2 197 . 197 THR B0 C 0 29.568623 -0.9503351 16.520638 1 3205 1 +ATOM O O . THR B0 2 197 . 197 THR B0 O 0 28.618643 -1.5116429 15.979935 1 3206 1 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 0 31.478634 -1.1678727 14.905371 1 3207 1 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 0 32.791275 -1.7186449 14.730132 1 3208 1 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 0 31.52246 0.3315684 14.64929 1 3209 1 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 0 29.422825 0.12482145 17.297546 1 3210 1 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 0 28.111595 0.70564306 17.588528 1 3211 1 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 0 28.282713 2.1671848 17.977388 1 3212 1 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 0 29.318714 2.5532184 18.523565 1 3213 1 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 0 27.410643 -0.06451677 18.715523 1 3214 1 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 0 26.02239 0.40759578 18.990005 1 3215 1 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 0 25.719082 1.2959119 20.003218 1 3216 1 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 0 24.850323 0.11530827 18.380732 1 3217 1 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 0 24.423193 1.5296222 19.99272 1 3218 1 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 0 23.869629 0.8274529 19.026741 1 3219 1 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 0 27.266949 2.975651 17.685148 1 3220 1 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 0 27.300615 4.41327 17.959965 1 3221 1 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 0 27.594301 4.7192287 19.433773 1 3222 1 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 0 28.239914 5.7252827 19.748041 1 3223 1 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 0 25.96946 5.046938 17.550228 1 3224 1 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 0 25.90529 6.549918 17.78687 1 3225 1 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 0 24.56289 7.1315856 17.398129 1 3226 1 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 0 23.80553 6.515623 16.648811 1 3227 1 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 0 24.255009 8.324028 17.898598 1 3228 1 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 0 27.122738 3.8514304 20.32548 1 3229 1 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 0 27.322922 4.0519886 21.752617 1 3230 1 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 0 28.704643 3.6833148 22.25732 1 3231 1 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 0 29.002705 3.88172 23.437416 1 3232 1 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 0 29.557518 3.160398 21.365726 1 3233 1 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 0 30.919785 2.7769737 21.72281 1 3234 1 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 0 31.905617 3.7460399 21.08311 1 3235 1 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 0 31.825083 4.013604 19.885403 1 3236 1 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 0 31.221292 1.3502971 21.246513 1 3237 1 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 0 30.330559 0.23479693 21.800453 1 3238 1 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 0 30.590027 -1.0708764 21.045702 1 3239 1 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 0 30.561611 0.048110276 23.292103 1 3240 1 +ATOM N N . SER B0 2 202 . 202 SER B0 N 0 32.816284 4.2883625 21.876698 1 3241 1 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 0 33.797585 5.236798 21.358545 1 3242 1 +ATOM C C . SER B0 2 202 . 202 SER B0 C 0 34.774204 4.562348 20.400871 1 3243 1 +ATOM O O . SER B0 2 202 . 202 SER B0 O 0 35.336967 5.227268 19.523125 1 3244 1 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 0 34.55744 5.890519 22.506266 1 3245 1 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 0 35.2349 4.937105 23.295368 1 3246 1 +ATOM N N . SER B0 2 203 . 203 SER B0 N 0 34.96889 3.266414 20.566078 1 3247 1 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 0 35.809525 2.4651341 19.67949 1 3248 1 +ATOM C C . SER B0 2 203 . 203 SER B0 C 0 35.28522 1.0389683 19.684849 1 3249 1 +ATOM O O . SER B0 2 203 . 203 SER B0 O 0 34.55714 0.6475071 20.597853 1 3250 1 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 0 37.27527 2.4959135 20.13737 1 3251 1 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 0 37.417137 1.9642769 21.440996 1 3252 1 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 0 35.593666 0.25698993 18.6374 1 3253 1 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 0 35.100082 -1.122016 18.59719 1 3254 1 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 0 35.504105 -1.9138806 19.836395 1 3255 1 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 0 36.60173 -1.7370409 20.360743 1 3256 1 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 0 35.75112 -1.6867678 17.330475 1 3257 1 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 0 35.958256 -0.4898149 16.45999 1 3258 1 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 0 36.344734 0.6045516 17.423885 1 3259 1 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 0 34.57115 -2.760066 20.302265 1 3260 1 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 0 34.81345 -3.6162071 21.460052 1 3261 1 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 0 34.966167 -5.0511417 20.975737 1 3262 1 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 0 34.178062 -5.518882 20.147701 1 3263 1 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 0 33.660004 -3.5189943 22.483416 1 3264 1 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 0 33.782276 -4.6219635 23.540382 1 3265 1 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 0 33.662926 -2.1524448 23.146645 1 3266 1 +ATOM N N . THR B0 2 206 . 206 THR B0 N 0 35.97864 -5.7462077 21.498121 1 3267 1 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 0 36.217575 -7.133931 21.120926 1 3268 1 +ATOM C C . THR B0 2 206 . 206 THR B0 C 0 36.093575 -8.042677 22.338287 1 3269 1 +ATOM O O . THR B0 2 206 . 206 THR B0 O 0 36.666756 -7.760682 23.38808 1 3270 1 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 0 37.61715 -7.3047338 20.497896 1 3271 1 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 0 37.704872 -6.5342536 19.301651 1 3272 1 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 0 37.888065 -8.773032 20.160309 1 3273 1 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 0 35.31215 -9.109168 22.18354 1 3274 1 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 0 35.20781 -10.160809 23.195858 1 3275 1 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 0 35.779377 -11.417142 22.566849 1 3276 1 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 0 35.48745 -11.723677 21.409359 1 3277 1 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 0 33.76329 -10.391182 23.62423 1 3278 1 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 0 33.170845 -9.239883 24.442856 1 3279 1 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 0 33.80792 -9.145376 25.818525 1 3280 1 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 0 33.162445 -8.022797 26.631039 1 3281 1 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 0 33.754845 -7.912169 27.978195 1 3282 1 +ATOM N N . SER B0 2 208 . 208 SER B0 N 0 36.616016 -12.146101 23.325096 1 3283 1 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 0 37.269882 -13.321385 22.756765 1 3284 1 +ATOM C C . SER B0 2 208 . 208 SER B0 C 0 37.51088 -14.398007 23.809975 1 3285 1 +ATOM O O . SER B0 2 208 . 208 SER B0 O 0 37.381874 -14.15092 25.010704 1 3286 1 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 0 38.606834 -12.927362 22.110935 1 3287 1 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 0 39.517273 -12.451699 23.081038 1 3288 1 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 0 37.85871 -15.582518 23.33606 1 3289 1 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 0 38.244965 -16.683828 24.212713 1 3290 1 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 0 39.27939 -17.540037 23.490849 1 3291 1 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 0 39.392662 -17.49123 22.25874 1 3292 1 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 0 37.03668 -17.53666 24.636303 1 3293 1 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 0 36.403 -18.334217 23.520527 1 3294 1 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 0 35.34574 -17.816147 22.79904 1 3295 1 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 0 36.862015 -19.602291 23.197237 1 3296 1 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 0 34.75276 -18.54515 21.774353 1 3297 1 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 0 36.279446 -20.334038 22.17294 1 3298 1 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 0 35.225815 -19.810247 21.46214 1 3299 1 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 0 40.024628 -18.289259 24.26922 1 3300 1 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 0 40.988922 -19.23883 23.720516 1 3301 1 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 0 40.40323 -20.634638 23.853903 1 3302 1 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 0 39.998352 -21.031155 24.955158 1 3303 1 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 0 42.323933 -19.16211 24.474651 1 3304 1 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 0 43.027508 -17.835625 24.297136 1 3305 1 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 0 42.834793 -17.156504 23.294306 1 3306 1 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 0 43.860172 -17.456459 25.261185 1 3307 1 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 0 40.326897 -21.377823 22.738968 1 3308 1 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 0 39.742825 -22.717113 22.738022 1 3309 1 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 0 40.435905 -23.599373 23.778126 1 3310 1 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 0 41.665077 -23.680674 23.819038 1 3311 1 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 0 39.84932 -23.360668 21.347221 1 3312 1 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 0 39.24754 -24.75546 21.26882 1 3313 1 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 0 39.475315 -25.400742 19.904112 1 3314 1 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 0 40.878067 -25.358814 19.50415 1 3315 1 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 0 41.804184 -26.182945 19.960789 1 3316 1 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 0 43.05705 -26.07086 19.534462 1 3317 1 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 0 41.486816 -27.128407 20.818272 1 3318 1 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 0 39.64691 -24.226671 24.619036 1 3319 1 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 0 40.15623 -25.133621 25.629625 1 3320 1 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 0 40.59473 -24.480982 26.931149 1 3321 1 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 0 41.01235 -25.188866 27.85664 1 3322 1 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 0 40.505146 -23.173435 27.017714 1 3323 1 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 0 40.908062 -22.481619 28.231413 1 3324 1 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 0 39.685513 -21.951668 28.997849 1 3325 1 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 0 38.5719 -21.950804 28.482712 1 3326 1 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 0 41.83299 -21.296951 27.90114 1 3327 1 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 0 43.133064 -21.739382 27.269474 1 3328 1 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 0 44.043533 -20.567184 26.954447 1 3329 1 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 0 45.107178 -20.790375 26.357006 1 3330 1 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 0 43.706703 -19.413685 27.2988 1 3331 1 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 0 39.839615 -21.508362 30.119244 1 3332 1 +ATOM N N . SER C0 3 1 . 1 SER C0 N 0 -36.26899 22.941046 10.101897 1 3333 1 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 0 -35.590412 23.294247 8.852926 1 3334 1 +ATOM C C . SER C0 3 1 . 1 SER C0 C 0 -35.341072 24.794605 8.758959 1 3335 1 +ATOM O O . SER C0 3 1 . 1 SER C0 O 0 -36.100502 25.59511 9.315717 1 3336 1 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 0 -36.41557 22.844612 7.6546755 1 3337 1 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 0 -36.54009 21.436476 7.6080027 1 3338 1 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 0 -34.268158 25.146568 8.078579 1 3339 1 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 0 -33.94711 26.552074 7.8840847 1 3340 1 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 0 -34.926163 27.17131 6.893035 1 3341 1 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 0 -35.417305 26.493198 5.9832535 1 3342 1 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 0 -32.51593 26.713951 7.357887 1 3343 1 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 0 -31.375673 26.268936 8.285446 1 3344 1 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 0 -30.036652 26.452295 7.5843167 1 3345 1 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 0 -31.406109 27.021013 9.597859 1 3346 1 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 0 -35.184803 28.469505 7.0481014 1 3347 1 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 0 -36.040672 29.199501 6.1225204 1 3348 1 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 0 -35.459038 30.587505 5.8941307 1 3349 1 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 0 -34.369614 30.90947 6.393402 1 3350 1 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 0 -37.478317 29.288713 6.660281 1 3351 1 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 0 -37.58113 29.911171 8.043112 1 3352 1 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 0 -36.62182 30.566967 8.4931555 1 3353 1 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 0 -38.638153 29.748184 8.669739 1 3354 1 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 0 -36.163063 31.442345 5.1210957 1 3355 1 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 0 -35.65416 32.765602 4.786648 1 3356 1 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 0 -35.41706 33.6388 6.0240765 1 3357 1 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 0 -34.531063 34.4964 6.018629 1 3358 1 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 0 -36.62456 33.484436 3.8376288 1 3359 1 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 0 -36.683075 32.854195 2.4587283 1 3360 1 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 0 -37.56742 33.637974 1.4956815 1 3361 1 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 0 -37.68818 33.231636 0.33516517 1 3362 1 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 0 -38.153053 34.671394 1.9102263 1 3363 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 -36.18683 33.397083 7.0801525 1 3364 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 -36.050434 34.193317 8.290034 1 3365 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 -34.766777 33.875443 9.044765 1 3366 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 -34.112694 34.78105 9.579451 1 3367 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 -37.259888 33.96644 9.215412 1 3368 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 -37.18612 34.71289 10.538223 1 3369 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 -38.431767 34.49096 11.368398 1 3370 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 -38.314026 35.1261 12.74307 1 3371 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 -38.163475 36.599686 12.65691 1 3372 1 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 0 -34.351753 32.6117 9.05144 1 3373 1 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 0 -33.203583 32.181675 9.836826 1 3374 1 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 0 -31.986454 31.76525 9.0035095 1 3375 1 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 0 -31.032257 31.20678 9.545788 1 3376 1 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 0 -33.616943 31.024197 10.759478 1 3377 1 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 0 -34.735405 31.408348 11.712057 1 3378 1 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 0 -34.61016 32.377968 12.4524975 1 3379 1 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 0 -35.83439 30.660776 11.704863 1 3380 1 +ATOM N N . SER C0 3 7 . 7 SER C0 N 0 -32.01021 32.06185 7.695357 1 3381 1 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 0 -30.89996 31.642006 6.840908 1 3382 1 +ATOM C C . SER C0 3 7 . 7 SER C0 C 0 -30.664341 32.620995 5.69352 1 3383 1 +ATOM O O . SER C0 3 7 . 7 SER C0 O 0 -31.495686 33.484306 5.4148245 1 3384 1 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 0 -31.159973 30.243876 6.28596 1 3385 1 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 0 -32.27253 30.25048 5.4218245 1 3386 1 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 0 -29.519371 32.45013 5.040409 1 3387 1 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 0 -29.165783 33.22223 3.8610342 1 3388 1 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 0 -29.083582 32.23771 2.6941748 1 3389 1 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 0 -28.468327 31.164528 2.8232493 1 3390 1 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 0 -27.813623 33.948288 4.0450687 1 3391 1 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 0 -27.403248 34.647312 2.760494 1 3392 1 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 0 -27.897308 34.945595 5.1950083 1 3393 1 +ATOM N N . SER C0 3 9 . 9 SER C0 N 0 -29.70318 32.571434 1.5684748 1 3394 1 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 0 -29.702408 31.709446 0.396025 1 3395 1 +ATOM C C . SER C0 3 9 . 9 SER C0 C 0 -28.537096 32.070442 -0.5263884 1 3396 1 +ATOM O O . SER C0 3 9 . 9 SER C0 O 0 -28.32983 33.24602 -0.83863163 1 3397 1 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 0 -31.027988 31.832127 -0.35330915 1 3398 1 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 0 -31.063194 30.962776 -1.4649552 1 3399 1 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 0 -27.762184 31.064724 -0.9380846 1 3400 1 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 0 -26.619751 31.271301 -1.822071 1 3401 1 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 0 -26.83381 30.455278 -3.0966692 1 3402 1 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 0 -27.067183 29.241013 -3.0244176 1 3403 1 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 0 -25.295582 30.850191 -1.1406072 1 3404 1 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 0 -24.124966 31.020935 -2.091682 1 3405 1 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 0 -25.071896 31.651972 0.1417577 1 3406 1 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 0 -26.746292 31.119385 -4.261687 1 3407 1 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 0 -26.895046 30.436092 -5.548072 1 3408 1 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 0 -25.619335 29.659962 -5.8751354 1 3409 1 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 0 -24.50688 30.170088 -5.6849794 1 3410 1 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 0 -27.190481 31.44386 -6.6596026 1 3411 1 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 0 -28.573442 32.05911 -6.5436106 1 3412 1 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 0 -29.503868 31.348452 -6.110814 1 3413 1 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 0 -28.727516 33.242306 -6.892971 1 3414 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 -25.77955 28.445456 -6.3622394 1 3415 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 -24.660507 27.570995 -6.68931 1 3416 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 -24.715431 27.136168 -8.151946 1 3417 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 -25.772552 27.180676 -8.775896 1 3418 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 -24.683914 26.320623 -5.807261 1 3419 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 -24.624355 26.52314 -4.296163 1 3420 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 -24.891224 25.197937 -3.5969663 1 3421 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 -23.278381 27.099485 -3.8898084 1 3422 1 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 0 -23.56783 26.693096 -8.70665 1 3423 1 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 0 -23.57862 26.139149 -10.061821 1 3424 1 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 0 -24.502522 24.92075 -10.112883 1 3425 1 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 0 -24.672031 24.224396 -9.106461 1 3426 1 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 0 -22.117767 25.745525 -10.300783 1 3427 1 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 0 -21.331738 26.634693 -9.380153 1 3428 1 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 0 -22.197065 26.770191 -8.160748 1 3429 1 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 0 -25.097666 24.664238 -11.279166 1 3430 1 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 0 -25.96659 23.510998 -11.421336 1 3431 1 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 0 -27.405666 23.780773 -11.025175 1 3432 1 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 0 -28.146267 22.834545 -10.73554 1 3433 1 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 0 -27.793331 25.064981 -11.031307 1 3434 1 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 0 -29.147741 25.477482 -10.667485 1 3435 1 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 0 -29.571093 24.926563 -9.302622 1 3436 1 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 0 -30.636515 24.348446 -9.133208 1 3437 1 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 0 -30.14574 25.046373 -11.747168 1 3438 1 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 0 -29.859543 25.670805 -13.096923 1 3439 1 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 0 -30.88193 25.30151 -14.152254 1 3440 1 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 0 -30.775043 25.818047 -15.281906 1 3441 1 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 0 -31.791967 24.499786 -13.868437 1 3442 1 +ATOM N N . MET C0 3 16 . 16 MET C0 N 0 -28.661484 25.091291 -8.338902 1 3443 1 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 0 -28.920952 24.683638 -6.9642053 1 3444 1 +ATOM C C . MET C0 3 16 . 16 MET C0 C 0 -28.761637 25.883575 -6.04895 1 3445 1 +ATOM O O . MET C0 3 16 . 16 MET C0 O 0 -28.138334 26.887047 -6.4066715 1 3446 1 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 0 -27.956028 23.567316 -6.526064 1 3447 1 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 0 -28.194342 22.23655 -7.210848 1 3448 1 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 0 -27.123228 20.933825 -6.562351 1 3449 1 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 0 -25.545109 21.46271 -7.2199373 1 3450 1 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 0 -29.325596 25.779566 -4.865573 1 3451 1 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 0 -29.181398 26.811102 -3.8424711 1 3452 1 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 0 -28.883636 26.139465 -2.5139952 1 3453 1 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 0 -29.36615 25.035955 -2.2435818 1 3454 1 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 0 -30.46319 27.651386 -3.7103982 1 3455 1 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 0 -30.800575 28.47446 -4.938251 1 3456 1 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 0 -32.06829 29.291662 -4.709327 1 3457 1 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 0 -32.417225 30.112389 -5.94265 1 3458 1 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 0 -33.644226 30.896406 -5.731851 1 3459 1 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 0 -28.07103 26.801008 -1.7004956 1 3460 1 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 0 -27.790058 26.28635 -0.36467212 1 3461 1 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 0 -28.25403 27.328384 0.64791614 1 3462 1 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 0 -28.053963 28.536203 0.45420033 1 3463 1 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 0 -26.28513 25.9509 -0.16854586 1 3464 1 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 0 -26.051584 25.327263 1.2144094 1 3465 1 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 0 -25.411667 27.18821 -0.34373266 1 3466 1 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 0 -28.908672 26.88802 1.7011303 1 3467 1 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 0 -29.32045 27.767372 2.7848206 1 3468 1 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 0 -28.269087 27.680105 3.8844113 1 3469 1 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 0 -27.91016 26.578539 4.313343 1 3470 1 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 0 -30.688679 27.349731 3.340189 1 3471 1 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 0 -31.877998 27.432388 2.383565 1 3472 1 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 0 -33.144875 26.97558 3.0986671 1 3473 1 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 0 -32.041634 28.844563 1.8407576 1 3474 1 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 0 -27.767378 28.840908 4.3179526 1 3475 1 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 0 -26.755747 28.91617 5.364852 1 3476 1 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 0 -27.374132 29.584433 6.59006 1 3477 1 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 0 -27.961912 30.669605 6.4791965 1 3478 1 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 0 -25.518215 29.72067 4.904852 1 3479 1 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 0 -24.424158 29.670986 5.9646072 1 3480 1 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 0 -25.008331 29.194939 3.56672 1 3481 1 +ATOM N N . SER C0 3 21 . 21 SER C0 N 0 -27.239658 28.952341 7.752105 1 3482 1 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 0 -27.800282 29.522245 8.96932 1 3483 1 +ATOM C C . SER C0 3 21 . 21 SER C0 C 0 -27.13565 30.861656 9.283539 1 3484 1 +ATOM O O . SER C0 3 21 . 21 SER C0 O 0 -25.930256 31.030361 9.083358 1 3485 1 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 0 -27.627972 28.556559 10.152441 1 3486 1 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 0 -26.257992 28.342327 10.451469 1 3487 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 -27.929192 31.822014 9.750687 1 3488 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 -27.400024 33.136623 10.100975 1 3489 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 -26.504797 33.088837 11.331934 1 3490 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 -25.58884 33.902565 11.474234 1 3491 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 -28.549854 34.11805 10.329294 1 3492 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 -29.316078 34.467392 9.058058 1 3493 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 -30.438778 35.45542 9.355899 1 3494 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 -31.195808 35.814148 8.077535 1 3495 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 -32.317352 36.734917 8.352757 1 3496 1 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 0 -26.780964 32.13716 12.241441 1 3497 1 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 0 -26.004221 32.002045 13.468683 1 3498 1 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 0 -25.359879 30.622147 13.555679 1 3499 1 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 0 -25.878918 29.650429 12.996504 1 3500 1 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 0 -26.891808 32.23069 14.697819 1 3501 1 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 0 -27.544582 33.611465 14.719708 1 3502 1 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 0 -28.46674 33.80208 15.899754 1 3503 1 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 0 -28.97456 34.924194 16.092247 1 3504 1 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 0 -28.68999 32.832443 16.66248 1 3505 1 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 0 -24.223904 30.550411 14.263056 1 3506 1 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 0 -23.542223 29.275387 14.475225 1 3507 1 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 0 -24.345818 28.400604 15.432522 1 3508 1 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 0 -25.070738 28.9163 16.30178 1 3509 1 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 0 -22.129707 29.49581 15.030736 1 3510 1 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 0 -21.151268 30.08421 14.027147 1 3511 1 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 0 -19.752579 30.186287 14.637299 1 3512 1 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 0 -18.750772 30.684122 13.603544 1 3513 1 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 0 -17.38838 30.775604 14.1696415 1 3514 1 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 0 -24.188295 27.07003 15.277538 1 3515 1 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 0 -24.876484 26.150946 16.169165 1 3516 1 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 0 -24.061459 25.962595 17.44903 1 3517 1 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 0 -23.069372 26.661655 17.663599 1 3518 1 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 0 -25.14152 24.802086 15.475117 1 3519 1 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 0 -23.875729 24.10955 15.004511 1 3520 1 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 0 -22.801102 24.27473 15.592048 1 3521 1 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 0 -23.986786 23.312801 13.95131 1 3522 1 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 0 -24.476858 25.055174 18.31591 1 3523 1 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 0 -23.804552 24.83771 19.586391 1 3524 1 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 0 -22.359385 24.372213 19.430637 1 3525 1 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 0 -21.565212 24.490643 20.367992 1 3526 1 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 0 -24.577053 23.815578 20.422802 1 3527 1 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 0 -24.606625 22.419155 19.81597 1 3528 1 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 0 -25.345682 21.442356 20.723923 1 3529 1 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 0 -25.35603 20.049156 20.123466 1 3530 1 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 0 -26.040094 19.088394 21.011183 1 3531 1 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 0 -21.999802 23.84195 18.247725 1 3532 1 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 0 -20.642426 23.389141 17.98239 1 3533 1 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 0 -19.788166 24.462969 17.296654 1 3534 1 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 0 -18.664125 24.184998 16.884953 1 3535 1 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 0 -20.663609 22.123493 17.116306 1 3536 1 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 0 -21.383121 20.970016 17.789331 1 3537 1 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 0 -21.155945 20.754406 19.00013 1 3538 1 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 0 -22.178452 20.289242 17.110395 1 3539 1 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 0 -20.316696 25.68235 17.19629 1 3540 1 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 0 -19.586884 26.775288 16.58702 1 3541 1 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 0 -19.470196 26.69155 15.078888 1 3542 1 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 0 -18.517447 27.2216 14.495442 1 3543 1 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 0 -20.428825 26.03928 14.429575 1 3544 1 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 0 -20.420666 25.88914 12.972982 1 3545 1 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 0 -21.737806 26.373625 12.378673 1 3546 1 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 0 -22.76213 26.423454 13.0702305 1 3547 1 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 0 -20.174225 24.429073 12.5815735 1 3548 1 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 0 -18.818653 23.895092 13.023605 1 3549 1 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 0 -18.630451 22.448053 12.588367 1 3550 1 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 0 -17.27213 21.920382 13.021177 1 3551 1 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 0 -17.07526 20.521818 12.606985 1 3552 1 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 0 -21.700329 26.714832 11.084697 1 3553 1 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 0 -22.902231 27.13538 10.379824 1 3554 1 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 0 -23.601612 25.919434 9.788929 1 3555 1 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 0 -22.94294 25.014296 9.2645445 1 3556 1 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 0 -22.562365 28.129477 9.267677 1 3557 1 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 0 -22.01057 29.44115 9.786411 1 3558 1 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 0 -20.637707 29.651562 9.881603 1 3559 1 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 0 -22.861357 30.463947 10.1778 1 3560 1 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 0 -20.129469 30.843159 10.36585 1 3561 1 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 0 -22.359022 31.661697 10.668535 1 3562 1 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 0 -20.993624 31.842976 10.757889 1 3563 1 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 0 -20.493187 33.024643 11.245539 1 3564 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 -24.913818 25.899044 9.870325 1 3565 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 -25.696943 24.803215 9.3052435 1 3566 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 -25.956059 25.073065 7.824292 1 3567 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 -26.241962 26.209026 7.430648 1 3568 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 -27.031433 24.656036 10.037365 1 3569 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 -26.856876 24.186611 11.46439 1 3570 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 -26.018696 23.291466 11.697231 1 3571 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 -27.557531 24.714916 12.35003 1 3572 1 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 0 -25.828266 24.034924 6.9976854 1 3573 1 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 0 -26.063694 24.123528 5.564482 1 3574 1 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 0 -27.189964 23.16945 5.17758 1 3575 1 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 0 -27.224392 22.029266 5.648189 1 3576 1 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 0 -24.800945 23.751495 4.775268 1 3577 1 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 0 -23.493622 24.479195 5.10705 1 3578 1 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 0 -22.356295 23.888855 4.280914 1 3579 1 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 0 -23.623283 25.9715 4.860503 1 3580 1 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 0 -28.096283 23.63206 4.311409 1 3581 1 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 0 -29.174492 22.788465 3.810735 1 3582 1 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 0 -29.339859 23.059872 2.3134222 1 3583 1 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 0 -29.359854 24.217333 1.8904157 1 3584 1 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 0 -30.511515 23.059212 4.53413 1 3585 1 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 0 -30.403896 22.694717 6.0182624 1 3586 1 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 0 -31.642641 22.24991 3.878667 1 3587 1 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 0 -31.678339 22.960503 6.810339 1 3588 1 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 0 -29.403019 22.001698 1.5242507 1 3589 1 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 0 -29.623087 22.125538 0.089198135 1 3590 1 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 0 -30.574842 21.022663 -0.35966533 1 3591 1 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 0 -30.590506 19.93782 0.21648127 1 3592 1 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 0 -28.305916 22.033358 -0.68021655 1 3593 1 +ATOM N N . THR C0 3 35 . 35 THR C0 N 0 -31.381306 21.316166 -1.3744855 1 3594 1 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 0 -32.301117 20.32267 -1.9156007 1 3595 1 +ATOM C C . THR C0 3 35 . 35 THR C0 C 0 -31.844067 19.95261 -3.3245888 1 3596 1 +ATOM O O . THR C0 3 35 . 35 THR C0 O 0 -31.727985 20.816256 -4.194033 1 3597 1 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 0 -33.73992 20.861362 -1.9531415 1 3598 1 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 0 -34.150475 21.20249 -0.62375593 1 3599 1 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 0 -34.695488 19.81688 -2.5204487 1 3600 1 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 0 -31.550133 18.67709 -3.5411954 1 3601 1 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 0 -31.09415 18.170128 -4.82779 1 3602 1 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 0 -31.989944 16.9954 -5.208219 1 3603 1 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 0 -32.09533 16.028618 -4.445636 1 3604 1 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 0 -29.620342 17.722607 -4.7718916 1 3605 1 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 0 -29.185257 17.168688 -6.1224203 1 3606 1 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 0 -28.718494 18.893148 -4.365851 1 3607 1 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 0 -32.63275 17.084764 -6.3739824 1 3608 1 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 0 -33.534187 16.044209 -6.8492737 1 3609 1 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 0 -34.57376 15.701448 -5.776496 1 3610 1 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 0 -34.842575 14.53196 -5.484516 1 3611 1 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 0 -32.73972 14.792728 -7.2586985 1 3612 1 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 0 -33.57745 13.796349 -8.033638 1 3613 1 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 0 -34.54613 14.218765 -8.700896 1 3614 1 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 0 -33.257553 12.585451 -7.983259 1 3615 1 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 0 -35.136322 16.73515 -5.1774154 1 3616 1 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 0 -36.164772 16.64381 -4.149946 1 3617 1 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 0 -35.691143 15.9693775 -2.8603222 1 3618 1 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 0 -36.506546 15.576769 -2.0300436 1 3619 1 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 0 -37.413612 15.93337 -4.691309 1 3620 1 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 0 -38.050976 16.645369 -5.8759794 1 3621 1 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 0 -39.305504 15.92425 -6.3461075 1 3622 1 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 0 -39.91412 16.64215 -7.5483317 1 3623 1 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 0 -41.12421 15.940665 -8.03141 1 3624 1 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 0 -34.379997 15.83296 -2.692796 1 3625 1 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 0 -33.81363 15.268411 -1.4723492 1 3626 1 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 0 -33.114212 16.3736 -0.69065934 1 3627 1 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 0 -32.297096 17.11118 -1.2537796 1 3628 1 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 0 -32.813675 14.155375 -1.8031862 1 3629 1 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 0 -32.081314 13.538728 -0.5987098 1 3630 1 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 0 -30.92918 12.671192 -1.067419 1 3631 1 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 0 -33.056 12.737221 0.2530651 1 3632 1 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 0 -33.44291 16.49733 0.58930147 1 3633 1 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 0 -32.8011 17.503502 1.4250641 1 3634 1 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 0 -31.473425 16.977158 1.961226 1 3635 1 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 0 -31.422792 15.914015 2.5831954 1 3636 1 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 0 -33.71321 17.898407 2.5949066 1 3637 1 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 0 -33.153408 19.029457 3.4403875 1 3638 1 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 0 -34.11068 19.463274 4.5362573 1 3639 1 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 0 -34.92718 20.37467 4.2984324 1 3640 1 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 0 -34.05356 18.86655 5.6358833 1 3641 1 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 0 -30.394066 17.711306 1.6856091 1 3642 1 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 0 -29.06718 17.371874 2.167258 1 3643 1 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 0 -28.691181 18.336239 3.286802 1 3644 1 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 0 -29.033718 19.517736 3.23287 1 3645 1 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 0 -28.033232 17.465107 1.0408058 1 3646 1 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 0 -28.352562 16.71347 -0.25316876 1 3647 1 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 0 -27.251682 16.946394 -1.2808747 1 3648 1 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 0 -28.536995 15.228284 0.0153207835 1 3649 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 -27.982466 17.838856 4.288614 1 3650 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 -27.58627 18.65633 5.427311 1 3651 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 -26.095356 18.535875 5.705087 1 3652 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 -25.489239 17.49149 5.469635 1 3653 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 -28.375637 18.262056 6.681044 1 3654 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 -29.867428 18.515076 6.5749397 1 3655 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 -30.5644 18.183323 7.88336 1 3656 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 -32.056732 18.497677 7.791343 1 3657 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 -32.744537 18.218056 9.063318 1 3658 1 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 0 -25.525934 19.609993 6.2221103 1 3659 1 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 0 -24.119213 19.624115 6.594268 1 3660 1 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 0 -23.811144 20.833633 7.447524 1 3661 1 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 0 -24.694965 21.637135 7.7564087 1 3662 1 +ATOM N N . THR C0 3 44 . 44 THR C0 N 0 -22.528997 20.952316 7.8697453 1 3663 1 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 0 -22.081821 22.10167 8.645513 1 3664 1 +ATOM C C . THR C0 3 44 . 44 THR C0 C 0 -20.75996 22.605 8.078581 1 3665 1 +ATOM O O . THR C0 3 44 . 44 THR C0 O 0 -20.057682 21.878479 7.367985 1 3666 1 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 0 -21.89426 21.759901 10.1399 1 3667 1 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 0 -20.938597 20.702831 10.270424 1 3668 1 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 0 -23.203571 21.347958 10.7808075 1 3669 1 +ATOM N N . SER C0 3 45 . 45 SER C0 N 0 -20.4356 23.84804 8.382242 1 3670 1 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 0 -19.210644 24.453465 7.8771486 1 3671 1 +ATOM C C . SER C0 3 45 . 45 SER C0 C 0 -18.719109 25.53711 8.827511 1 3672 1 +ATOM O O . SER C0 3 45 . 45 SER C0 O 0 -19.521072 26.187477 9.510223 1 3673 1 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 0 -19.438549 25.048054 6.484437 1 3674 1 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 0 -18.286888 25.725166 6.0239563 1 3675 1 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 0 -17.39193 25.743736 8.861598 1 3676 1 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 0 -16.817293 26.832924 9.647869 1 3677 1 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 0 -16.962452 28.16293 8.910887 1 3678 1 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 0 -16.740162 29.222336 9.493811 1 3679 1 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 0 -15.33197 26.57017 9.9343605 1 3680 1 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 0 -15.118898 25.482943 10.964959 1 3681 1 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 0 -15.862181 25.450935 11.968228 1 3682 1 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 0 -14.187281 24.667362 10.777684 1 3683 1 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 0 -17.317451 28.098383 7.6379604 1 3684 1 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 0 -17.497458 29.296799 6.8199043 1 3685 1 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 0 -18.983929 29.570633 6.6246443 1 3686 1 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 0 -19.790657 28.637829 6.594307 1 3687 1 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 0 -16.807747 29.128382 5.4616446 1 3688 1 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 0 -15.312965 28.831226 5.578925 1 3689 1 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 0 -14.67874 28.560957 4.219996 1 3690 1 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 0 -14.522941 29.83839 3.419946 1 3691 1 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 0 -13.77734 29.607008 2.160336 1 3692 1 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 0 -19.338356 30.857368 6.4689555 1 3693 1 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 0 -20.73703 31.22522 6.305024 1 3694 1 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 0 -21.078484 31.640917 4.873458 1 3695 1 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 0 -22.101524 32.281013 4.6383805 1 3696 1 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 0 -21.120272 32.346046 7.283524 1 3697 1 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 0 -20.428905 33.66989 6.9786468 1 3698 1 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 0 -19.531746 33.748314 6.133413 1 3699 1 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 0 -20.833265 34.727806 7.67462 1 3700 1 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 0 -20.217278 31.252357 3.902366 1 3701 1 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 0 -20.42784 31.642345 2.5111542 1 3702 1 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 0 -21.155445 30.581257 1.6848059 1 3703 1 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 0 -21.387676 30.785688 0.49598935 1 3704 1 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 0 -19.095242 32.004627 1.8477495 1 3705 1 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 0 -18.182224 30.808779 1.6765878 1 3706 1 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 0 -18.39042 29.749657 2.2736127 1 3707 1 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 0 -17.153347 30.960058 0.8650856 1 3708 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 -21.502636 29.45751 2.2745867 1 3709 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 -22.192657 28.394508 1.5646278 1 3710 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 -21.317507 27.224659 1.1561558 1 3711 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 -21.835072 26.21255 0.66826844 1 3712 1 +ATOM N N . SER C0 3 51 . 51 SER C0 N 0 -19.99691 27.324675 1.3242935 1 3713 1 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 0 -19.096375 26.234863 0.9678475 1 3714 1 +ATOM C C . SER C0 3 51 . 51 SER C0 C 0 -19.145374 25.145393 2.0395548 1 3715 1 +ATOM O O . SER C0 3 51 . 51 SER C0 O 0 -19.419914 25.419735 3.2078803 1 3716 1 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 0 -17.663202 26.749485 0.7946526 1 3717 1 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 0 -17.150146 27.249851 2.0071914 1 3718 1 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 0 -18.883038 23.908215 1.6184964 1 3719 1 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 0 -18.891241 22.805122 2.5654154 1 3720 1 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 0 -19.385674 21.517647 1.942935 1 3721 1 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 0 -19.49361 21.394789 0.7247559 1 3722 1 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 0 -19.662071 20.540068 2.7968473 1 3723 1 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 0 -20.126387 19.231865 2.3573198 1 3724 1 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 0 -21.492512 18.94782 2.9810562 1 3725 1 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 0 -21.683128 19.15331 4.1844435 1 3726 1 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 0 -19.125462 18.122719 2.7575953 1 3727 1 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 0 -19.648634 16.758322 2.3404126 1 3728 1 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 0 -17.766033 18.387003 2.122685 1 3729 1 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 0 -22.439972 18.500664 2.1614118 1 3730 1 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 0 -23.782452 18.154526 2.6255617 1 3731 1 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 0 -24.081377 16.719723 2.222682 1 3732 1 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 0 -23.660568 16.268192 1.1502388 1 3733 1 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 0 -24.833275 19.091106 2.0258012 1 3734 1 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 0 -24.699543 20.585945 2.3267865 1 3735 1 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 0 -26.060463 21.264313 2.2658057 1 3736 1 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 0 -23.724445 21.2407 1.3546851 1 3737 1 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 0 -24.801716 16.016476 3.0667887 1 3738 1 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 0 -25.099632 14.6124 2.8052173 1 3739 1 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 0 -26.567396 14.284222 3.0955842 1 3740 1 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 0 -27.221987 14.959024 3.8904593 1 3741 1 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 0 -24.199469 13.704977 3.6552954 1 3742 1 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 0 -22.721554 13.846476 3.3431916 1 3743 1 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 0 -21.846594 12.9952755 4.2344174 1 3744 1 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 0 -21.116512 12.126324 3.7132306 1 3745 1 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 0 -21.892855 13.185994 5.455412 1 3746 1 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 0 -27.046547 13.2358885 2.4384694 1 3747 1 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 0 -28.407232 12.768675 2.639447 1 3748 1 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 0 -28.53761 11.316461 2.2237072 1 3749 1 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 0 -27.625332 10.750523 1.6120807 1 3750 1 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 0 -29.667995 10.706301 2.5602722 1 3751 1 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 0 -29.923965 9.3029785 2.2432313 1 3752 1 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 0 -31.274305 9.193405 1.5366015 1 3753 1 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 0 -32.277176 9.731651 2.0205188 1 3754 1 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 0 -29.92825 8.427509 3.5152738 1 3755 1 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 0 -30.160225 6.9661617 3.1529083 1 3756 1 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 0 -28.619993 8.592852 4.279434 1 3757 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 -31.286894 8.491148 0.39099038 1 3758 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 -32.53038 8.285437 -0.34886548 1 3759 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 -33.337208 7.134514 0.25452882 1 3760 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 -32.838303 6.390888 1.1133358 1 3761 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 -32.23758 8.005991 -1.8229712 1 3762 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 -31.682932 9.194002 -2.575903 1 3763 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 -31.606936 8.897725 -4.0718546 1 3764 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 -31.190367 10.131823 -4.84274 1 3765 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 -31.18882 9.882727 -6.295902 1 3766 1 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 0 -34.57744 6.9749312 -0.19799063 1 3767 1 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 0 -35.45373 5.922455 0.31684983 1 3768 1 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 0 -34.871334 4.5267057 0.09670491 1 3769 1 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 0 -35.084785 3.6299822 0.9150031 1 3770 1 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 0 -36.83515 6.032464 -0.32681704 1 3771 1 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 0 -34.130432 4.3338532 -1.0174615 1 3772 1 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 0 -33.53583 3.031128 -1.2949858 1 3773 1 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 0 -32.19525 2.8410468 -0.5782995 1 3774 1 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 0 -31.466429 1.8893327 -0.8669569 1 3775 1 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 0 -33.364464 2.819903 -2.8071065 1 3776 1 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 0 -32.38442 3.795362 -3.443181 1 3777 1 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 0 -31.798454 4.636018 -2.723977 1 3778 1 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 0 -32.188057 3.7134666 -4.6752577 1 3779 1 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 0 -31.885544 3.7647443 0.34576952 1 3780 1 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 0 -30.688765 3.7519748 1.1784638 1 3781 1 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 0 -29.402334 4.142299 0.44331488 1 3782 1 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 0 -28.316637 4.0426397 1.0092152 1 3783 1 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 0 -30.516552 2.4069753 1.8853099 1 3784 1 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 0 -31.6437 2.1001399 2.8560047 1 3785 1 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 0 -31.330938 0.8861543 3.7115316 1 3786 1 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 0 -32.454628 0.6533856 4.711042 1 3787 1 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 0 -32.165974 -0.49664134 5.585779 1 3788 1 +ATOM N N . SER C0 3 62 . 62 SER C0 N 0 -29.524027 4.573097 -0.8176684 1 3789 1 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 0 -28.350748 5.088046 -1.5069321 1 3790 1 +ATOM C C . SER C0 3 62 . 62 SER C0 C 0 -27.974968 6.4160795 -0.8489734 1 3791 1 +ATOM O O . SER C0 3 62 . 62 SER C0 O 0 -28.834145 7.138068 -0.33795112 1 3792 1 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 0 -28.62954 5.2775984 -3.0050921 1 3793 1 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 0 -29.702417 6.16542 -3.2353787 1 3794 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 -26.68829 6.7295 -0.8425553 1 3795 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 -26.179363 7.930156 -0.18707485 1 3796 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 -25.891289 9.018787 -1.2178407 1 3797 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 -25.408669 8.72887 -2.3251758 1 3798 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 -24.90371 7.6234064 0.5995256 1 3799 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 -24.99419 6.39711 1.503948 1 3800 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 -25.845364 6.6421504 2.7214823 1 3801 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 -25.882929 5.418052 3.6436386 1 3802 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 -24.55209 5.1046066 4.2146564 1 3803 1 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 0 -26.183212 10.26285 -0.8747218 1 3804 1 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 0 -25.934418 11.404954 -1.7460264 1 3805 1 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 0 -25.031391 12.396139 -1.0148779 1 3806 1 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 0 -25.261675 12.718118 0.15073562 1 3807 1 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 0 -27.250957 12.103756 -2.160759 1 3808 1 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 0 -26.958876 13.259081 -3.1054916 1 3809 1 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 0 -28.195213 11.1055155 -2.8118882 1 3810 1 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 0 -23.997923 12.866977 -1.7070599 1 3811 1 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 0 -23.037052 13.796579 -1.1242261 1 3812 1 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 0 -22.824772 14.972762 -2.0719066 1 3813 1 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 0 -22.518295 14.770031 -3.2484975 1 3814 1 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 0 -21.706482 13.087221 -0.8533087 1 3815 1 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 0 -20.626747 13.970495 -0.24894959 1 3816 1 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 0 -19.35426 13.160528 -0.029514384 1 3817 1 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 0 -18.229874 14.02129 0.5326755 1 3818 1 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 0 -17.001707 13.222172 0.735548 1 3819 1 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 0 -23.034037 16.185568 -1.56691 1 3820 1 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 0 -22.823433 17.404005 -2.338528 1 3821 1 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 0 -21.652145 18.177044 -1.7440426 1 3822 1 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 0 -21.671394 18.527212 -0.56034136 1 3823 1 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 0 -24.079033 18.287043 -2.320457 1 3824 1 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 0 -23.953981 19.66185 -2.985388 1 3825 1 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 0 -25.202063 20.496101 -2.7177172 1 3826 1 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 0 -23.71446 19.528381 -4.488158 1 3827 1 +ATOM N N . THR C0 3 67 . 67 THR C0 N 0 -20.621162 18.412533 -2.552033 1 3828 1 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 0 -19.461699 19.174377 -2.108622 1 3829 1 +ATOM C C . THR C0 3 67 . 67 THR C0 C 0 -19.458668 20.523651 -2.825728 1 3830 1 +ATOM O O . THR C0 3 67 . 67 THR C0 O 0 -19.507954 20.575737 -4.056223 1 3831 1 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 0 -18.154453 18.423443 -2.401832 1 3832 1 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 0 -18.187733 17.144848 -1.7580132 1 3833 1 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 0 -16.946762 19.206295 -1.9011042 1 3834 1 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 0 -19.431774 21.599762 -2.0475001 1 3835 1 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 0 -19.40865 22.955994 -2.5828114 1 3836 1 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 0 -18.01442 23.532211 -2.337473 1 3837 1 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 0 -17.56284 23.595806 -1.1927817 1 3838 1 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 0 -20.474995 23.838459 -1.896707 1 3839 1 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 0 -21.856836 23.179306 -2.0020506 1 3840 1 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 0 -20.48193 25.237747 -2.516396 1 3841 1 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 0 -22.895584 23.769001 -1.0637156 1 3842 1 +ATOM N N . SER C0 3 69 . 69 SER C0 N 0 -17.310896 23.92735 -3.4150805 1 3843 1 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 0 -15.9512205 24.428219 -3.3024206 1 3844 1 +ATOM C C . SER C0 3 69 . 69 SER C0 C 0 -15.889811 25.722492 -2.487924 1 3845 1 +ATOM O O . SER C0 3 69 . 69 SER C0 O 0 -16.865807 26.467373 -2.3992267 1 3846 1 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 0 -15.346218 24.65877 -4.686769 1 3847 1 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 0 -16.059284 25.657726 -5.405311 1 3848 1 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 0 -14.716157 25.985367 -1.8896286 1 3849 1 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 0 -14.530359 27.160364 -1.0462565 1 3850 1 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 0 -14.813817 28.468985 -1.7800426 1 3851 1 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 0 -15.319222 29.415188 -1.1811574 1 3852 1 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 0 -13.105213 27.186125 -0.47032896 1 3853 1 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 0 -12.893524 26.148523 0.6146216 1 3854 1 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 0 -13.882789 25.701897 1.2326291 1 3855 1 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 0 -11.723848 25.780535 0.8609048 1 3856 1 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 0 -14.480803 28.529282 -3.0927699 1 3857 1 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 0 -14.7246685 29.743639 -3.8639421 1 3858 1 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 0 -16.116352 29.770313 -4.497558 1 3859 1 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 0 -16.427717 30.686548 -5.254208 1 3860 1 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 0 -13.641716 29.934772 -4.940219 1 3861 1 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 0 -13.6591425 28.85192 -6.0031433 1 3862 1 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 0 -14.486933 27.912788 -5.922738 1 3863 1 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 0 -12.830658 28.931427 -6.934661 1 3864 1 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 0 -16.941017 28.775879 -4.189734 1 3865 1 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 0 -18.30785 28.62476 -4.6908293 1 3866 1 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 0 -18.381851 28.471447 -6.2095346 1 3867 1 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 0 -19.454363 28.618217 -6.795912 1 3868 1 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 0 -19.186169 29.809586 -4.2533517 1 3869 1 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 0 -19.205217 30.132708 -2.7622437 1 3870 1 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 0 -20.168179 31.286316 -2.4949918 1 3871 1 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 0 -19.588661 28.911373 -1.9482366 1 3872 1 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 0 -17.237295 28.161373 -6.839322 1 3873 1 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 0 -17.184639 28.051075 -8.28782 1 3874 1 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 0 -17.44434 26.667803 -8.841566 1 3875 1 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 0 -17.50413 26.485022 -10.058303 1 3876 1 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 0 -17.61369 25.680021 -7.9781322 1 3877 1 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 0 -17.82677 24.310692 -8.436844 1 3878 1 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 0 -18.610123 23.49791 -7.4091034 1 3879 1 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 0 -18.440657 23.6871 -6.20135 1 3880 1 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 0 -16.47074 23.642902 -8.702967 1 3881 1 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 0 -16.559902 22.242939 -9.272237 1 3882 1 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 0 -15.185948 21.652573 -9.547602 1 3883 1 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 0 -14.554722 21.95486 -10.557381 1 3884 1 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 0 -14.705402 20.837425 -8.619339 1 3885 1 +ATOM N N . THR C0 3 75 . 75 THR C0 N 0 -19.469738 22.61397 -7.9162936 1 3886 1 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 0 -20.168163 21.674381 -7.055602 1 3887 1 +ATOM C C . THR C0 3 75 . 75 THR C0 C 0 -19.910652 20.261889 -7.5748453 1 3888 1 +ATOM O O . THR C0 3 75 . 75 THR C0 O 0 -19.766148 20.048765 -8.783426 1 3889 1 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 0 -21.692251 21.915028 -7.0125685 1 3890 1 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 0 -22.242313 21.773098 -8.319925 1 3891 1 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 0 -22.016123 23.3028 -6.470931 1 3892 1 +ATOM N N . THR C0 3 76 . 76 THR C0 N 0 -19.821878 19.300995 -6.6468296 1 3893 1 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 0 -19.655367 17.901546 -6.997789 1 3894 1 +ATOM C C . THR C0 3 76 . 76 THR C0 C 0 -20.778973 17.132317 -6.3093085 1 3895 1 +ATOM O O . THR C0 3 76 . 76 THR C0 O 0 -20.889793 17.166473 -5.082943 1 3896 1 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 0 -18.290268 17.363531 -6.535362 1 3897 1 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 0 -17.245663 18.10643 -7.168051 1 3898 1 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 0 -18.137383 15.890944 -6.8960896 1 3899 1 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 0 -21.615446 16.461742 -7.110028 1 3900 1 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 0 -22.72673 15.682802 -6.5798054 1 3901 1 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 0 -22.443243 14.204309 -6.8337398 1 3902 1 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 0 -22.311628 13.777998 -7.9879665 1 3903 1 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 0 -24.045223 16.08936 -7.2463074 1 3904 1 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 0 -25.300037 15.376726 -6.7400665 1 3905 1 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 0 -26.480612 15.68293 -7.6545515 1 3906 1 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 0 -25.611973 15.780317 -5.305129 1 3907 1 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 0 -22.34156 13.4317875 -5.7660904 1 3908 1 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 0 -22.035679 12.011671 -5.8717136 1 3909 1 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 0 -23.14866 11.175547 -5.2492228 1 3910 1 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 0 -23.693274 11.527594 -4.201724 1 3911 1 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 0 -20.70525 11.685674 -5.179718 1 3912 1 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 0 -19.495514 12.337944 -5.8280263 1 3913 1 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 0 -18.23427 12.198488 -4.9994726 1 3914 1 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 0 -17.256855 11.59417 -5.4815435 1 3915 1 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 0 -18.2309 12.686918 -3.8561516 1 3916 1 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 0 -23.483574 10.065041 -5.9245663 1 3917 1 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 0 -24.46199 9.119335 -5.4021525 1 3918 1 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 0 -23.73692 7.794468 -5.2060747 1 3919 1 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 0 -23.040527 7.3202815 -6.1076202 1 3920 1 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 0 -25.661694 8.932379 -6.362908 1 3921 1 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 0 -26.658398 7.9482064 -5.781108 1 3922 1 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 0 -26.329678 10.284273 -6.642049 1 3923 1 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 0 -23.8765 7.211537 -4.0248284 1 3924 1 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 0 -23.226456 5.958558 -3.6695106 1 3925 1 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 0 -24.249516 4.877137 -3.3628922 1 3926 1 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 0 -25.409508 5.172921 -3.070747 1 3927 1 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 0 -22.34325 6.140973 -2.4295125 1 3928 1 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 0 -21.288723 7.205879 -2.552343 1 3929 1 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 0 -21.574913 8.518075 -2.1967473 1 3930 1 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 0 -20.019686 6.900133 -3.0076811 1 3931 1 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 0 -20.603977 9.501938 -2.299604 1 3932 1 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 0 -19.050545 7.8755445 -3.1110592 1 3933 1 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 0 -19.338108 9.183881 -2.7563834 1 3934 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 -23.787842 3.6188967 -3.4049644 1 3935 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 -24.626974 2.5235515 -2.9468627 1 3936 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 -24.751127 2.6384885 -1.4360592 1 3937 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 -24.15918 3.5334034 -0.81029654 1 3938 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 -24.021423 1.1772945 -3.3201108 1 3939 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 -23.891228 0.922944 -4.825946 1 3940 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 -25.234562 0.7282433 -5.512951 1 3941 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 -25.817856 -0.6538064 -5.272262 1 3942 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 -27.05296 -0.8689109 -6.0433083 1 3943 1 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 0 -25.474054 1.7270567 -0.8027698 1 3944 1 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 0 -25.72274 1.7748902 0.6358691 1 3945 1 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 0 -24.43267 1.8000401 1.4692795 1 3946 1 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 0 -24.407597 2.383644 2.5571156 1 3947 1 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 0 -26.601036 0.58816636 1.0553894 1 3948 1 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 0 -26.960152 0.58263063 2.537169 1 3949 1 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 0 -27.864813 -0.5738168 2.9092183 1 3950 1 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 0 -28.231853 -1.359771 2.010036 1 3951 1 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 0 -28.215618 -0.70025694 4.106068 1 3952 1 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 0 -23.336016 1.1971695 0.95321167 1 3953 1 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 0 -22.091967 1.139725 1.7137012 1 3954 1 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 0 -21.406982 2.5055814 1.8464348 1 3955 1 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 0 -20.478601 2.6568727 2.6286666 1 3956 1 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 0 -21.120958 0.1089451 1.1179913 1 3957 1 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 0 -20.731735 0.39978915 -0.32695594 1 3958 1 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 0 -20.768848 1.5785763 -0.7545136 1 3959 1 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 0 -20.372206 -0.5658337 -1.0411738 1 3960 1 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 0 -21.89188 3.4964404 1.0923977 1 3961 1 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 0 -21.35762 4.841567 1.1738365 1 3962 1 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 0 -20.002018 5.04792 0.5199436 1 3963 1 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 0 -19.426678 6.141394 0.6268631 1 3964 1 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 0 -19.485199 4.0348687 -0.17389809 1 3965 1 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 0 -18.1848 4.128241 -0.82262987 1 3966 1 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 0 -18.219185 3.7769299 -2.302839 1 3967 1 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 0 -17.458744 4.346593 -3.087706 1 3968 1 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 0 -17.171104 3.2234683 -0.09952539 1 3969 1 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 0 -16.864357 3.6661482 1.3267846 1 3970 1 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 0 -15.870577 2.725278 1.9866192 1 3971 1 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 0 -15.567303 3.1794348 3.4060109 1 3972 1 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 0 -14.624884 2.2584553 4.061638 1 3973 1 +ATOM N N . THR C0 3 86 . 86 THR C0 N 0 -19.07941 2.833261 -2.700207 1 3974 1 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 0 -19.177881 2.4132822 -4.0933876 1 3975 1 +ATOM C C . THR C0 3 86 . 86 THR C0 C 0 -19.98225 3.4533043 -4.877687 1 3976 1 +ATOM O O . THR C0 3 86 . 86 THR C0 O 0 -21.161434 3.6636286 -4.6194663 1 3977 1 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 0 -19.84263 1.0367299 -4.207925 1 3978 1 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 0 -19.12824 0.09705876 -3.4075508 1 3979 1 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 0 -19.867733 0.5605221 -5.6563916 1 3980 1 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 0 -19.32861 4.0771546 -5.8734145 1 3981 1 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 0 -19.930258 5.1597557 -6.640773 1 3982 1 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 0 -20.937908 4.6495523 -7.6683493 1 3983 1 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 0 -20.680704 3.6736808 -8.379863 1 3984 1 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 0 -18.823996 5.9492936 -7.336719 1 3985 1 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 0 -19.041946 7.416084 -7.702242 1 3986 1 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 0 -17.694937 7.9970512 -8.128336 1 3987 1 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 0 -19.63555 8.209103 -6.559331 1 3988 1 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 0 -22.09002 5.323963 -7.737975 1 3989 1 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 0 -23.127836 5.0121927 -8.716237 1 3990 1 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 0 -23.104568 6.0711193 -9.820089 1 3991 1 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 0 -23.155493 5.745202 -11.004765 1 3992 1 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 0 -24.524872 4.962679 -8.062794 1 3993 1 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 0 -25.609962 4.8166842 -9.12533 1 3994 1 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 0 -24.59745 3.8297958 -7.0430875 1 3995 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 -23.025015 7.3401127 -9.432852 1 3996 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 -22.942719 8.439163 -10.386702 1 3997 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 -22.228767 9.623981 -9.756792 1 3998 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 -22.145618 9.731079 -8.530024 1 3999 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 -24.337296 8.869108 -10.868301 1 4000 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 -25.08795 9.445949 -9.820419 1 4001 1 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 0 -21.69822 10.498741 -10.62594 1 4002 1 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 0 -20.969093 11.676453 -10.167566 1 4003 1 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 0 -21.15596 12.801658 -11.173307 1 4004 1 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 0 -21.009418 12.577918 -12.377241 1 4005 1 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 0 -19.476677 11.356628 -10.012112 1 4006 1 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 0 -18.61522 12.542757 -9.602898 1 4007 1 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 0 -17.150787 12.123835 -9.512094 1 4008 1 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 0 -16.255466 13.296867 -9.123162 1 4009 1 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 0 -14.849398 12.882336 -9.036162 1 4010 1 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 0 -21.508047 13.990298 -10.686107 1 4011 1 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 0 -21.674301 15.148641 -11.559713 1 4012 1 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 0 -20.942535 16.350164 -10.980116 1 4013 1 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 0 -21.15144 16.712208 -9.819511 1 4014 1 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 0 -23.155022 15.490473 -11.754679 1 4015 1 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 0 -23.376644 16.617939 -12.759757 1 4016 1 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 0 -24.853594 16.833649 -13.056629 1 4017 1 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 0 -25.04676 17.907381 -14.122708 1 4018 1 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 0 -26.475777 18.0961 -14.444445 1 4019 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 -20.067623 16.936306 -11.793117 1 4020 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 -19.316576 18.12753 -11.398821 1 4021 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 -19.799442 19.279495 -12.272247 1 4022 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 -19.818214 19.161606 -13.49995 1 4023 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 -17.796684 17.938667 -11.576164 1 4024 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 -17.051249 19.209583 -11.1634035 1 4025 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 -17.317732 16.744427 -10.762457 1 4026 1 +ATOM N N . THR C0 3 93 . 93 THR C0 N 0 -20.21371 20.374943 -11.657161 1 4027 1 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 0 -20.70494 21.5381 -12.3901205 1 4028 1 +ATOM C C . THR C0 3 93 . 93 THR C0 C 0 -19.910536 22.778122 -11.986269 1 4029 1 +ATOM O O . THR C0 3 93 . 93 THR C0 O 0 -19.704292 23.023024 -10.796814 1 4030 1 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 0 -22.201048 21.777485 -12.112438 1 4031 1 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 0 -22.938324 20.589512 -12.405321 1 4032 1 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 0 -22.743195 22.922298 -12.971528 1 4033 1 +ATOM N N . SER C0 3 94 . 94 SER C0 N 0 -19.446354 23.534912 -12.988383 1 4034 1 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 0 -18.659595 24.741259 -12.747868 1 4035 1 +ATOM C C . SER C0 3 94 . 94 SER C0 C 0 -19.505253 25.994781 -12.9539795 1 4036 1 +ATOM O O . SER C0 3 94 . 94 SER C0 O 0 -20.57325 25.946236 -13.569831 1 4037 1 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 0 -17.43637 24.774546 -13.66392 1 4038 1 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 0 -16.59489 23.663763 -13.426104 1 4039 1 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 0 -19.024345 27.138191 -12.451278 1 4040 1 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 0 -19.766043 28.388418 -12.534487 1 4041 1 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 0 -19.97234 28.870775 -13.965789 1 4042 1 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 0 -20.879461 29.662022 -14.22267 1 4043 1 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 0 -19.066832 29.47651 -11.705492 1 4044 1 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 0 -17.67454 29.849651 -12.204571 1 4045 1 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 0 -17.054903 30.933466 -11.318325 1 4046 1 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 0 -15.6532135 31.271732 -11.774849 1 4047 1 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 0 -15.04306 32.303284 -10.900934 1 4048 1 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 0 -19.138313 28.408873 -14.925075 1 4049 1 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 0 -19.301994 28.799871 -16.322277 1 4050 1 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 0 -20.337215 27.93104 -17.04197 1 4051 1 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 0 -20.440533 27.975397 -18.266636 1 4052 1 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 0 -17.956757 28.759953 -17.065338 1 4053 1 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 0 -17.386826 27.361969 -17.213156 1 4054 1 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 0 -17.965351 26.39948 -16.649445 1 4055 1 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 0 -16.35368 27.213352 -17.895334 1 4056 1 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 0 -21.069998 27.130087 -16.28542 1 4057 1 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 0 -22.13109 26.233006 -16.75195 1 4058 1 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 0 -21.62699 24.950588 -17.408335 1 4059 1 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 0 -22.427252 24.154167 -17.91006 1 4060 1 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 0 -23.092968 26.960928 -17.696793 1 4061 1 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 0 -23.82583 28.123055 -17.03534 1 4062 1 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 0 -24.83824 28.749067 -17.99147 1 4063 1 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 0 -25.550648 29.915592 -17.323048 1 4064 1 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 0 -26.528538 30.539707 -18.237915 1 4065 1 +ATOM N N . SER C0 3 98 . 98 SER C0 N 0 -20.305103 24.727428 -17.425385 1 4066 1 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 0 -19.782948 23.468311 -17.938473 1 4067 1 +ATOM C C . SER C0 3 98 . 98 SER C0 C 0 -20.005058 22.392277 -16.877289 1 4068 1 +ATOM O O . SER C0 3 98 . 98 SER C0 O 0 -20.060394 22.682318 -15.679623 1 4069 1 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 0 -18.291302 23.586449 -18.277746 1 4070 1 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 0 -17.512436 23.863628 -17.133862 1 4071 1 +ATOM N N . SER C0 3 99 . 99 SER C0 N 0 -20.155205 21.142574 -17.343988 1 4072 1 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 0 -20.367577 20.053211 -16.398205 1 4073 1 +ATOM C C . SER C0 3 99 . 99 SER C0 C 0 -19.86753 18.72939 -16.963226 1 4074 1 +ATOM O O . SER C0 3 99 . 99 SER C0 O 0 -19.708015 18.572464 -18.175886 1 4075 1 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 0 -21.847721 19.921398 -16.021284 1 4076 1 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 0 -22.61551 19.465609 -17.111588 1 4077 1 +ATOM N N . THR C0 3 100 . 100 THR C0 N 0 -19.595432 17.788815 -16.046429 1 4078 1 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 0 -19.2155 16.434692 -16.41634 1 4079 1 +ATOM C C . THR C0 3 100 . 100 THR C0 C 0 -20.05043 15.489481 -15.55513 1 4080 1 +ATOM O O . THR C0 3 100 . 100 THR C0 O 0 -20.056282 15.617694 -14.32896 1 4081 1 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 0 -17.71637 16.171944 -16.164536 1 4082 1 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 0 -16.934723 17.076832 -16.94022 1 4083 1 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 0 -17.347055 14.742803 -16.54747 1 4084 1 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 0 -20.766575 14.571438 -16.208588 1 4085 1 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 0 -21.567795 13.586952 -15.48298 1 4086 1 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 0 -21.129883 12.188038 -15.887168 1 4087 1 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 0 -20.970161 11.897718 -17.073416 1 4088 1 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 0 -23.068 13.777189 -15.755426 1 4089 1 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 0 -23.920374 12.7634945 -15.012265 1 4090 1 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 0 -25.383427 13.148337 -14.903608 1 4091 1 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 0 -25.842852 14.0305195 -15.664494 1 4092 1 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 0 -26.087917 12.571365 -14.04047 1 4093 1 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 0 -20.939737 11.334145 -14.892916 1 4094 1 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 0 -20.481499 9.971342 -15.120364 1 4095 1 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 0 -21.392254 8.966868 -14.42222 1 4096 1 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 0 -21.918743 9.23614 -13.344058 1 4097 1 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 0 -19.04923 9.7795315 -14.60243 1 4098 1 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 0 -18.006828 10.629232 -15.305582 1 4099 1 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 0 -16.70564 10.719462 -14.53698 1 4100 1 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 0 -15.666695 10.256634 -15.052525 1 4101 1 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 0 -16.726902 11.245735 -13.408321 1 4102 1 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 0 -21.55766 7.8033133 -15.052574 1 4103 1 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 0 -22.259062 6.676936 -14.450272 1 4104 1 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 0 -21.277184 5.518404 -14.382519 1 4105 1 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 0 -20.400473 5.3882713 -15.238512 1 4106 1 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 0 -23.497826 6.2909822 -15.265083 1 4107 1 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 0 -24.59859 7.345016 -15.225982 1 4108 1 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 0 -25.846668 6.8608036 -15.9548855 1 4109 1 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 0 -26.948235 7.9173136 -15.898661 1 4110 1 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 0 -28.16276 7.4748464 -16.61986 1 4111 1 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 0 -21.424046 4.6740346 -13.355906 1 4112 1 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 0 -20.464296 3.6087136 -13.0911255 1 4113 1 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 0 -21.09837 2.2257318 -13.126411 1 4114 1 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 0 -22.27602 2.0683208 -12.79953 1 4115 1 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 0 -19.790062 3.8486366 -11.731211 1 4116 1 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 0 -19.090935 5.179714 -11.648167 1 4117 1 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 0 -19.81067 6.3433986 -11.400943 1 4118 1 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 0 -17.72578 5.2757287 -11.841105 1 4119 1 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 0 -19.16942 7.575636 -11.352189 1 4120 1 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 0 -17.084923 6.500705 -11.7848625 1 4121 1 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 0 -17.809086 7.6546354 -11.540848 1 4122 1 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 0 -20.293547 1.2208325 -13.529463 1 4123 1 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 0 -20.793022 -0.1455141 -13.601429 1 4124 1 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 0 -20.545769 -0.8892907 -12.286589 1 4125 1 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 0 -20.108791 -0.29429102 -11.300099 1 4126 1 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 0 -20.177258 -0.9001669 -14.786671 1 4127 1 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 0 -18.675243 -1.0935422 -14.677992 1 4128 1 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 0 -18.093937 -0.9700327 -13.593933 1 4129 1 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 0 -18.038536 -1.4120979 -15.799429 1 4130 1 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 0 -20.839912 -2.1971323 -12.253 1 4131 1 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 0 -20.711538 -3.0053189 -11.041857 1 4132 1 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 0 -19.285744 -3.0381446 -10.489903 1 4133 1 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 0 -19.09446 -3.1990469 -9.284636 1 4134 1 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 0 -21.165844 -4.4431067 -11.299463 1 4135 1 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 0 -22.653427 -4.6121745 -11.536016 1 4136 1 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 0 -23.016853 -6.06759 -11.758763 1 4137 1 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 0 -23.892166 -6.577527 -11.040745 1 4138 1 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 0 -22.412123 -6.6911087 -12.653992 1 4139 1 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 0 -18.283422 -2.8953247 -11.373674 1 4140 1 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 0 -16.889645 -2.93292 -10.959167 1 4141 1 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 0 -16.351868 -1.5758541 -10.506393 1 4142 1 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 0 -15.184114 -1.4583387 -10.167845 1 4143 1 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 0 -16.013906 -3.469414 -12.093922 1 4144 1 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 0 -16.375492 -4.8759713 -12.532271 1 4145 1 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 0 -15.490814 -5.3263297 -13.69029 1 4146 1 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 0 -15.897679 -6.711191 -14.160318 1 4147 1 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 0 -15.052342 -7.161773 -15.278718 1 4148 1 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 0 -17.23138 -0.55223864 -10.501431 1 4149 1 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 0 -16.807413 0.7744263 -10.117096 1 4150 1 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 0 -16.074734 1.5144167 -11.223354 1 4151 1 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 0 -15.363107 2.4834347 -10.952874 1 4152 1 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 0 -16.251225 1.0718246 -12.48731 1 4153 1 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 0 -15.609566 1.6857351 -13.637341 1 4154 1 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 0 -16.609463 2.5638223 -14.384726 1 4155 1 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 0 -17.800816 2.25703 -14.422302 1 4156 1 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 0 -15.052823 0.60924315 -14.577532 1 4157 1 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 0 -14.014906 -0.2850206 -13.9126 1 4158 1 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 0 -13.71357 -1.5506095 -14.700159 1 4159 1 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 0 -12.618103 -2.107985 -14.500875 1 4160 1 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 0 -14.560463 -1.9926445 -15.494654 1 4161 1 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 0 -16.119907 3.6376448 -14.997551 1 4162 1 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 0 -16.987625 4.5432096 -15.741943 1 4163 1 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 0 -17.566256 3.8185296 -16.953218 1 4164 1 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 0 -16.822372 3.2335358 -17.744455 1 4165 1 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 0 -16.22617 5.8017354 -16.202858 1 4166 1 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 0 -17.138367 6.7061195 -17.032393 1 4167 1 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 0 -15.686334 6.562489 -15.000801 1 4168 1 +ATOM N N . SER C0 3 111 . 111 SER C0 N 0 -18.892935 3.8463194 -17.09885 1 4169 1 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 0 -19.558094 3.196011 -18.225397 1 4170 1 +ATOM C C . SER C0 3 111 . 111 SER C0 C 0 -20.186779 4.2183914 -19.171146 1 4171 1 +ATOM O O . SER C0 3 111 . 111 SER C0 O 0 -20.369976 3.9238923 -20.352074 1 4172 1 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 0 -20.633247 2.221946 -17.73238 1 4173 1 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 0 -21.609623 2.8896866 -16.958614 1 4174 1 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 0 -20.525536 5.411398 -18.675978 1 4175 1 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 0 -21.079973 6.5002365 -19.473911 1 4176 1 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 0 -20.506191 7.820454 -18.974916 1 4177 1 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 0 -20.230644 7.9640913 -17.781818 1 4178 1 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 0 -22.614357 6.5578246 -19.363525 1 4179 1 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 0 -23.32217 5.3043265 -19.851404 1 4180 1 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 0 -24.83387 5.3851075 -19.708904 1 4181 1 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 0 -25.491455 4.33386 -19.685675 1 4182 1 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 0 -25.368162 6.510027 -19.61435 1 4183 1 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 0 -20.336475 8.760225 -19.912207 1 4184 1 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 0 -19.799004 10.062485 -19.532923 1 4185 1 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 0 -20.327948 11.135342 -20.471622 1 4186 1 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 0 -20.32675 10.941954 -21.694038 1 4187 1 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 0 -18.263779 10.044321 -19.563648 1 4188 1 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 0 -17.600065 11.329351 -19.09059 1 4189 1 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 0 -16.085567 11.1514845 -19.066051 1 4190 1 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 0 -15.384807 12.4095545 -18.55751 1 4191 1 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 0 -13.928381 12.203949 -18.497011 1 4192 1 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 0 -20.818264 12.236034 -19.905518 1 4193 1 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 0 -21.310692 13.36046 -20.695625 1 4194 1 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 0 -20.595812 14.621518 -20.231302 1 4195 1 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 0 -20.649815 14.971003 -19.050846 1 4196 1 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 0 -22.837854 13.551641 -20.535221 1 4197 1 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 0 -23.58824 12.298372 -20.991451 1 4198 1 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 0 -23.304487 14.780155 -21.344772 1 4199 1 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 0 -25.083502 12.359183 -20.734118 1 4200 1 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 0 -19.911272 15.283128 -21.176949 1 4201 1 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 0 -19.224373 16.535664 -20.8869 1 4202 1 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 0 -19.996222 17.653454 -21.582333 1 4203 1 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 0 -20.117188 17.651054 -22.807373 1 4204 1 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 0 -17.76273 16.517038 -21.383099 1 4205 1 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 0 -16.988497 15.391193 -20.69941 1 4206 1 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 0 -17.102707 17.884237 -21.13573 1 4207 1 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 0 -15.602694 15.158947 -21.289667 1 4208 1 +ATOM N N . THR C0 3 116 . 116 THR C0 N 0 -20.53984 18.575138 -20.798185 1 4209 1 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 0 -21.24552 19.723005 -21.349365 1 4210 1 +ATOM C C . THR C0 3 116 . 116 THR C0 C 0 -20.326355 20.932356 -21.27119 1 4211 1 +ATOM O O . THR C0 3 116 . 116 THR C0 O 0 -19.867218 21.299307 -20.18943 1 4212 1 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 0 -22.54893 20.00048 -20.57764 1 4213 1 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 0 -23.394783 18.845572 -20.63837 1 4214 1 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 0 -23.295073 21.193642 -21.177448 1 4215 1 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 0 -20.025806 21.523705 -22.440226 1 4216 1 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 0 -19.161459 22.689318 -22.475067 1 4217 1 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 0 -19.947464 23.948925 -22.13416 1 4218 1 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 0 -21.184246 23.941956 -22.15778 1 4219 1 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 0 -18.522732 22.818777 -23.855787 1 4220 1 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 0 -17.63746 21.633049 -24.222435 1 4221 1 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 0 -17.291723 21.696259 -25.695206 1 4222 1 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 0 -16.379702 20.63286 -26.11155 1 4223 1 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 0 -16.494015 19.963736 -27.243784 1 4224 1 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 0 -17.503155 20.211637 -28.078465 1 4225 1 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 0 -15.608533 19.037495 -27.55571 1 4226 1 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 0 -19.234709 25.0287 -21.831066 1 4227 1 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 0 -19.886635 26.27753 -21.45102 1 4228 1 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 0 -20.831459 26.795353 -22.537415 1 4229 1 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 0 -21.831562 27.44824 -22.233295 1 4230 1 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 0 -18.839476 27.334301 -21.116623 1 4231 1 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 0 -20.51904 26.489895 -23.814945 1 4232 1 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 0 -21.35168 26.958687 -24.918419 1 4233 1 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 0 -22.540936 26.039627 -25.213581 1 4234 1 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 0 -23.279291 26.270988 -26.166565 1 4235 1 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 0 -20.517197 27.161879 -26.189373 1 4236 1 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 0 -19.887573 25.886532 -26.712236 1 4237 1 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 0 -20.21442 24.784306 -26.20719 1 4238 1 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 0 -19.059885 25.971794 -27.635761 1 4239 1 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 0 -22.734177 25.01033 -24.396673 1 4240 1 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 0 -23.858547 24.106628 -24.54772 1 4241 1 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 0 -23.606728 22.890995 -25.411549 1 4242 1 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 0 -24.443958 21.98301 -25.459824 1 4243 1 +ATOM N N . THR C0 3 121 . 121 THR C0 N 0 -22.457527 22.844637 -26.127289 1 4244 1 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 0 -22.14706 21.658283 -26.920877 1 4245 1 +ATOM C C . THR C0 3 121 . 121 THR C0 C 0 -21.696112 20.550518 -25.974934 1 4246 1 +ATOM O O . THR C0 3 121 . 121 THR C0 O 0 -21.267242 20.806686 -24.8459 1 4247 1 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 0 -21.054379 21.942108 -27.970749 1 4248 1 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 0 -19.85506 22.36466 -27.325184 1 4249 1 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 0 -21.514284 23.029095 -28.941559 1 4250 1 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 0 -21.801336 19.31187 -26.453487 1 4251 1 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 0 -21.519695 18.179726 -25.576265 1 4252 1 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 0 -20.68532 17.097271 -26.231594 1 4253 1 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 0 -20.757744 16.896692 -27.45249 1 4254 1 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 0 -22.834267 17.54757 -25.095463 1 4255 1 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 0 -23.649021 18.430727 -24.161686 1 4256 1 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 0 -24.988094 17.779577 -23.81237 1 4257 1 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 0 -25.93625 17.862568 -24.931755 1 4258 1 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 0 -26.40152 16.810478 -25.598507 1 4259 1 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 0 -27.255245 16.993065 -26.599884 1 4260 1 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 0 -26.01467 15.5743065 -25.28772 1 4261 1 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 0 -19.914593 16.393791 -25.409092 1 4262 1 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 0 -19.24105 15.16129 -25.787863 1 4263 1 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 0 -19.917923 14.066057 -24.984974 1 4264 1 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 0 -20.010464 14.160166 -23.754871 1 4265 1 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 0 -17.743734 15.203308 -25.455784 1 4266 1 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 0 -16.85624 16.014359 -26.401093 1 4267 1 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 0 -15.473454 16.198086 -25.776337 1 4268 1 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 0 -16.750406 15.301596 -27.744434 1 4269 1 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 0 -20.423927 13.043196 -25.673077 1 4270 1 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 0 -21.116062 11.94697 -25.008968 1 4271 1 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 0 -20.394192 10.635228 -25.278828 1 4272 1 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 0 -20.083035 10.310959 -26.421684 1 4273 1 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 0 -22.564064 11.837212 -25.498667 1 4274 1 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 0 -23.388187 13.09001 -25.214638 1 4275 1 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 0 -24.834648 12.970388 -25.674309 1 4276 1 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 0 -25.599312 13.941271 -25.493053 1 4277 1 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 0 -25.211054 11.909417 -26.213488 1 4278 1 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 0 -20.120113 9.891993 -24.201462 1 4279 1 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 0 -19.456924 8.599194 -24.303257 1 4280 1 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 0 -20.345518 7.5188932 -23.705976 1 4281 1 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 0 -20.889309 7.6961155 -22.61342 1 4282 1 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 0 -18.112162 8.6239395 -23.573147 1 4283 1 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 0 -17.188517 9.730579 -24.04375 1 4284 1 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 0 -16.994173 10.875789 -23.275574 1 4285 1 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 0 -16.511398 9.629944 -25.253197 1 4286 1 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 0 -16.144716 11.891591 -23.701239 1 4287 1 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 0 -15.664501 10.638763 -25.684368 1 4288 1 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 0 -15.483065 11.763842 -24.903057 1 4289 1 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 0 -14.645621 12.764116 -25.32972 1 4290 1 +ATOM N N . THR C0 3 126 . 126 THR C0 N 0 -20.494328 6.418645 -24.422382 1 4291 1 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 0 -21.282785 5.2963715 -23.929348 1 4292 1 +ATOM C C . THR C0 3 126 . 126 THR C0 C 0 -20.51007 3.995181 -24.15404 1 4293 1 +ATOM O O . THR C0 3 126 . 126 THR C0 O 0 -19.587399 3.9359784 -24.969868 1 4294 1 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 0 -22.65513 5.2028885 -24.635563 1 4295 1 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 0 -22.451683 5.0968924 -26.044628 1 4296 1 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 0 -23.507233 6.432447 -24.340305 1 4297 1 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 0 -20.89094 2.9612324 -23.415358 1 4298 1 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 0 -20.244396 1.6647292 -23.544352 1 4299 1 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 0 -18.753685 1.7096788 -23.265789 1 4300 1 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 0 -17.985134 1.0136329 -23.926727 1 4301 1 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 0 -18.345024 2.5296845 -22.298313 1 4302 1 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 0 -16.927689 2.6484332 -21.969395 1 4303 1 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 0 -16.44713 1.3548565 -21.304249 1 4304 1 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 0 -17.044334 0.88327515 -20.336657 1 4305 1 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 0 -16.665154 3.853828 -21.047394 1 4306 1 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 0 -17.138416 5.150749 -21.724648 1 4307 1 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 0 -15.167273 3.9411998 -20.708057 1 4308 1 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 0 -17.08083 6.368907 -20.811024 1 4309 1 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 0 -15.374325 0.80188006 -21.857807 1 4310 1 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 0 -14.784407 -0.41911578 -21.317564 1 4311 1 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 0 -13.687151 -0.075847 -20.312958 1 4312 1 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 0 -13.259472 1.081802 -20.197605 1 4313 1 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 0 -14.1997 -1.2782781 -22.437366 1 4314 1 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 0 -15.153553 -1.5258422 -23.597313 1 4315 1 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 0 -16.388077 -2.2985656 -23.16475 1 4316 1 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 0 -17.300964 -2.5707192 -24.34964 1 4317 1 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 0 -18.510324 -3.2751255 -23.94659 1 4318 1 +ATOM N N . SER C0 3 130 . 130 SER C0 N 0 -13.214877 -1.087163 -19.570251 1 4319 1 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 0 -12.207701 -0.8558345 -18.544342 1 4320 1 +ATOM C C . SER C0 3 130 . 130 SER C0 C 0 -10.873487 -0.36286548 -19.122673 1 4321 1 +ATOM O O . SER C0 3 130 . 130 SER C0 O 0 -10.084698 0.24675909 -18.401812 1 4322 1 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 0 -11.984836 -2.1322775 -17.722109 1 4323 1 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 0 -11.580496 -3.19866 -18.540596 1 4324 1 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 0 -10.625612 -0.61275315 -20.434294 1 4325 1 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 0 -9.387556 -0.14501819 -21.051792 1 4326 1 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 0 -9.527109 1.2716017 -21.605843 1 4327 1 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 0 -8.613239 1.7791554 -22.241806 1 4328 1 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 0 -8.925325 -1.1049793 -22.15491 1 4329 1 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 0 -9.879967 -1.170196 -23.34208 1 4330 1 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 0 -10.925518 -0.4906968 -23.334068 1 4331 1 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 0 -9.567307 -1.9159459 -24.293129 1 4332 1 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 0 -10.674252 1.9073484 -21.358665 1 4333 1 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 0 -10.894075 3.2775764 -21.773071 1 4334 1 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 0 -11.511778 3.4511144 -23.144241 1 4335 1 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 0 -11.6757965 4.5904675 -23.593456 1 4336 1 +ATOM N N . SER C0 3 133 . 133 SER C0 N 0 -11.859749 2.373668 -23.836723 1 4337 1 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 0 -12.464888 2.4640126 -25.158722 1 4338 1 +ATOM C C . SER C0 3 133 . 133 SER C0 C 0 -13.989746 2.5086803 -25.053154 1 4339 1 +ATOM O O . SER C0 3 133 . 133 SER C0 O 0 -14.567486 2.0663114 -24.055069 1 4340 1 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 0 -12.034283 1.2833034 -26.03482 1 4341 1 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 0 -12.543621 0.06555162 -25.53801 1 4342 1 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 0 -14.6117935 3.0613954 -26.102226 1 4343 1 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 0 -16.061947 3.1405187 -26.11404 1 4344 1 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 0 -16.552471 3.9228296 -27.318619 1 4345 1 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 0 -15.77974 4.241665 -28.22568 1 4346 1 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 0 -17.85435 4.2232437 -27.349148 1 4347 1 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 0 -18.453306 5.0204515 -28.409864 1 4348 1 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 0 -18.410976 6.4930553 -28.026493 1 4349 1 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 0 -18.414993 6.8269243 -26.830807 1 4350 1 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 0 -19.90411 4.5969543 -28.646816 1 4351 1 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 0 -20.06765 3.1684964 -29.12608 1 4352 1 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 0 -21.547144 2.8511286 -29.333542 1 4353 1 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 0 -21.739262 1.4288692 -29.828562 1 4354 1 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 0 -23.176258 1.1253452 -30.01979 1 4355 1 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 0 -18.366152 7.3708067 -29.040224 1 4356 1 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 0 -18.302708 8.801564 -28.772888 1 4357 1 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 0 -19.209381 9.584489 -29.715595 1 4358 1 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 0 -19.384193 9.209138 -30.871634 1 4359 1 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 0 -16.868263 9.308936 -28.897224 1 4360 1 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 0 -19.789757 10.666835 -29.21223 1 4361 1 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 0 -20.58894 11.590407 -30.00151 1 4362 1 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 0 -20.23805 13.002747 -29.57637 1 4363 1 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 0 -20.083805 13.269466 -28.37812 1 4364 1 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 0 -22.0942 11.379469 -29.767178 1 4365 1 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 0 -22.674309 10.101027 -30.322754 1 4366 1 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 0 -24.188463 10.074799 -30.087744 1 4367 1 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 0 -24.806355 8.80406 -30.63839 1 4368 1 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 0 -26.276045 8.794807 -30.423111 1 4369 1 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 0 -20.100353 13.900093 -30.55974 1 4370 1 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 0 -19.950407 15.31328 -30.239876 1 4371 1 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 0 -21.228264 15.996309 -30.711803 1 4372 1 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 0 -21.502134 16.032711 -31.912144 1 4373 1 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 0 -18.721416 15.930037 -30.908743 1 4374 1 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 0 -18.528141 17.393127 -30.48814 1 4375 1 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 0 -17.243612 18.01876 -30.974234 1 4376 1 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 0 -16.881165 17.797327 -32.141365 1 4377 1 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 0 -16.583286 18.739906 -30.191109 1 4378 1 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 0 -22.011024 16.480164 -29.781952 1 4379 1 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 0 -23.27942 17.12133 -30.088066 1 4380 1 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 0 -23.043997 18.618082 -30.250168 1 4381 1 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 0 -22.841093 19.33862 -29.271328 1 4382 1 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 0 -24.329311 16.847076 -28.98742 1 4383 1 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 0 -25.67796 17.449081 -29.381687 1 4384 1 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 0 -24.46762 15.349026 -28.751686 1 4385 1 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 0 -23.026878 19.058622 -31.491127 1 4386 1 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 0 -22.810383 20.462234 -31.813332 1 4387 1 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 0 -24.162191 21.118214 -32.090424 1 4388 1 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 0 -25.207798 20.475899 -31.972715 1 4389 1 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 0 -21.881666 20.583046 -33.027985 1 4390 1 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 0 -20.489782 19.996773 -32.800797 1 4391 1 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 0 -19.777096 19.722504 -34.114563 1 4392 1 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 0 -19.66196 20.92423 -31.918253 1 4393 1 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 0 -24.162075 22.388771 -32.464096 1 4394 1 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 0 -25.418224 23.070911 -32.723442 1 4395 1 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 0 -26.043121 22.559818 -34.02594 1 4396 1 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 0 -25.538593 22.839884 -35.11415 1 4397 1 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 0 -25.219608 24.588669 -32.794117 1 4398 1 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 0 -26.526394 25.357452 -32.98535 1 4399 1 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 0 -26.300148 26.85949 -33.04597 1 4400 1 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 0 -27.619547 27.589897 -33.263947 1 4401 1 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 0 -27.4384 29.037848 -33.362503 1 4402 1 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 0 -27.098213 21.794012 -33.88793 1 4403 1 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 0 -27.836506 21.31755 -35.041832 1 4404 1 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 0 -27.349611 20.040516 -35.69127 1 4405 1 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 0 -28.005943 19.546265 -36.61652 1 4406 1 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 0 -26.229412 19.495796 -35.269485 1 4407 1 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 0 -25.743612 18.243034 -35.85083 1 4408 1 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 0 -24.828243 17.509937 -34.890415 1 4409 1 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 0 -24.362677 18.081823 -33.89332 1 4410 1 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 0 -25.04361 18.478603 -37.19896 1 4411 1 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 0 -23.807175 19.357025 -37.139713 1 4412 1 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 0 -23.914595 20.739983 -37.04245 1 4413 1 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 0 -22.53925 18.801567 -37.216553 1 4414 1 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 0 -22.791992 21.548597 -37.01112 1 4415 1 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 0 -21.411678 19.606342 -37.188583 1 4416 1 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 0 -21.542002 20.97093 -37.08271 1 4417 1 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 0 -20.42878 21.766842 -37.054543 1 4418 1 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 0 -24.570118 16.248709 -35.193604 1 4419 1 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 0 -23.787043 15.370935 -34.3275 1 4420 1 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 0 -22.680576 14.681898 -35.12549 1 4421 1 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 0 -22.9136 14.225518 -36.249023 1 4422 1 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 0 -24.693897 14.307581 -33.66896 1 4423 1 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 0 -23.870884 13.331851 -32.83846 1 4424 1 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 0 -25.76661 14.967 -32.812164 1 4425 1 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 0 -21.484985 14.635499 -34.547653 1 4426 1 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 0 -20.386414 13.864595 -35.11215 1 4427 1 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 0 -20.250904 12.60775 -34.266647 1 4428 1 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 0 -20.292217 12.677153 -33.031845 1 4429 1 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 0 -19.072937 14.655455 -35.073666 1 4430 1 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 0 -19.061962 16.015326 -35.776817 1 4431 1 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 0 -17.662971 16.609516 -35.718464 1 4432 1 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 0 -19.530827 15.906044 -37.21678 1 4433 1 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 0 -20.101452 11.466253 -34.911217 1 4434 1 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 0 -20.001123 10.195281 -34.20724 1 4435 1 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 0 -18.64197 9.544853 -34.431442 1 4436 1 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 0 -18.01818 9.731213 -35.4693 1 4437 1 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 0 -21.111073 9.240567 -34.65813 1 4438 1 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 0 -22.505339 9.774113 -34.38379 1 4439 1 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 0 -23.594528 8.784824 -34.741894 1 4440 1 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 0 -24.551403 8.633039 -33.95582 1 4441 1 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 0 -23.494719 8.1607 -35.813255 1 4442 1 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 0 -18.208185 8.782236 -33.42448 1 4443 1 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 0 -16.916862 8.116787 -33.5317 1 4444 1 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 0 -16.628757 7.2053356 -32.370026 1 4445 1 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 0 -17.537338 6.560953 -31.836878 1 4446 1 +ATOM N N . THR C0 3 148 . 148 THR C0 N 0 -15.35792 7.144081 -32.003963 1 4447 1 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 0 -14.930233 6.231191 -30.951002 1 4448 1 +ATOM C C . THR C0 3 148 . 148 THR C0 C 0 -14.032205 6.922964 -29.929352 1 4449 1 +ATOM O O . THR C0 3 148 . 148 THR C0 O 0 -13.425636 7.955601 -30.21354 1 4450 1 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 0 -14.17787 5.021235 -31.531017 1 4451 1 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 0 -13.021196 5.48487 -32.23227 1 4452 1 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 0 -15.056248 4.2232504 -32.482136 1 4453 1 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 0 -13.98278 6.322432 -28.747643 1 4454 1 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 0 -13.104347 6.7585516 -27.671707 1 4455 1 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 0 -12.056375 5.6822147 -27.434246 1 4456 1 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 0 -12.387607 4.491727 -27.413925 1 4457 1 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 0 -13.912378 6.982838 -26.388988 1 4458 1 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 0 -13.119498 7.2108073 -25.095818 1 4459 1 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 0 -14.036159 7.0633516 -23.886236 1 4460 1 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 0 -12.442301 8.574854 -25.116549 1 4461 1 +ATOM N N . THR C0 3 150 . 150 THR C0 N 0 -10.8056135 6.0760174 -27.313093 1 4462 1 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 0 -9.740143 5.1892223 -26.872602 1 4463 1 +ATOM C C . THR C0 3 150 . 150 THR C0 C 0 -9.170937 5.806378 -25.601711 1 4464 1 +ATOM O O . THR C0 3 150 . 150 THR C0 O 0 -9.572703 6.902586 -25.192024 1 4465 1 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 0 -8.6209345 5.03382 -27.921528 1 4466 1 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 0 -7.9078865 6.259656 -28.042305 1 4467 1 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 0 -9.1869545 4.6231174 -29.271902 1 4468 1 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 0 -8.232606 5.114892 -24.961702 1 4469 1 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 0 -7.6359653 5.631982 -23.743338 1 4470 1 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 0 -6.8903 6.9401455 -23.991737 1 4471 1 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 0 -6.701183 7.7335625 -23.065111 1 4472 1 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 0 -6.6843243 4.596413 -23.138386 1 4473 1 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 0 -6.4824767 7.178241 -25.246002 1 4474 1 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 0 -5.6814804 8.340361 -25.585247 1 4475 1 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 0 -6.445424 9.483233 -26.247051 1 4476 1 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 0 -6.0461493 10.644733 -26.108898 1 4477 1 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 0 -4.5189657 7.941719 -26.494274 1 4478 1 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 0 -3.5525084 6.948536 -25.855644 1 4479 1 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 0 -2.8737197 7.498928 -24.6185 1 4480 1 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 0 -2.601742 6.7204533 -23.69162 1 4481 1 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 0 -2.6204443 8.725822 -24.55957 1 4482 1 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 0 -7.524543 9.178007 -26.983759 1 4483 1 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 0 -8.213405 10.241352 -27.703 1 4484 1 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 0 -9.628342 9.871968 -28.125782 1 4485 1 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 0 -10.005415 8.698183 -28.116825 1 4486 1 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 0 -7.4159117 10.636443 -28.94825 1 4487 1 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 0 -7.34196 9.534433 -29.997938 1 4488 1 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 0 -6.537491 9.973583 -31.206709 1 4489 1 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 0 -6.446996 8.84542 -32.22245 1 4490 1 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 0 -5.6662955 9.248648 -33.402794 1 4491 1 +ATOM N N . THR C0 3 154 . 154 THR C0 N 0 -10.367449 10.908676 -28.504383 1 4492 1 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 0 -11.686821 10.750302 -29.09151 1 4493 1 +ATOM C C . THR C0 3 154 . 154 THR C0 C 0 -11.507447 10.984774 -30.59095 1 4494 1 +ATOM O O . THR C0 3 154 . 154 THR C0 O 0 -10.869111 11.965591 -30.98888 1 4495 1 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 0 -12.681129 11.787156 -28.52874 1 4496 1 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 0 -12.8171015 11.606595 -27.125015 1 4497 1 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 0 -14.046608 11.668728 -29.201279 1 4498 1 +ATOM N N . THR C0 3 155 . 155 THR C0 N 0 -12.026771 10.09058 -31.43399 1 4499 1 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 0 -11.938111 10.244839 -32.878082 1 4500 1 +ATOM C C . THR C0 3 155 . 155 THR C0 C 0 -13.356644 10.298453 -33.446663 1 4501 1 +ATOM O O . THR C0 3 155 . 155 THR C0 O 0 -14.112189 9.337871 -33.31779 1 4502 1 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 0 -11.153465 9.094006 -33.520866 1 4503 1 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 0 -9.8255005 9.077072 -32.994705 1 4504 1 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 0 -11.081102 9.270439 -35.041847 1 4505 1 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 0 -13.71492 11.438941 -34.070324 1 4506 1 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 0 -15.037102 11.650558 -34.635468 1 4507 1 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 0 -14.912402 11.656645 -36.15468 1 4508 1 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 0 -14.065636 12.365864 -36.705643 1 4509 1 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 0 -15.622004 12.964272 -34.12312 1 4510 1 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 0 -15.70304 13.024825 -32.59175 1 4511 1 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 0 -15.675428 14.456158 -32.092705 1 4512 1 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 0 -16.923683 12.277522 -32.093414 1 4513 1 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 0 -15.750898 10.874278 -36.83579 1 4514 1 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 0 -15.584686 10.627803 -38.264793 1 4515 1 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 0 -16.793655 11.073111 -39.095596 1 4516 1 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 0 -17.940456 10.862369 -38.702217 1 4517 1 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 0 -15.302856 9.1318245 -38.522972 1 4518 1 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 0 -15.225189 8.833992 -40.015854 1 4519 1 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 0 -14.018366 8.71105 -37.829346 1 4520 1 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 0 -16.511383 11.691308 -40.252373 1 4521 1 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 0 -17.537304 12.0420685 -41.22871 1 4522 1 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 0 -17.092314 11.440956 -42.55786 1 4523 1 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 0 -15.969997 11.691257 -43.00815 1 4524 1 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 0 -17.70696 13.56745 -41.382103 1 4525 1 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 0 -18.777496 13.876888 -42.42872 1 4526 1 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 0 -18.056618 14.207294 -40.047787 1 4527 1 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 0 -17.952114 10.639626 -43.16459 1 4528 1 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 0 -17.624725 9.988294 -44.430294 1 4529 1 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 0 -18.480259 10.553474 -45.56845 1 4530 1 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 0 -19.691055 10.751596 -45.403908 1 4531 1 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 0 -17.83563 8.473799 -44.34288 1 4532 1 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 0 -16.927465 7.7920165 -43.345154 1 4533 1 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 0 -17.206308 6.289403 -43.313538 1 4534 1 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 0 -16.311886 5.599629 -42.296333 1 4535 1 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 0 -16.590097 4.1454816 -42.215942 1 4536 1 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 0 -17.85223 10.818922 -46.72173 1 4537 1 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 0 -18.54543 11.285709 -47.915 1 4538 1 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 0 -17.819862 10.705818 -49.128353 1 4539 1 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 0 -16.709274 11.118233 -49.44084 1 4540 1 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 0 -18.577576 12.806759 -47.982803 1 4541 1 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 0 -19.197613 13.355654 -49.26512 1 4542 1 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 0 -20.634312 12.935542 -49.496326 1 4543 1 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 0 -21.38251 12.680355 -48.521336 1 4544 1 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 0 -21.034771 12.850553 -50.67192 1 4545 1 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 0 -18.462078 9.7415285 -49.78983 1 4546 1 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 0 -17.841019 9.0851555 -50.924023 1 4547 1 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 0 -16.56829 8.376756 -50.50803 1 4548 1 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 0 -16.571117 7.563657 -49.587452 1 4549 1 +ATOM N N . THR C0 3 162 . 162 THR C0 N 0 -15.455403 8.724225 -51.17935 1 4550 1 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 0 -14.169418 8.119616 -50.859993 1 4551 1 +ATOM C C . THR C0 3 162 . 162 THR C0 C 0 -13.4097595 8.879817 -49.77112 1 4552 1 +ATOM O O . THR C0 3 162 . 162 THR C0 O 0 -12.303852 8.479277 -49.39038 1 4553 1 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 0 -13.280224 8.054297 -52.115704 1 4554 1 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 0 -13.070853 9.382164 -52.608757 1 4555 1 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 0 -13.91856 7.220666 -53.219875 1 4556 1 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 0 -14.016939 9.97391 -49.290092 1 4557 1 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 0 -13.34318 10.841624 -48.327187 1 4558 1 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 0 -13.793413 10.566631 -46.89157 1 4559 1 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 0 -14.988191 10.43325 -46.6231 1 4560 1 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 0 -13.5768175 12.33164 -48.662766 1 4561 1 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 0 -12.860347 13.233044 -47.666847 1 4562 1 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 0 -13.129417 12.6447935 -50.084175 1 4563 1 +ATOM N N . THR C0 3 164 . 164 THR C0 N 0 -12.826496 10.486317 -45.966873 1 4564 1 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 0 -13.103214 10.333673 -44.544968 1 4565 1 +ATOM C C . THR C0 3 164 . 164 THR C0 C 0 -12.3812275 11.447037 -43.8013 1 4566 1 +ATOM O O . THR C0 3 164 . 164 THR C0 O 0 -11.162165 11.581662 -43.903717 1 4567 1 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 0 -12.635968 8.974607 -44.016487 1 4568 1 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 0 -13.349871 7.929764 -44.687294 1 4569 1 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 0 -12.884325 8.854468 -42.519333 1 4570 1 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 0 -13.155319 12.270383 -43.05378 1 4571 1 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 0 -12.581845 13.306591 -42.21144 1 4572 1 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 0 -12.604221 12.805648 -40.776417 1 4573 1 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 0 -13.6296215 12.294912 -40.311523 1 4574 1 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 0 -13.383909 14.6081295 -42.328056 1 4575 1 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 0 -12.913607 15.796703 -41.506836 1 4576 1 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 0 -13.099545 17.10125 -42.27754 1 4577 1 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 0 -13.622168 15.852594 -40.152245 1 4578 1 +ATOM N N . SER C0 3 166 . 166 SER C0 N 0 -11.469778 12.913752 -40.077118 1 4579 1 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 0 -11.369402 12.468254 -38.693436 1 4580 1 +ATOM C C . SER C0 3 166 . 166 SER C0 C 0 -10.973613 13.631264 -37.804844 1 4581 1 +ATOM O O . SER C0 3 166 . 166 SER C0 O 0 -9.915498 14.232088 -37.998184 1 4582 1 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 0 -10.350811 11.338333 -38.56111 1 4583 1 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 0 -10.737882 10.214903 -39.32843 1 4584 1 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 0 -11.829455 13.9487915 -36.833054 1 4585 1 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 0 -11.535783 14.990351 -35.850277 1 4586 1 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 0 -11.096542 14.304394 -34.56684 1 4587 1 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 0 -11.831639 13.46853 -34.021286 1 4588 1 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 0 -12.767107 15.8639965 -35.57776 1 4589 1 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 0 -12.54323 16.908934 -34.50133 1 4590 1 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 0 -13.812969 17.700844 -34.23526 1 4591 1 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 0 -13.597219 18.698904 -33.10113 1 4592 1 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 0 -14.807853 19.461443 -32.825634 1 4593 1 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 0 -9.898436 14.615341 -34.10623 1 4594 1 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 0 -9.345285 14.015996 -32.903904 1 4595 1 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 0 -9.315578 15.006076 -31.751696 1 4596 1 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 0 -8.893795 16.150234 -31.918371 1 4597 1 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 0 -7.9292183 13.500515 -33.162598 1 4598 1 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 0 -7.882476 12.457174 -34.24949 1 4599 1 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 0 -8.684509 11.517693 -34.261887 1 4600 1 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 0 -6.956042 12.587805 -35.18004 1 4601 1 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 0 -9.793585 14.573406 -30.58322 1 4602 1 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 0 -9.700708 15.360048 -29.356268 1 4603 1 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 0 -8.815088 14.543852 -28.421255 1 4604 1 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 0 -9.222346 13.483356 -27.938915 1 4605 1 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 0 -11.084067 15.605106 -28.719099 1 4606 1 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 0 -12.022616 16.278122 -29.72628 1 4607 1 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 0 -10.941902 16.481857 -27.466988 1 4608 1 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 0 -13.451672 16.423029 -29.247532 1 4609 1 +ATOM N N . SER C0 3 170 . 170 SER C0 N 0 -7.5874376 15.010151 -28.213367 1 4610 1 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 0 -6.6148176 14.27083 -27.423336 1 4611 1 +ATOM C C . SER C0 3 170 . 170 SER C0 C 0 -6.969836 14.260906 -25.934994 1 4612 1 +ATOM O O . SER C0 3 170 . 170 SER C0 O 0 -7.855789 14.98642 -25.487158 1 4613 1 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 0 -5.2144866 14.854208 -27.6125 1 4614 1 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 0 -5.1011662 16.10186 -26.946926 1 4615 1 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 0 -6.2581654 13.440483 -25.167017 1 4616 1 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 0 -6.463154 13.348574 -23.732033 1 4617 1 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 0 -6.241416 14.699963 -23.064238 1 4618 1 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 0 -6.8819637 15.019783 -22.05896 1 4619 1 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 0 -5.5274954 12.28631 -23.132797 1 4620 1 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 0 -5.778461 11.9891615 -21.670088 1 4621 1 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 0 -4.8705254 10.86348 -21.188948 1 4622 1 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 0 -5.127638 10.537386 -19.725113 1 4623 1 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 0 -4.279603 9.428942 -19.247389 1 4624 1 +ATOM N N . SER C0 3 172 . 172 SER C0 N 0 -5.351299 15.524183 -23.653152 1 4625 1 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 0 -5.0590196 16.85383 -23.126678 1 4626 1 +ATOM C C . SER C0 3 172 . 172 SER C0 C 0 -6.084133 17.893282 -23.573542 1 4627 1 +ATOM O O . SER C0 3 172 . 172 SER C0 O 0 -6.02752 19.045902 -23.130028 1 4628 1 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 0 -3.6579313 17.30471 -23.54384 1 4629 1 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 0 -3.5784056 17.476646 -24.942465 1 4630 1 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 0 -7.01437 17.508865 -24.442806 1 4631 1 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 0 -8.036071 18.413273 -24.937965 1 4632 1 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 0 -7.6909785 19.09761 -26.246399 1 4633 1 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 0 -8.485695 19.889194 -26.75544 1 4634 1 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 0 -6.5169754 18.795319 -26.818123 1 4635 1 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 0 -6.0977054 19.407253 -28.071058 1 4636 1 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 0 -6.8355813 18.785114 -29.252075 1 4637 1 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 0 -6.9670386 17.564598 -29.334366 1 4638 1 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 0 -4.5855975 19.256319 -28.251625 1 4639 1 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 0 -4.054549 19.93101 -29.505623 1 4640 1 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 0 -2.5505452 19.815773 -29.642923 1 4641 1 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 0 -1.8423014 20.050388 -28.635838 1 4642 1 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 0 -2.0657952 19.490747 -30.740404 1 4643 1 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 0 -7.2998075 19.640413 -30.17563 1 4644 1 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 0 -8.03434 19.182201 -31.34829 1 4645 1 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 0 -7.116612 19.14309 -32.568127 1 4646 1 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 0 -6.3080034 20.046263 -32.774986 1 4647 1 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 0 -9.245251 20.099365 -31.637526 1 4648 1 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 0 -9.914167 19.715536 -32.958893 1 4649 1 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 0 -10.250741 20.029366 -30.496387 1 4650 1 +ATOM N N . SER C0 3 176 . 176 SER C0 N 0 -7.233034 18.09591 -33.361893 1 4651 1 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 0 -6.536812 17.98898 -34.63898 1 4652 1 +ATOM C C . SER C0 3 176 . 176 SER C0 C 0 -7.4873476 17.325659 -35.620846 1 4653 1 +ATOM O O . SER C0 3 176 . 176 SER C0 O 0 -8.350025 16.543228 -35.22773 1 4654 1 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 0 -5.2366285 17.197973 -34.517242 1 4655 1 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 0 -5.489298 15.856055 -34.18564 1 4656 1 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 0 -7.362547 17.672497 -36.89378 1 4657 1 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 0 -8.245272 17.113825 -37.907494 1 4658 1 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 0 -7.413735 16.589722 -39.073196 1 4659 1 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 0 -6.4581776 17.241407 -39.502956 1 4660 1 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 0 -9.261808 18.163464 -38.417786 1 4661 1 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 0 -10.254605 17.535843 -39.39057 1 4662 1 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 0 -10.00506 18.803877 -37.250847 1 4663 1 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 0 -7.761547 15.425033 -39.575615 1 4664 1 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 0 -7.067849 14.842028 -40.71184 1 4665 1 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 0 -8.083912 14.329691 -41.718185 1 4666 1 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 0 -9.250394 14.117224 -41.3931 1 4667 1 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 0 -6.1146045 13.721156 -40.284645 1 4668 1 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 0 -6.782649 12.561344 -39.58426 1 4669 1 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 0 -5.782977 11.5426655 -39.068768 1 4670 1 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 0 -4.5621014 11.783962 -39.15617 1 4671 1 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 0 -6.2079773 10.488327 -38.56366 1 4672 1 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 0 -7.618779 14.143594 -42.960777 1 4673 1 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 0 -8.482194 13.694238 -44.042915 1 4674 1 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 0 -7.8061495 12.587461 -44.83087 1 4675 1 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 0 -6.6056433 12.652882 -45.092934 1 4676 1 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 0 -8.815589 14.87862 -44.962814 1 4677 1 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 0 -9.768019 14.6541 -46.13536 1 4678 1 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 0 -10.614351 15.889975 -46.381058 1 4679 1 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 0 -9.022962 14.244938 -47.404015 1 4680 1 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 0 -8.5811825 11.556484 -45.180172 1 4681 1 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 0 -8.0837555 10.459566 -45.99877 1 4682 1 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 0 -9.03841 10.254448 -47.17167 1 4683 1 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 0 -10.254522 10.211989 -46.98798 1 4684 1 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 0 -7.973088 9.171651 -45.18402 1 4685 1 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 0 -7.4687147 8.010469 -46.018707 1 4686 1 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 0 -6.3712864 8.071448 -46.575977 1 4687 1 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 0 -8.235037 6.9562945 -46.123425 1 4688 1 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 0 -8.485762 10.158211 -48.384666 1 4689 1 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 0 -9.277838 9.949968 -49.589046 1 4690 1 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 0 -8.748749 8.711868 -50.307682 1 4691 1 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 0 -7.5678115 8.657211 -50.65383 1 4692 1 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 0 -9.192957 11.184322 -50.50226 1 4693 1 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 0 -10.187595 11.150955 -51.656845 1 4694 1 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 0 -10.876965 10.119641 -51.841614 1 4695 1 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 0 -10.285128 12.157284 -52.392136 1 4696 1 +ATOM N N . THR C0 3 182 . 182 THR C0 N 0 -9.615147 7.718628 -50.5225 1 4697 1 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 0 -9.202333 6.48055 -51.182407 1 4698 1 +ATOM C C . THR C0 3 182 . 182 THR C0 C 0 -9.249636 6.576183 -52.704453 1 4699 1 +ATOM O O . THR C0 3 182 . 182 THR C0 O 0 -8.917007 5.612658 -53.401634 1 4700 1 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 0 -10.07958 5.296282 -50.726746 1 4701 1 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 0 -11.450647 5.59916 -51.000896 1 4702 1 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 0 -9.90774 5.0415163 -49.237297 1 4703 1 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 0 -9.677848 7.742268 -53.24984 1 4704 1 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 0 -9.725968 7.9547024 -54.695538 1 4705 1 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 0 -8.314067 7.7714367 -55.254314 1 4706 1 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 0 -7.3753157 8.409613 -54.77803 1 4707 1 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 0 -10.242801 9.365751 -54.998367 1 4708 1 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 0 -10.61549 9.571031 -56.459553 1 4709 1 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 0 -10.04404 8.890093 -57.340797 1 4710 1 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 0 -11.482049 10.431999 -56.74121 1 4711 1 +ATOM N N . SER C0 3 184 . 184 SER C0 N 0 -8.170195 6.9039927 -56.272224 1 4712 1 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 0 -6.848196 6.6180778 -56.82623 1 4713 1 +ATOM C C . SER C0 3 184 . 184 SER C0 C 0 -6.4234047 7.611822 -57.902378 1 4714 1 +ATOM O O . SER C0 3 184 . 184 SER C0 O 0 -5.2757015 7.5847807 -58.35146 1 4715 1 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 0 -6.8122973 5.2027845 -57.407127 1 4716 1 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 0 -7.7758484 5.0617523 -58.437862 1 4717 1 +ATOM N N . SER C0 3 185 . 185 SER C0 N 0 -7.3320665 8.513601 -58.344734 1 4718 1 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 0 -7.025937 9.491396 -59.373512 1 4719 1 +ATOM C C . SER C0 3 185 . 185 SER C0 C 0 -6.370849 10.732466 -58.771675 1 4720 1 +ATOM O O . SER C0 3 185 . 185 SER C0 O 0 -6.9647036 11.396986 -57.91512 1 4721 1 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 0 -8.29509 9.891694 -60.126244 1 4722 1 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 0 -8.045706 10.9704075 -61.015266 1 4723 1 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 0 -5.1731744 11.07703 -59.249012 1 4724 1 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 0 -4.4708285 12.248386 -58.751648 1 4725 1 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 0 -5.22758 13.535753 -59.064865 1 4726 1 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 0 -5.0712385 14.537842 -58.357132 1 4727 1 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 0 -3.0717587 12.310373 -59.34813 1 4728 1 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 0 -6.052556 13.534281 -60.112198 1 4729 1 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 0 -6.7834826 14.722551 -60.52375 1 4730 1 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 0 -7.951311 15.048767 -59.60259 1 4731 1 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 0 -8.374532 16.2048 -59.52469 1 4732 1 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 0 -7.284546 14.5566025 -61.964874 1 4733 1 +ATOM N N . THR C0 3 188 . 188 THR C0 N 0 -8.492104 14.061768 -58.882164 1 4734 1 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 0 -9.646376 14.271528 -58.024864 1 4735 1 +ATOM C C . THR C0 3 188 . 188 THR C0 C 0 -9.417495 13.908649 -56.562252 1 4736 1 +ATOM O O . THR C0 3 188 . 188 THR C0 O 0 -10.267449 14.202206 -55.709015 1 4737 1 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 0 -10.8597145 13.484602 -58.548325 1 4738 1 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 0 -10.514492 12.100906 -58.60391 1 4739 1 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 0 -11.273851 13.9626255 -59.94063 1 4740 1 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 0 -8.292124 13.278461 -56.24803 1 4741 1 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 0 -7.995804 12.866317 -54.875668 1 4742 1 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 0 -7.810178 14.07633 -53.968304 1 4743 1 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 0 -7.020088 14.981436 -54.27279 1 4744 1 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 0 -6.733387 11.995623 -54.846306 1 4745 1 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 0 -6.3837094 11.468884 -53.474598 1 4746 1 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 0 -5.1126976 10.632606 -53.53071 1 4747 1 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 0 -4.7452254 10.084841 -52.158173 1 4748 1 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 0 -5.7396965 9.05847 -51.70581 1 4749 1 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 0 -8.5386715 14.104382 -52.853706 1 4750 1 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 0 -8.441605 15.1892395 -51.87581 1 4751 1 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 0 -7.331257 14.91578 -50.873978 1 4752 1 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 0 -7.1987286 13.787924 -50.391594 1 4753 1 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 0 -9.758415 15.388041 -51.1222 1 4754 1 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 0 -10.822072 16.163887 -51.886925 1 4755 1 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 0 -11.5357275 15.266949 -52.895386 1 4756 1 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 0 -12.686315 16.019464 -53.559605 1 4757 1 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 0 -13.348794 15.152973 -54.567757 1 4758 1 +ATOM N N . THR C0 3 191 . 191 THR C0 N 0 -6.548938 15.920642 -50.55577 1 4759 1 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 0 -5.5517383 15.857362 -49.500416 1 4760 1 +ATOM C C . THR C0 3 191 . 191 THR C0 C 0 -5.786967 17.061855 -48.59509 1 4761 1 +ATOM O O . THR C0 3 191 . 191 THR C0 O 0 -6.4946632 18.001171 -48.966675 1 4762 1 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 0 -4.11065 15.883183 -50.04587 1 4763 1 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 0 -3.907116 17.07579 -50.795128 1 4764 1 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 0 -3.8423867 14.680034 -50.93451 1 4765 1 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 0 -5.219373 17.034824 -47.38527 1 4766 1 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 0 -5.4512215 18.14333 -46.464806 1 4767 1 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 0 -4.2813606 18.314472 -45.50261 1 4768 1 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 0 -3.5597901 17.366741 -45.21445 1 4769 1 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 0 -6.7395906 17.93669 -45.689278 1 4770 1 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 0 -4.120931 19.55574 -45.01855 1 4771 1 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 0 -3.0889666 19.892323 -44.054222 1 4772 1 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 0 -3.7408948 20.607695 -42.873016 1 4773 1 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 0 -4.573028 21.497448 -43.063644 1 4774 1 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 0 -2.0162048 20.77667 -44.678036 1 4775 1 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 0 -3.3517714 20.188915 -41.65756 1 4776 1 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 0 -3.9081185 20.773346 -40.434963 1 4777 1 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 0 -2.953262 21.80786 -39.844673 1 4778 1 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 0 -1.7499323 21.542814 -39.712593 1 4779 1 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 0 -4.194911 19.69485 -39.40098 1 4780 1 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 0 -4.6520557 20.18354 -38.06719 1 4781 1 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 0 -3.944238 20.129684 -36.893486 1 4782 1 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 0 -5.901455 20.784073 -37.750507 1 4783 1 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 0 -4.7029376 20.654745 -35.870102 1 4784 1 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 0 -5.8894715 21.069996 -36.365604 1 4785 1 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 0 -7.0349154 21.129492 -38.510918 1 4786 1 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 0 -6.978115 21.663765 -35.719963 1 4787 1 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 0 -8.116508 21.717857 -37.868362 1 4788 1 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 0 -8.069722 21.980782 -36.49498 1 4789 1 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 0 -3.4672625 22.971039 -39.51937 1 4790 1 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 0 -2.6964507 24.033783 -38.876915 1 4791 1 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 0 -3.2727036 24.215504 -37.47296 1 4792 1 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 0 -4.344001 24.807144 -37.30952 1 4793 1 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 0 -2.7942014 25.336372 -39.679993 1 4794 1 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 0 -1.9186078 26.43668 -39.11397 1 4795 1 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 0 -1.6935446 26.509785 -37.909054 1 4796 1 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 0 -1.4265094 27.319382 -39.985542 1 4797 1 +ATOM N N . SER C0 3 196 . 196 SER C0 N 0 -2.5618749 23.695278 -36.464725 1 4798 1 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 0 -3.0565891 23.755455 -35.097435 1 4799 1 +ATOM C C . SER C0 3 196 . 196 SER C0 C 0 -3.101099 25.169804 -34.541183 1 4800 1 +ATOM O O . SER C0 3 196 . 196 SER C0 O 0 -3.9042459 25.466871 -33.653828 1 4801 1 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 0 -2.203227 22.86784 -34.1905 1 4802 1 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 0 -0.8613417 23.306347 -34.166847 1 4803 1 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 0 -2.2517724 26.06464 -35.06259 1 4804 1 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 0 -2.2332218 27.435438 -34.594437 1 4805 1 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 0 -3.497806 28.203299 -34.92504 1 4806 1 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 0 -3.9213343 29.073456 -34.16432 1 4807 1 +ATOM N N . THR C0 3 198 . 198 THR C0 N 0 -4.107732 27.888916 -36.082703 1 4808 1 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 0 -5.325959 28.548954 -36.515446 1 4809 1 +ATOM C C . THR C0 3 198 . 198 THR C0 C 0 -6.5382113 27.625721 -36.5019 1 4810 1 +ATOM O O . THR C0 3 198 . 198 THR C0 O 0 -7.638376 28.041544 -36.85915 1 4811 1 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 0 -5.1605616 29.135515 -37.93296 1 4812 1 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 0 -4.8269234 28.07706 -38.838364 1 4813 1 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 0 -4.0594645 30.191053 -37.980095 1 4814 1 +ATOM N N . SER C0 3 199 . 199 SER C0 N 0 -6.3328114 26.38161 -36.09977 1 4815 1 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 0 -7.390218 25.370153 -36.078697 1 4816 1 +ATOM C C . SER C0 3 199 . 199 SER C0 C 0 -8.058127 25.26401 -37.446728 1 4817 1 +ATOM O O . SER C0 3 199 . 199 SER C0 O 0 -9.278963 25.23016 -37.554085 1 4818 1 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 0 -8.423717 25.700727 -35.00217 1 4819 1 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 0 -7.8337936 25.728283 -33.719128 1 4820 1 +ATOM N N . THR C0 3 200 . 200 THR C0 N 0 -7.225499 25.199451 -38.48577 1 4821 1 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 0 -7.7059155 25.198856 -39.85649 1 4822 1 +ATOM C C . THR C0 3 200 . 200 THR C0 C 0 -7.251042 23.967812 -40.62667 1 4823 1 +ATOM O O . THR C0 3 200 . 200 THR C0 O 0 -6.0712414 23.6179 -40.59839 1 4824 1 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 0 -7.231619 26.462978 -40.59716 1 4825 1 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 0 -7.6930285 27.618126 -39.916065 1 4826 1 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 0 -7.7423363 26.489689 -42.03971 1 4827 1 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 0 -8.197947 23.327911 -41.32791 1 4828 1 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 0 -7.8924675 22.21415 -42.218994 1 4829 1 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 0 -8.003748 22.7454 -43.643116 1 4830 1 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 0 -9.079472 23.169447 -44.06279 1 4831 1 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 0 -8.871096 21.058762 -42.02197 1 4832 1 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 0 -8.543151 19.784466 -42.810963 1 4833 1 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 0 -9.775061 18.908182 -42.990112 1 4834 1 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 0 -7.4252276 19.021166 -42.116127 1 4835 1 +ATOM N N . THR C0 3 202 . 202 THR C0 N 0 -6.894113 22.721457 -44.37735 1 4836 1 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 0 -6.88599 23.203602 -45.747505 1 4837 1 +ATOM C C . THR C0 3 202 . 202 THR C0 C 0 -6.9440107 22.012344 -46.69582 1 4838 1 +ATOM O O . THR C0 3 202 . 202 THR C0 O 0 -6.0450897 21.16702 -46.687927 1 4839 1 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 0 -5.6343617 24.049543 -46.035324 1 4840 1 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 0 -5.614962 25.169193 -45.156006 1 4841 1 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 0 -5.6214633 24.54192 -47.48295 1 4842 1 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 0 -8.000713 21.949814 -47.50757 1 4843 1 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 0 -8.192379 20.837013 -48.43241 1 4844 1 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 0 -7.6067553 21.206028 -49.79634 1 4845 1 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 0 -7.8246183 22.308395 -50.29588 1 4846 1 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 0 -9.68886 20.476864 -48.57146 1 4847 1 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 0 -10.2455015 20.077961 -47.19841 1 4848 1 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 0 -9.888836 19.34373 -49.587975 1 4849 1 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 0 -11.741353 19.815842 -47.18366 1 4850 1 +ATOM N N . THR C0 3 204 . 204 THR C0 N 0 -6.8863688 20.262323 -50.399315 1 4851 1 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 0 -6.216016 20.47017 -51.6715 1 4852 1 +ATOM C C . THR C0 3 204 . 204 THR C0 C 0 -6.607007 19.377254 -52.66415 1 4853 1 +ATOM O O . THR C0 3 204 . 204 THR C0 O 0 -6.72582 18.213385 -52.28706 1 4854 1 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 0 -4.690386 20.48058 -51.485703 1 4855 1 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 0 -4.328355 21.545177 -50.613644 1 4856 1 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 0 -3.9639757 20.655453 -52.81846 1 4857 1 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 0 -6.814594 19.765339 -53.93559 1 4858 1 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 0 -7.091872 18.819187 -55.014473 1 4859 1 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 0 -6.188955 19.183739 -56.194504 1 4860 1 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 0 -6.1458354 20.340343 -56.60817 1 4861 1 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 0 -8.565171 18.86992 -55.459694 1 4862 1 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 0 -8.802968 17.889534 -56.614357 1 4863 1 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 0 -9.49211 18.555481 -54.299355 1 4864 1 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 0 -5.472395 18.233717 -56.71071 1 4865 1 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 0 -4.5733776 18.42902 -57.84862 1 4866 1 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 0 -3.636269 19.618845 -57.610435 1 4867 1 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 0 -3.4754333 20.492973 -58.476368 1 4868 1 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 0 -5.3981934 18.631016 -59.12887 1 4869 1 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 0 -4.5649834 18.44765 -60.388023 1 4870 1 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 0 -3.5477777 17.752304 -60.374413 1 4871 1 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 0 -4.998516 19.056885 -61.49005 1 4872 1 +ATOM N N . SER C0 3 207 . 207 SER C0 N 0 -3.0540879 19.682524 -56.44265 1 4873 1 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 0 -2.0913765 20.69717 -56.01545 1 4874 1 +ATOM C C . SER C0 3 207 . 207 SER C0 C 0 -2.681984 22.094597 -55.872787 1 4875 1 +ATOM O O . SER C0 3 207 . 207 SER C0 O 0 -1.9359442 23.066742 -55.729046 1 4876 1 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 0 -0.8894224 20.746017 -56.96174 1 4877 1 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 0 -0.2288573 19.496622 -56.993004 1 4878 1 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 0 -4.008234 22.230751 -55.889412 1 4879 1 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 0 -4.6626735 23.51178 -55.691387 1 4880 1 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 0 -5.514017 23.484222 -54.428604 1 4881 1 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 0 -6.3108172 22.550016 -54.234943 1 4882 1 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 0 -5.5555496 23.877094 -56.890022 1 4883 1 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 0 -4.806891 24.231014 -58.145065 1 4884 1 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 0 -5.7327824 24.871904 -59.189575 1 4885 1 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 0 -6.9462976 24.002583 -59.501472 1 4886 1 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 0 -7.7962456 24.613876 -60.537716 1 4887 1 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 0 -5.3407354 24.506058 -53.597145 1 4888 1 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 0 -6.1675534 24.60953 -52.39872 1 4889 1 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 0 -7.6044726 24.907207 -52.826534 1 4890 1 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 0 -7.83689 25.738949 -53.716896 1 4891 1 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 0 -5.644334 25.717709 -51.478638 1 4892 1 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 0 -4.264783 25.439377 -50.91965 1 4893 1 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 0 -3.774676 26.618717 -50.089577 1 4894 1 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 0 -2.371244 26.352764 -49.57733 1 4895 1 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 0 -1.8356634 27.497566 -48.82403 1 4896 1 +ATOM N N . THR C0 3 210 . 210 THR C0 N 0 -8.560523 24.228409 -52.20198 1 4897 1 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 0 -9.954527 24.426678 -52.56269 1 4898 1 +ATOM C C . THR C0 3 210 . 210 THR C0 C 0 -10.804613 24.996033 -51.431473 1 4899 1 +ATOM O O . THR C0 3 210 . 210 THR C0 O 0 -11.693252 25.805412 -51.69005 1 4900 1 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 0 -10.604244 23.11095 -53.041615 1 4901 1 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 0 -10.537176 22.143269 -51.99068 1 4902 1 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 0 -9.888237 22.565306 -54.269985 1 4903 1 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 0 -10.566984 24.570059 -50.19504 1 4904 1 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 0 -11.374441 25.019701 -49.061077 1 4905 1 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 0 -10.56436 25.076435 -47.776276 1 4906 1 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 0 -9.586635 24.332844 -47.612923 1 4907 1 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 0 -12.568222 24.081453 -48.82375 1 4908 1 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 0 -13.561117 23.997452 -49.960793 1 4909 1 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 0 -14.676591 23.012403 -49.622543 1 4910 1 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 0 -15.702347 22.92245 -50.743305 1 4911 1 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 0 -15.145091 22.255291 -51.922386 1 4912 1 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 0 -11.004608 25.9314 -46.859993 1 4913 1 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 0 -10.501903 25.96258 -45.49504 1 4914 1 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 0 -11.671 25.641697 -44.5736 1 4915 1 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 0 -12.723533 26.278208 -44.656925 1 4916 1 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 0 -9.948948 27.349201 -45.13571 1 4917 1 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 0 -8.470389 27.506027 -45.420822 1 4918 1 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 0 -7.8651047 26.564714 -45.977516 1 4919 1 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 0 -7.921805 28.574207 -45.075153 1 4920 1 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 0 -11.485243 24.650549 -43.714325 1 4921 1 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 0 -12.460085 24.33929 -42.676777 1 4922 1 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 0 -11.839663 24.808071 -41.365814 1 4923 1 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 0 -10.754292 24.344076 -40.990997 1 4924 1 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 0 -12.756645 22.840147 -42.61387 1 4925 1 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 0 -13.634986 22.258356 -43.719124 1 4926 1 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 0 -13.567985 20.735214 -43.679977 1 4927 1 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 0 -15.066088 22.732477 -43.571957 1 4928 1 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 0 -12.497837 25.741905 -40.68251 1 4929 1 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 0 -11.971409 26.276243 -39.42691 1 4930 1 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 0 -12.803948 25.743599 -38.265465 1 4931 1 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 0 -14.025425 25.89566 -38.24147 1 4932 1 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 0 -11.971668 27.821045 -39.41635 1 4933 1 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 0 -11.417375 28.340288 -38.095673 1 4934 1 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 0 -11.163691 28.36119 -40.593735 1 4935 1 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 0 -12.112344 25.098759 -37.309525 1 4936 1 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 0 -12.763227 24.542292 -36.120483 1 4937 1 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 0 -12.51523 25.520428 -34.97776 1 4938 1 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 0 -11.428105 25.539646 -34.39196 1 4939 1 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 0 -12.202376 23.151253 -35.814415 1 4940 1 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 0 -12.533942 22.13092 -36.868904 1 4941 1 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 0 -11.902298 22.1552 -38.104576 1 4942 1 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 0 -13.487056 21.15937 -36.63951 1 4943 1 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 0 -12.21995 21.231216 -39.089428 1 4944 1 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 0 -13.801041 20.230618 -37.621864 1 4945 1 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 0 -13.1734085 20.26402 -38.85015 1 4946 1 +ATOM N N . THR C0 3 216 . 216 THR C0 N 0 -13.503516 26.34673 -34.64852 1 4947 1 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 0 -13.333954 27.449211 -33.708282 1 4948 1 +ATOM C C . THR C0 3 216 . 216 THR C0 C 0 -13.368441 26.997501 -32.238087 1 4949 1 +ATOM O O . THR C0 3 216 . 216 THR C0 O 0 -13.793486 25.892895 -31.91908 1 4950 1 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 0 -14.41807 28.524513 -33.91948 1 4951 1 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 0 -15.663631 28.031384 -33.416786 1 4952 1 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 0 -14.575116 28.869408 -35.39794 1 4953 1 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 0 -12.907734 27.910873 -31.363499 1 4954 1 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 0 -12.929752 27.648046 -29.931614 1 4955 1 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 0 -14.351582 27.60735 -29.385098 1 4956 1 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 0 -14.577008 27.0724 -28.299164 1 4957 1 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 0 -12.108091 28.706852 -29.181896 1 4958 1 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 0 -10.6123295 28.593021 -29.410652 1 4959 1 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 0 -9.84573 29.534204 -28.488369 1 4960 1 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 0 -8.346104 29.329737 -28.626682 1 4961 1 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 0 -7.5906677 30.166437 -27.66704 1 4962 1 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 0 -15.3000555 28.163422 -30.125946 1 4963 1 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 0 -16.706612 28.135963 -29.737183 1 4964 1 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 0 -17.383041 26.856682 -30.22039 1 4965 1 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 0 -18.594229 26.725204 -30.145796 1 4966 1 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 0 -17.450775 29.355377 -30.29043 1 4967 1 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 0 -17.010548 30.68679 -29.672295 1 4968 1 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 0 -15.654144 31.157444 -30.1569 1 4969 1 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 0 -14.954201 31.82341 -29.376957 1 4970 1 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 0 -15.279187 30.859648 -31.317362 1 4971 1 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 0 -16.582006 25.930809 -30.72014 1 4972 1 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 0 -17.034576 24.633148 -31.222052 1 4973 1 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 0 -18.008009 24.768057 -32.394245 1 4974 1 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 0 -18.998 24.050037 -32.489094 1 4975 1 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 0 -17.64649 23.804325 -30.09232 1 4976 1 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 0 -16.6189 23.448963 -29.052074 1 4977 1 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 0 -15.5842285 22.855095 -29.372675 1 4978 1 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 0 -16.877407 23.811293 -27.803787 1 4979 1 +ATOM N N . THR C0 3 220 . 220 THR C0 N 0 -17.695415 25.726776 -33.28192 1 4980 1 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 0 -18.406916 25.864117 -34.540897 1 4981 1 +ATOM C C . THR C0 3 220 . 220 THR C0 C 0 -17.418259 25.561436 -35.653038 1 4982 1 +ATOM O O . THR C0 3 220 . 220 THR C0 O 0 -16.19814 25.614162 -35.446777 1 4983 1 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 0 -18.97394 27.289864 -34.741753 1 4984 1 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 0 -17.905252 28.230759 -34.71629 1 4985 1 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 0 -19.993303 27.636892 -33.670635 1 4986 1 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 0 -17.942192 25.20818 -36.827633 1 4987 1 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 0 -17.097328 24.930988 -37.978123 1 4988 1 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 0 -17.523249 25.86827 -39.103256 1 4989 1 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 0 -18.715378 25.996305 -39.38614 1 4990 1 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 0 -17.223019 23.468775 -38.449318 1 4991 1 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 0 -16.967598 22.508043 -37.289825 1 4992 1 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 0 -16.263792 23.182735 -39.60707 1 4993 1 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 0 -17.28712 21.051424 -37.611755 1 4994 1 +ATOM N N . THR C0 3 222 . 222 THR C0 N 0 -16.540194 26.521233 -39.73528 1 4995 1 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 0 -16.834393 27.37864 -40.870193 1 4996 1 +ATOM C C . THR C0 3 222 . 222 THR C0 C 0 -16.094795 26.862469 -42.097668 1 4997 1 +ATOM O O . THR C0 3 222 . 222 THR C0 O 0 -15.053331 26.20042 -41.976166 1 4998 1 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 0 -16.431345 28.845894 -40.621193 1 4999 1 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 0 -15.019461 28.929628 -40.47617 1 5000 1 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 0 -17.110489 29.406223 -39.38548 1 5001 1 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 0 -16.643639 27.157248 -43.265083 1 5002 1 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 0 -15.996071 26.754662 -44.51249 1 5003 1 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 0 -15.863308 27.996422 -45.394558 1 5004 1 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 0 -16.765495 28.84056 -45.44337 1 5005 1 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 0 -16.797188 25.648872 -45.24272 1 5006 1 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 0 -16.047585 25.192225 -46.505104 1 5007 1 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 0 -18.199425 26.107784 -45.600044 1 5008 1 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 0 -14.724409 28.126999 -46.0627 1 5009 1 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 0 -14.479465 29.237518 -46.97947 1 5010 1 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 0 -13.752106 28.707054 -48.19989 1 5011 1 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 0 -12.85519 27.86435 -48.078285 1 5012 1 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 0 -13.670103 30.338926 -46.2953 1 5013 1 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 0 -13.572216 31.613583 -47.12486 1 5014 1 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 0 -12.9888115 32.78404 -46.356857 1 5015 1 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 0 -12.45262 32.615623 -45.27015 1 5016 1 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 0 -13.10249 33.989826 -46.919636 1 5017 1 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 0 -14.141903 29.215399 -49.396713 1 5018 1 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 0 -13.579517 28.74507 -50.659176 1 5019 1 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 0 -12.335087 29.524853 -51.05323 1 5020 1 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 0 -12.2030945 30.702038 -50.727318 1 5021 1 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 0 -14.606996 28.877892 -51.795788 1 5022 1 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 0 -15.972228 28.293114 -51.48477 1 5023 1 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 0 -15.932642 26.796495 -51.3014 1 5024 1 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 0 -15.293708 26.082607 -52.07572 1 5025 1 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 0 -16.604427 26.313118 -50.267326 1 5026 1 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 0 -11.439508 28.828466 -51.770073 1 5027 1 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 0 -10.29468 29.487997 -52.37851 1 5028 1 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 0 -10.659235 29.88977 -53.80705 1 5029 1 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 0 -11.622729 29.36659 -54.390316 1 5030 1 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 0 -9.071881 28.569834 -52.420532 1 5031 1 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 0 -8.287985 28.531372 -51.132805 1 5032 1 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 0 -8.668232 27.697693 -50.099876 1 5033 1 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 0 -7.1635814 29.326872 -50.961525 1 5034 1 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 0 -7.9481716 27.662922 -48.917664 1 5035 1 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 0 -6.4459 29.292053 -49.777725 1 5036 1 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 0 -6.841896 28.455074 -48.76361 1 5037 1 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 0 -6.1258287 28.42468 -47.60684 1 5038 1 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 0 -9.904199 30.83709 -54.399128 1 5039 1 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 0 -10.146566 31.230303 -55.783836 1 5040 1 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 0 -9.757261 30.08865 -56.712425 1 5041 1 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 0 -9.218351 29.065413 -56.262924 1 5042 1 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 0 -9.410623 32.526527 -56.14515 1 5043 1 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 0 -7.902798 32.456192 -55.963882 1 5044 1 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 0 -7.377753 31.381641 -55.588577 1 5045 1 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 0 -7.2273808 33.484264 -56.212868 1 5046 1 +ATOM N N . SER C0 3 228 . 228 SER C0 N 0 -10.032953 30.225708 -58.0007 1 5047 1 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 0 -9.845126 29.14787 -58.971924 1 5048 1 +ATOM C C . SER C0 3 228 . 228 SER C0 C 0 -8.40601 28.655495 -59.065044 1 5049 1 +ATOM O O . SER C0 3 228 . 228 SER C0 O 0 -8.199571 27.487013 -59.404205 1 5050 1 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 0 -10.3251915 29.604992 -60.35974 1 5051 1 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 0 -9.596737 30.732182 -60.813416 1 5052 1 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 0 -7.4143233 29.505157 -58.776306 1 5053 1 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 0 -6.0332494 29.051506 -58.827927 1 5054 1 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 0 -5.535831 28.566929 -57.4564 1 5055 1 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 0 -4.3772163 28.181099 -57.31823 1 5056 1 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 0 -5.10684 30.136423 -59.396362 1 5057 1 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 0 -5.14646 31.428406 -58.61722 1 5058 1 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 0 -5.394357 31.439262 -57.414387 1 5059 1 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 0 -4.881525 32.539932 -59.303436 1 5060 1 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 0 -6.406326 28.581886 -56.435097 1 5061 1 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 0 -6.104381 28.070248 -55.111504 1 5062 1 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 0 -5.0887747 28.865799 -54.308838 1 5063 1 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 0 -4.455102 28.312504 -53.40419 1 5064 1 +ATOM N N . THR C0 3 231 . 231 THR C0 N 0 -4.945732 30.158356 -54.57663 1 5065 1 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 0 -3.9412918 30.962643 -53.896603 1 5066 1 +ATOM C C . THR C0 3 231 . 231 THR C0 C 0 -4.5218053 31.918835 -52.846554 1 5067 1 +ATOM O O . THR C0 3 231 . 231 THR C0 O 0 -3.820372 32.285774 -51.901314 1 5068 1 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 0 -3.1126137 31.786243 -54.90741 1 5069 1 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 0 -3.9748898 32.64953 -55.64811 1 5070 1 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 0 -2.3735752 30.875399 -55.876404 1 5071 1 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 0 -5.775584 32.35083 -53.00605 1 5072 1 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 0 -6.3802533 33.281494 -52.06485 1 5073 1 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 0 -7.7958875 32.85337 -51.693268 1 5074 1 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 0 -8.541012 32.342686 -52.541756 1 5075 1 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 0 -6.4210906 34.712532 -52.645683 1 5076 1 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 0 -5.053294 35.340256 -52.85939 1 5077 1 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 0 -5.1612253 36.825386 -53.21516 1 5078 1 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 0 -5.927566 37.072983 -54.506256 1 5079 1 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 0 -5.9477396 38.508675 -54.850914 1 5080 1 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 0 -8.14458 33.0878 -50.43397 1 5081 1 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 0 -9.508972 32.817898 -49.991676 1 5082 1 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 0 -10.418882 33.886898 -50.58658 1 5083 1 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 0 -10.032369 35.060303 -50.67971 1 5084 1 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 0 -9.597072 32.85962 -48.463615 1 5085 1 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 0 -8.938856 31.68053 -47.73963 1 5086 1 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 0 -8.714687 32.02525 -46.27848 1 5087 1 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 0 -9.81025 30.441357 -47.872738 1 5088 1 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 0 -11.61804 33.494614 -51.00325 1 5089 1 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 0 -12.55829 34.456825 -51.561134 1 5090 1 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 0 -13.91308 34.328472 -50.881424 1 5091 1 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 0 -14.2020035 33.32621 -50.218025 1 5092 1 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 0 -12.706133 34.271057 -53.074932 1 5093 1 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 0 -13.318643 32.9447 -53.4881 1 5094 1 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 0 -13.436317 32.801277 -54.991158 1 5095 1 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 0 -12.881689 33.632545 -55.737488 1 5096 1 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 0 -14.096215 31.839294 -55.44868 1 5097 1 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 0 -14.701389 35.361282 -51.029312 1 5098 1 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 0 -16.01221 35.359497 -50.40567 1 5099 1 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 0 -15.919015 35.487156 -48.900486 1 5100 1 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 0 -14.964788 36.06109 -48.371193 1 5101 1 +ATOM N N . SER C0 3 236 . 236 SER C0 N 0 -16.902187 34.933067 -48.203926 1 5102 1 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 0 -16.926664 34.983788 -46.74819 1 5103 1 +ATOM C C . SER C0 3 236 . 236 SER C0 C 0 -16.99859 33.584694 -46.162872 1 5104 1 +ATOM O O . SER C0 3 236 . 236 SER C0 O 0 -17.427204 32.638783 -46.82952 1 5105 1 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 0 -18.12764 35.817005 -46.272137 1 5106 1 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 0 -19.343605 35.226208 -46.7091 1 5107 1 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 0 -16.543026 33.44246 -44.929436 1 5108 1 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 0 -16.625072 32.169186 -44.23226 1 5109 1 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 0 -18.088673 31.91432 -43.88536 1 5110 1 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 0 -18.7836 32.808754 -43.40055 1 5111 1 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 0 -15.766598 32.20077 -42.97804 1 5112 1 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 0 -18.555248 30.683912 -44.135464 1 5113 1 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 0 -19.935936 30.314434 -43.864445 1 5114 1 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 0 -19.957294 29.270311 -42.74698 1 5115 1 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 0 -19.24152 28.268932 -42.814896 1 5116 1 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 0 -20.617126 29.752068 -45.127087 1 5117 1 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 0 -22.043606 29.323296 -44.82135 1 5118 1 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 0 -20.594677 30.788322 -46.253464 1 5119 1 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 0 -20.759094 29.531366 -41.72222 1 5120 1 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 0 -20.846157 28.594555 -40.60923 1 5121 1 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 0 -21.648113 27.361282 -41.01126 1 5122 1 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 0 -22.72902 27.46801 -41.589462 1 5123 1 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 0 -21.495043 29.273647 -39.393158 1 5124 1 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 0 -21.550976 28.349304 -38.18359 1 5125 1 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 0 -22.03823 29.021673 -36.922047 1 5126 1 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 0 -21.707626 30.217361 -36.728043 1 5127 1 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 0 -22.740088 28.383286 -36.118645 1 5128 1 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 0 -21.105606 26.203812 -40.69896 1 5129 1 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 0 -21.779266 24.937265 -40.983864 1 5130 1 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 0 -22.801207 24.683096 -39.877182 1 5131 1 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 0 -22.463089 24.71674 -38.6922 1 5132 1 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 0 -20.757755 23.788229 -41.081245 1 5133 1 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 0 -19.952618 23.952301 -42.376587 1 5134 1 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 0 -21.448254 22.43161 -41.02617 1 5135 1 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 0 -18.802969 22.981853 -42.530556 1 5136 1 +ATOM N N . THR C0 3 241 . 241 THR C0 N 0 -24.04544 24.43925 -40.244274 1 5137 1 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 0 -25.104317 24.22275 -39.27332 1 5138 1 +ATOM C C . THR C0 3 241 . 241 THR C0 C 0 -25.767452 22.857166 -39.406883 1 5139 1 +ATOM O O . THR C0 3 241 . 241 THR C0 O 0 -26.636288 22.522364 -38.60436 1 5140 1 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 0 -26.189604 25.314346 -39.38407 1 5141 1 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 0 -26.75107 25.280834 -40.697327 1 5142 1 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 0 -25.60194 26.702042 -39.12612 1 5143 1 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 0 -25.397888 22.096554 -40.434814 1 5144 1 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 0 -25.940985 20.76503 -40.66285 1 5145 1 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 0 -24.827585 19.813374 -41.07263 1 5146 1 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 0 -23.852425 20.229498 -41.70618 1 5147 1 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 0 -27.02105 20.78687 -41.764492 1 5148 1 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 0 -28.249994 21.601358 -41.4185 1 5149 1 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 0 -29.283527 21.546309 -42.542717 1 5150 1 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 0 -28.810394 22.278751 -43.789467 1 5151 1 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 0 -29.841705 22.298538 -44.841347 1 5152 1 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 0 -24.986322 18.530949 -40.725285 1 5153 1 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 0 -23.980297 17.524372 -41.079224 1 5154 1 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 0 -23.806131 17.437725 -42.595093 1 5155 1 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 0 -22.697098 17.231407 -43.08544 1 5156 1 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 0 -24.386642 16.153877 -40.522667 1 5157 1 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 0 -23.411842 15.001345 -40.77987 1 5158 1 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 0 -23.986256 13.697857 -40.229362 1 5159 1 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 0 -22.058578 15.3014765 -40.164146 1 5160 1 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 0 -24.908524 17.595383 -43.34066 1 5161 1 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 0 -24.847382 17.534025 -44.797745 1 5162 1 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 0 -23.914722 18.59822 -45.36703 1 5163 1 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 0 -23.308489 18.38632 -46.415962 1 5164 1 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 0 -26.25042 17.712742 -45.402912 1 5165 1 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 0 -27.122795 16.48364 -45.252663 1 5166 1 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 0 -26.57849 15.379387 -45.03588 1 5167 1 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 0 -28.356466 16.622707 -45.355965 1 5168 1 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 0 -23.798038 19.750431 -44.68653 1 5169 1 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 0 -22.92025 20.8143 -45.15081 1 5170 1 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 0 -21.446507 20.440289 -44.989906 1 5171 1 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 0 -20.604769 20.879438 -45.77118 1 5172 1 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 0 -23.231537 22.123327 -44.409153 1 5173 1 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 0 -24.628769 22.635328 -44.732224 1 5174 1 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 0 -25.043137 23.825762 -43.898056 1 5175 1 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 0 -26.152866 24.349104 -44.126938 1 5176 1 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 0 -24.278133 24.240053 -43.001255 1 5177 1 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 0 -21.114178 19.634268 -43.956287 1 5178 1 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 0 -19.7435 19.142887 -43.818314 1 5179 1 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 0 -19.46326 18.161678 -44.949806 1 5180 1 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 0 -18.40659 18.210869 -45.57872 1 5181 1 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 0 -19.511263 18.452648 -42.45913 1 5182 1 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 0 -19.836487 19.408531 -41.30733 1 5183 1 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 0 -18.064102 17.962576 -42.36461 1 5184 1 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 0 -19.631577 18.786276 -39.924232 1 5185 1 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 0 -20.440205 17.280558 -45.216797 1 5186 1 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 0 -20.283365 16.308952 -46.297672 1 5187 1 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 0 -20.098171 17.022505 -47.63452 1 5188 1 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 0 -19.26061 16.614462 -48.451233 1 5189 1 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 0 -21.492788 15.371233 -46.35897 1 5190 1 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 0 -21.59741 14.431265 -45.168694 1 5191 1 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 0 -22.795105 13.496629 -45.33121 1 5192 1 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 0 -22.873856 12.526598 -44.164528 1 5193 1 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 0 -24.024796 11.603594 -44.292915 1 5194 1 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 0 -20.863983 18.109135 -47.859352 1 5195 1 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 0 -20.732174 18.884005 -49.09363 1 5196 1 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 0 -19.34087 19.489746 -49.215233 1 5197 1 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 0 -18.783966 19.564552 -50.306927 1 5198 1 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 0 -21.78661 19.997013 -49.135788 1 5199 1 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 0 -23.186312 19.45971 -49.37285 1 5200 1 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 0 -23.356737 18.34304 -49.856045 1 5201 1 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 0 -24.196632 20.253073 -49.03263 1 5202 1 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 0 -18.75438 19.919168 -48.103348 1 5203 1 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 0 -17.425964 20.513205 -48.111443 1 5204 1 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 0 -16.35732 19.481617 -48.431435 1 5205 1 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 0 -15.259195 19.850227 -48.85939 1 5206 1 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 0 -17.13655 21.163845 -46.76745 1 5207 1 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 0 -16.657917 18.207088 -48.237072 1 5208 1 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 0 -15.70331 17.13459 -48.487885 1 5209 1 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 0 -15.786911 16.60023 -49.920486 1 5210 1 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 0 -14.913637 15.837274 -50.339737 1 5211 1 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 0 -15.917448 15.982344 -47.506245 1 5212 1 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 0 -15.761992 16.333084 -46.033295 1 5213 1 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 0 -16.064074 15.108461 -45.18983 1 5214 1 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 0 -14.373534 16.871128 -45.738228 1 5215 1 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 0 -16.814499 16.999704 -50.6784 1 5216 1 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 0 -16.972971 16.542461 -52.053528 1 5217 1 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 0 -15.899429 17.119453 -52.961266 1 5218 1 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 0 -15.415567 18.228971 -52.72975 1 5219 1 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 0 -18.349232 16.930843 -52.600235 1 5220 1 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 0 -19.484756 16.162334 -51.951897 1 5221 1 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 0 -20.82286 16.610277 -52.551052 1 5222 1 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 0 -21.968693 15.855004 -51.895164 1 5223 1 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 0 -23.255684 16.300047 -52.393578 1 5224 1 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 0 -15.460415 16.43488 -53.89929 1 5225 1 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 0 4.9438105 -5.7745028 -6.6888943 1 5226 1 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 0 5.772835 -6.8294067 -6.73732 1 5227 1 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 0 3.74954 -5.9559174 -7.5363636 1 5228 1 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 0 2.9913201 -4.839919 -7.5807147 1 5229 1 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 0 4.3231173 -9.235008 9.515007 1 5230 1 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 0 4.8191977 -8.057067 9.967853 1 5231 1 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 0 2.844023 -9.210005 9.411701 1 5232 1 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 0 2.3500218 -10.4200325 9.0501795 1 5233 1 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 0 -10.458294 -22.101345 -12.619421 1 5234 1 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 0 -11.049748 -22.3512 -13.794951 1 5235 1 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 0 -9.078514 -22.618053 -12.564955 1 5236 1 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 0 -8.480443 -22.301743 -11.376391 1 5237 1 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 0 20.017288 -32.003517 23.445366 1 5238 1 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 0 21.329641 -32.010803 23.21334 1 5239 1 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 0 19.246037 -32.50783 22.2882 1 5240 1 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 0 17.923878 -32.257256 22.436073 1 5241 1 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 0 38.366203 -22.197952 9.303857 1 5242 1 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 0 39.3098 -22.48901 8.413812 1 5243 1 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 0 38.39003 -20.787403 9.725546 1 5244 1 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 0 37.391262 -20.522942 10.6075325 1 5245 1 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 0 17.05325 4.5890417 13.518817 1 5246 1 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 0 17.092459 4.4728703 14.864164 1 5247 1 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 0 16.073265 5.6185455 13.079463 1 5248 1 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 0 15.962131 5.6555557 11.728948 1 5249 1 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 0 3.062136 -3.5126138 -4.8281374 1 5250 1 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 0 12.84127 -10.961626 23.119587 1 5251 1 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 0 -4.867955 -7.508491 -18.533144 1 5252 1 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 0 -7.195035 10.743688 18.444397 1 5253 1 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 0 20.342682 -17.036755 16.9477 1 5254 1 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 0 11.835754 -25.687824 36.089813 1 5255 1 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 0 29.50755 -27.918854 27.832613 1 5256 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +4 non-polymer +5 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_4.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_4.cif new file mode 100644 index 0000000000000000000000000000000000000000..5e9d036c0a8eb6ecf0910b563b83fb4efa20fa67 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_4.cif @@ -0,0 +1,6681 @@ +data_8tuz-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 85.16 22.076424 2.477869 -11.406746 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 87.89 20.959793 3.0765767 -10.700387 1 2 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 90.23 19.651066 2.4504395 -11.152411 1 3 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 88.67 19.42307 2.2736278 -12.360271 1 4 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 83.98 20.937782 4.587159 -10.927465 1 5 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 79.3 19.844212 5.299778 -10.152704 1 6 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 76.17 19.901531 6.7924066 -10.334493 1 7 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 72.27 20.437792 7.244822 -11.369162 1 8 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 71.09 19.409935 7.529441 -9.449523 1 9 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 91.8 18.792336 2.113772 -10.214605 1 10 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 92.58 17.50668 1.4946152 -10.519622 1 11 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 92.97 16.61318 2.4743073 -11.279752 1 12 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 92.58 16.446384 3.624626 -10.865776 1 13 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 91.41 16.797062 1.0292985 -9.229961 1 14 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 89.84 15.411378 0.48185652 -9.554594 1 15 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 88.67 17.636467 -0.005363402 -8.501289 1 16 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 95.31 16.037098 2.0140462 -12.38789 1 17 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 94.92 15.120935 2.822261 -13.183411 1 18 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 95.7 13.987061 1.9610112 -13.718601 1 19 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 94.92 14.200997 0.7937323 -14.076152 1 20 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 93.75 15.839029 3.487158 -14.362144 1 21 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 89.84 16.840813 4.559006 -13.958855 1 22 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 87.5 17.427002 5.2748837 -15.162564 1 23 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 83.98 17.36257 4.784553 -16.282145 1 24 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 82.81 18.004116 6.452715 -14.933467 1 25 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 96.09 12.795893 2.5306902 -13.769766 1 26 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 96.09 11.639296 1.9072132 -14.394321 1 27 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 96.09 11.095913 2.9149075 -15.398596 1 28 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 95.7 10.648945 3.9948297 -15.014011 1 29 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 96.09 10.565808 1.552572 -13.355902 1 30 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 95.31 10.91857 0.45309427 -12.347157 1 31 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 94.14 9.842305 0.3595742 -11.274335 1 32 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 93.75 11.091291 -0.8795172 -13.04936 1 33 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 95.7 11.175927 2.5810091 -16.691433 1 34 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 95.7 10.75757 3.4929986 -17.757277 1 35 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 95.7 9.524903 2.9298496 -18.453299 1 36 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 96.09 9.559714 1.8221219 -19.000278 1 37 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 95.7 11.888861 3.7160165 -18.781483 1 38 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 94.14 11.423644 4.653044 -19.890497 1 39 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 94.14 13.129389 4.2787085 -18.085564 1 40 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 96.09 8.434569 3.697326 -18.423935 1 41 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 96.09 7.175733 3.2491918 -18.998621 1 42 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 95.31 6.9794416 3.7609982 -20.423702 1 43 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 94.53 7.6350856 4.7217226 -20.846573 1 44 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 96.09 6.0010085 3.6897092 -18.115513 1 45 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 95.31 6.0593863 3.100205 -16.72 1 46 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 96.48 4.890003 3.4795737 -15.846939 1 47 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 89.45 5.0612817 3.9076712 -14.707728 1 48 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 87.11 3.6762896 3.333414 -16.361685 1 49 +ATOM N N . SER A0 1 7 . 7 SER A0 N 94.92 6.0700626 3.1106186 -21.156105 1 50 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 94.14 5.755477 3.5067406 -22.52514 1 51 +ATOM C C . SER A0 1 7 . 7 SER A0 C 94.14 4.9852743 4.827646 -22.528564 1 52 +ATOM O O . SER A0 1 7 . 7 SER A0 O 93.36 4.521103 5.300639 -21.49025 1 53 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 94.14 4.9381847 2.4076867 -23.219017 1 54 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 93.75 3.814715 2.038518 -22.446575 1 55 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 92.19 4.841481 5.427039 -23.708145 1 56 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 91.8 4.2312536 6.7354984 -23.846535 1 57 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 92.58 2.7211385 6.7600565 -23.716572 1 58 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 92.19 2.058439 5.7209206 -23.6243 1 59 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 91.02 2.1832929 7.9760647 -23.719044 1 60 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 90.62 0.7521578 8.216348 -23.600006 1 61 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 91.8 -0.026230987 7.4887676 -24.691051 1 62 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 91.02 0.40564358 7.4188156 -25.83945 1 63 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 88.67 0.4782334 9.723122 -23.670752 1 64 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 85.16 -0.99040866 10.093224 -23.56668 1 65 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 82.03 -1.2158492 11.596968 -23.668327 1 66 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 78.91 -2.3616977 12.044125 -23.436981 1 67 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 77.73 -0.25644553 12.333115 -23.968296 1 68 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 91.8 -1.2072545 6.9375753 -24.311901 1 69 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 91.8 -2.0522292 6.202265 -25.242897 1 70 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 91.8 -3.4359713 6.828231 -25.304192 1 71 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 91.02 -4.0220814 7.1516037 -24.271198 1 72 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 91.41 -2.181667 4.729137 -24.820969 1 73 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 90.23 -0.864531 3.957277 -24.785482 1 74 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 88.67 -0.39837235 3.4972763 -26.15199 1 75 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 87.11 0.73042756 2.969964 -26.236694 1 76 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 86.72 -1.1539545 3.6537604 -27.14473 1 77 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 91.8 -3.9647198 7.003495 -26.523218 1 78 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 91.02 -5.3208165 7.4964046 -26.746275 1 79 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 91.8 -6.025433 6.4556723 -27.603958 1 80 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 91.41 -5.679755 6.2621365 -28.771292 1 81 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 89.84 -5.3301725 8.870724 -27.447027 1 82 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 88.28 -6.76535 9.361006 -27.63565 1 83 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 87.5 -4.525255 9.887505 -26.629913 1 84 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 93.36 -7.0204844 5.777398 -27.018135 1 85 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 93.75 -7.700446 4.6656 -27.689804 1 86 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 93.75 -9.212421 4.8016043 -27.629791 1 87 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 92.97 -9.756329 5.60684 -26.857502 1 88 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 92.97 -7.2979717 3.322432 -27.063034 1 89 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 92.19 -5.798197 3.105878 -26.892769 1 90 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 91.41 -5.117223 2.865415 -28.225365 1 91 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 89.84 -5.4006677 1.4789822 -28.762253 1 92 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 88.67 -4.5877748 1.1836907 -29.947647 1 93 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 94.14 -9.914038 3.993101 -28.438295 1 94 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 93.75 -11.368187 3.9763288 -28.457237 1 95 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 94.53 -11.879591 2.8008838 -27.630924 1 96 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 94.14 -11.183449 1.7860682 -27.493412 1 97 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 92.97 -11.890083 3.8450575 -29.894245 1 98 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 89.84 -11.585289 5.043658 -30.77811 1 99 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 87.11 -12.169699 4.850928 -32.16565 1 100 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 83.59 -11.871696 6.047242 -33.058098 1 101 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 79.69 -12.549295 7.2843823 -32.595238 1 102 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 95.31 -13.109795 2.9027233 -27.075974 1 103 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 94.92 -13.673641 1.7804644 -26.31938 1 104 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 94.92 -13.755466 0.5342691 -27.19597 1 105 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 94.53 -14.039522 0.6214503 -28.391296 1 106 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 94.53 -15.071648 2.2737312 -25.925575 1 107 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 93.36 -14.952277 3.7685046 -25.916042 1 108 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 94.14 -14.006487 4.0745344 -27.050184 1 109 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 95.31 -13.491783 -0.6215013 -26.59227 1 110 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 95.31 -13.529023 -1.8790152 -27.315025 1 111 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 95.31 -12.202955 -2.2880352 -27.926413 1 112 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 94.92 -12.030944 -3.4544458 -28.309572 1 113 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 94.92 -11.264669 -1.3465323 -28.012873 1 114 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 95.31 -9.953798 -1.6611547 -28.572313 1 115 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 95.31 -9.062885 -2.3116703 -27.523949 1 116 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 94.92 -9.309542 -2.192018 -26.320404 1 117 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 94.53 -9.277708 -0.39627954 -29.118467 1 118 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 92.97 -9.999796 0.20209324 -30.313759 1 119 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 92.97 -9.226849 1.3399221 -30.942604 1 120 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 90.62 -9.334648 1.5209454 -32.170925 1 121 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 90.23 -8.50593 2.0568447 -30.218313 1 122 +ATOM N N . SER A0 1 17 . 17 SER A0 N 96.09 -8.047262 -3.0083218 -27.9799 1 123 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 95.7 -7.0830855 -3.627233 -27.082521 1 124 +ATOM C C . SER A0 1 17 . 17 SER A0 C 96.09 -5.8803043 -2.7026372 -26.910553 1 125 +ATOM O O . SER A0 1 17 . 17 SER A0 O 95.7 -5.614061 -1.8404264 -27.745436 1 126 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 94.92 -6.6272373 -4.9817066 -27.630646 1 127 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 91.41 -5.9319105 -4.8206644 -28.854479 1 128 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 96.09 -5.1858163 -2.8785229 -25.782047 1 129 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 96.09 -4.0235953 -2.048875 -25.498806 1 130 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 95.7 -3.065998 -2.7845478 -24.579762 1 131 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 95.7 -3.5042543 -3.474351 -23.652811 1 132 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 95.31 -4.448074 -0.7179874 -24.848995 1 133 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 94.53 -3.3187404 0.20478198 -24.377926 1 134 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 93.36 -3.8698435 1.3716419 -23.565214 1 135 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 92.97 -2.5074606 0.7139328 -25.56792 1 136 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 96.48 -1.7776897 -2.635232 -24.83014 1 137 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 96.09 -0.75456107 -3.1811543 -23.955788 1 138 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 96.48 0.29743835 -2.1042218 -23.723194 1 139 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 95.7 0.9239352 -1.6192769 -24.67281 1 140 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 96.09 -0.10565454 -4.430641 -24.561817 1 141 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 94.14 0.8985629 -5.0976353 -23.62598 1 142 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 92.58 1.317654 -6.471134 -24.133106 1 143 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 89.45 2.1819396 -6.397397 -25.38419 1 144 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 86.72 2.6493645 -7.745223 -25.79543 1 145 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 96.88 0.47512975 -1.7061896 -22.455067 1 146 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 96.88 1.4902707 -0.7232661 -22.106562 1 147 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 96.88 2.6410172 -1.4420352 -21.42358 1 148 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 96.48 2.4825363 -2.544265 -20.889809 1 149 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 96.48 0.92355484 0.41093937 -21.216436 1 150 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 93.75 0.38134453 -0.1416807 -19.912016 1 151 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 93.36 -0.1857557 1.1581423 -21.978325 1 152 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 92.97 -0.108830184 0.93059814 -18.943468 1 153 +ATOM N N . SER A0 1 21 . 21 SER A0 N 96.48 3.8273742 -0.8147622 -21.443024 1 154 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 96.09 5.031649 -1.482676 -20.964378 1 155 +ATOM C C . SER A0 1 21 . 21 SER A0 C 96.48 5.787964 -0.71195924 -19.885103 1 156 +ATOM O O . SER A0 1 21 . 21 SER A0 O 96.48 5.5738564 0.4805423 -19.683485 1 157 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 95.7 5.976848 -1.7621462 -22.139 1 158 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 93.75 6.4773884 -0.5585822 -22.6885 1 159 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 96.88 6.657296 -1.4320066 -19.19912 1 160 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 96.48 7.5060377 -0.8959263 -18.146807 1 161 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 96.48 8.826477 -1.6589093 -18.1948 1 162 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 96.48 8.85515 -2.8694534 -17.963428 1 163 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 95.7 6.8332114 -1.0645475 -16.790257 1 164 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 94.53 7.850572 -0.66302013 -15.3640175 1 165 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 96.48 9.915279 -0.9710296 -18.532782 1 166 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 96.48 11.228943 -1.5985391 -18.647203 1 167 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 96.48 12.095231 -1.2504718 -17.442623 1 168 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 95.7 12.25369 -0.077334166 -17.101845 1 169 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 96.09 11.935139 -1.1701517 -19.937458 1 170 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 92.97 13.275121 -1.862359 -20.132915 1 171 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 90.62 13.869349 -1.5556107 -21.50232 1 172 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 87.5 15.176245 -2.3021078 -21.706034 1 173 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 84.38 15.725371 -2.0842073 -23.04698 1 174 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 95.7 12.6486 -2.28281 -16.798191 1 175 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 95.31 13.503685 -2.086092 -15.642064 1 176 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 94.92 14.972734 -2.1692362 -15.99246 1 177 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 94.53 15.367905 -2.9028141 -16.897247 1 178 +ATOM N N . SER A0 1 25 . 25 SER A0 N 94.53 15.795675 -1.4190267 -15.281013 1 179 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 94.14 17.241055 -1.4483832 -15.470596 1 180 +ATOM C C . SER A0 1 25 . 25 SER A0 C 94.14 17.936357 -1.0524389 -14.1698065 1 181 +ATOM O O . SER A0 1 25 . 25 SER A0 O 94.14 17.31707 -0.4675937 -13.274828 1 182 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 94.14 17.664373 -0.50690883 -16.61066 1 183 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 92.19 17.348373 0.83821976 -16.315308 1 184 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 92.19 19.236092 -1.391432 -14.063266 1 185 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 91.8 20.010078 -1.0154359 -12.904291 1 186 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 91.8 19.91941 -1.977112 -11.732245 1 187 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 91.41 20.436565 -1.6762762 -10.653502 1 188 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 91.41 19.26743 -3.1433454 -11.92519 1 189 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 91.8 19.153643 -4.1629205 -10.888535 1 190 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 91.41 18.846058 -5.491948 -11.555779 1 191 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 90.62 18.572424 -5.5378933 -12.767457 1 192 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 91.8 18.057571 -3.7902808 -9.8756275 1 193 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 91.8 16.653358 -3.8594344 -10.436337 1 194 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 91.41 16.147728 -2.8298323 -11.215256 1 195 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 90.62 15.853788 -4.965496 -10.194057 1 196 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 90.23 14.863889 -2.892063 -11.740319 1 197 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 90.23 14.571568 -5.0421104 -10.706725 1 198 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 91.02 14.082689 -4.0043945 -11.482791 1 199 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 91.02 12.807563 -4.078285 -11.998357 1 200 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 91.41 18.90229 -6.6016455 -10.808886 1 201 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 91.02 18.594603 -7.9127684 -11.357301 1 202 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 92.19 17.08635 -8.029515 -11.550475 1 203 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 91.8 16.344398 -8.349905 -10.614351 1 204 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 89.45 19.1167 -9.019619 -10.439968 1 205 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 85.94 19.036385 -10.399515 -11.062216 1 206 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 82.42 19.690298 -11.451105 -10.163508 1 207 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 78.52 19.611046 -12.8316965 -10.795584 1 208 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 75.0 20.243073 -13.845787 -9.941075 1 209 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 92.58 16.621931 -7.7501945 -12.772715 1 210 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 92.97 15.209253 -7.649226 -13.120867 1 211 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 92.58 14.379536 -8.866123 -12.710098 1 212 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 91.8 13.246983 -8.718191 -12.238876 1 213 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 93.75 15.083456 -7.4095993 -14.626627 1 214 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 94.14 13.666051 -7.272933 -15.121187 1 215 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 92.58 13.060644 -8.30681 -15.814392 1 216 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 92.19 12.952431 -6.101397 -14.919703 1 217 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 91.8 11.767219 -8.174143 -16.28286 1 218 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 91.8 11.660555 -5.964897 -15.386238 1 219 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 93.75 11.064369 -7.004942 -16.069687 1 220 +ATOM N N . SER A0 1 30 . 30 SER A0 N 92.19 14.934725 -10.079443 -12.868533 1 221 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 91.8 14.19861 -11.302776 -12.592995 1 222 +ATOM C C . SER A0 1 30 . 30 SER A0 C 92.19 14.072535 -11.631153 -11.106459 1 223 +ATOM O O . SER A0 1 30 . 30 SER A0 O 91.41 13.401113 -12.609268 -10.755609 1 224 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 91.02 14.845314 -12.488487 -13.324948 1 225 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 89.84 16.164394 -12.70369 -12.866825 1 226 +ATOM N N . SER A0 1 31 . 31 SER A0 N 90.23 14.682104 -10.834946 -10.231955 1 227 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 90.23 14.710163 -11.126204 -8.804472 1 228 +ATOM C C . SER A0 1 31 . 31 SER A0 C 91.02 13.781616 -10.257059 -7.9572515 1 229 +ATOM O O . SER A0 1 31 . 31 SER A0 O 91.02 13.828091 -10.327059 -6.724447 1 230 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 88.67 16.139538 -11.006806 -8.273083 1 231 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 86.72 16.986572 -11.970079 -8.881431 1 232 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 92.58 12.947302 -9.428182 -8.593636 1 233 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 92.97 12.024853 -8.565822 -7.8588486 1 234 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 93.36 10.643946 -8.574337 -8.501917 1 235 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 92.97 10.525671 -8.639208 -9.728176 1 236 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 91.8 12.531015 -7.117444 -7.8203287 1 237 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 91.02 13.790556 -6.925913 -7.0096807 1 238 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 89.45 15.048006 -7.0785866 -7.5933127 1 239 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 88.67 13.731251 -6.5851 -5.6656275 1 240 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 87.5 16.202024 -6.9110723 -6.8580847 1 241 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 86.72 14.884005 -6.41419 -4.920478 1 242 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 87.11 16.11074 -6.575247 -5.5231853 1 243 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 86.33 17.25273 -6.4052095 -4.7965307 1 244 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 94.53 9.612515 -8.477816 -7.6805177 1 245 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 94.92 8.255368 -8.318804 -8.172848 1 246 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 95.31 8.098986 -6.922384 -8.773279 1 247 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 94.92 8.74457 -5.9607487 -8.329704 1 248 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 94.14 7.2451982 -8.451351 -7.031025 1 249 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 92.97 7.1352773 -9.793017 -6.3941264 1 250 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 91.02 7.8237743 -10.237856 -5.3087764 1 251 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 91.41 6.2398043 -10.842917 -6.766604 1 252 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 89.06 7.4158554 -11.508072 -4.9800196 1 253 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 89.84 6.445139 -11.906517 -5.8641353 1 254 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 89.45 5.2906446 -10.992803 -7.785377 1 255 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 89.45 5.727507 -13.096039 -5.938162 1 256 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 89.84 4.5802026 -12.176861 -7.858989 1 257 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 89.84 4.812271 -13.21459 -6.9397573 1 258 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 95.7 7.2309856 -6.7896957 -9.793544 1 259 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 96.09 6.8691816 -5.487067 -10.351366 1 260 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 95.7 5.3453064 -5.3719826 -10.25683 1 261 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 95.7 4.6231723 -6.2750463 -10.699567 1 262 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 96.09 7.3047886 -5.3318367 -11.818149 1 263 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 93.75 8.82981 -5.441304 -11.935215 1 264 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 94.14 6.8108444 -3.9765673 -12.365726 1 265 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 92.19 9.605582 -4.326168 -11.2522745 1 266 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 96.88 4.872962 -4.280969 -9.66601 1 267 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 96.48 3.4443147 -4.076825 -9.51055 1 268 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 96.88 2.923545 -2.9772365 -10.408833 1 269 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 96.88 3.6913095 -2.1431284 -10.905088 1 270 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 96.88 1.5965654 -2.9846296 -10.628902 1 271 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 96.48 0.9178736 -1.94975 -11.390974 1 272 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 96.88 -0.10026649 -1.2686672 -10.494566 1 273 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 96.09 -0.8365767 -1.9371531 -9.753458 1 274 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 96.48 0.2176543 -2.5335836 -12.629963 1 275 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 97.27 1.1492808 -2.920512 -13.732353 1 276 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 96.09 1.6495262 -4.1686125 -13.982821 1 277 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 96.88 1.6894071 -2.060822 -14.740441 1 278 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 96.09 2.4696023 -4.1343555 -15.0820875 1 279 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 96.48 2.513618 -2.8563743 -15.566566 1 280 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 96.48 1.5554022 -0.6979534 -15.026106 1 281 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 96.88 3.203468 -2.3287241 -16.666267 1 282 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 96.48 2.2394483 -0.18114337 -16.114166 1 283 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 96.48 3.0499587 -0.99273145 -16.91867 1 284 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 97.27 -0.1430254 0.05569134 -10.584192 1 285 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 96.88 -1.0401427 0.86448514 -9.768325 1 286 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 96.88 -1.8057373 1.8230488 -10.673601 1 287 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 96.88 -1.2041333 2.504504 -11.513711 1 288 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 96.88 -0.25588235 1.6635094 -8.700844 1 289 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 95.31 -1.1849555 2.592949 -7.929759 1 290 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 94.53 0.4703119 0.7122982 -7.752669 1 291 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 97.27 -3.144362 1.8874404 -10.499187 1 292 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 96.88 -3.9803 2.7989037 -11.274942 1 293 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 97.27 -4.313262 4.036607 -10.450895 1 294 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 96.88 -4.548727 3.9477735 -9.243994 1 295 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 96.48 -5.2959614 2.1066022 -11.692905 1 296 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 94.53 -6.2192163 3.0163488 -12.510077 1 297 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 93.36 -7.505349 2.2920942 -12.879553 1 298 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 91.41 -8.448065 2.246724 -11.750059 1 299 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 90.62 -9.673002 1.7179422 -11.836053 1 300 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 89.84 -10.10222 1.2076912 -12.988766 1 301 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 90.62 -10.453793 1.7123616 -10.7555895 1 302 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 96.48 -4.3393755 5.1971064 -11.113983 1 303 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 96.48 -4.7759066 6.434103 -10.479727 1 304 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 96.09 -5.7068615 7.168046 -11.44084 1 305 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 95.31 -5.2570615 7.7719636 -12.415888 1 306 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 96.09 -3.5869284 7.3200884 -10.099455 1 307 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 95.31 -4.02037 8.545807 -9.296549 1 308 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 95.7 -2.8525367 9.277843 -8.67975 1 309 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 92.97 -1.8289802 9.496587 -9.326954 1 310 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 92.19 -2.9835138 9.646629 -7.4031897 1 311 +ATOM N N . MET A0 1 40 . 40 MET A0 N 93.75 -7.0003657 7.08331 -11.160955 1 312 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 93.75 -7.989398 7.7453213 -12.00315 1 313 +ATOM C C . MET A0 1 40 . 40 MET A0 C 93.75 -7.936283 9.249874 -11.757984 1 314 +ATOM O O . MET A0 1 40 . 40 MET A0 O 92.97 -7.469468 9.697037 -10.705076 1 315 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 92.97 -9.385714 7.1984463 -11.719145 1 316 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 91.41 -9.492884 5.702526 -11.998547 1 317 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 89.45 -11.162058 5.0425177 -11.787706 1 318 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 86.72 -11.931004 5.6236954 -13.30496 1 319 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 89.06 -8.381387 10.05946 -12.719471 1 320 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 88.28 -8.293438 11.51585 -12.578684 1 321 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 88.28 -8.907193 12.023663 -11.279322 1 322 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 86.72 -10.066633 11.751224 -10.967922 1 323 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 86.72 -9.060764 12.039976 -13.79837 1 324 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 85.16 -8.875216 10.963781 -14.830493 1 325 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 85.94 -8.933423 9.672808 -14.040782 1 326 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 87.89 -8.104124 12.748746 -10.497997 1 327 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 87.11 -8.552022 13.314201 -9.244963 1 328 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 87.89 -8.770858 12.328134 -8.116774 1 329 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 86.72 -9.318267 12.697054 -7.0777497 1 330 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 92.97 -8.350538 11.076903 -8.310925 1 331 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 92.97 -8.550872 10.036215 -7.304154 1 332 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 93.75 -7.23511 9.537071 -6.7373447 1 333 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 92.97 -6.1458755 9.949347 -7.161933 1 334 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 91.41 -9.337276 8.861225 -7.9124985 1 335 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 88.67 -10.664017 9.247358 -8.538555 1 336 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 85.94 -11.640573 9.812124 -7.4964423 1 337 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 83.2 -12.983557 10.139214 -8.13014 1 338 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 80.08 -13.935349 10.667858 -7.1419144 1 339 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 93.75 -7.3283033 8.635946 -5.752258 1 340 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 94.53 -6.1380315 8.082111 -5.1250324 1 341 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 95.31 -5.578434 6.8859777 -5.8679256 1 342 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 94.92 -5.9197993 6.6261854 -7.0281453 1 343 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 96.48 -4.704258 6.1487093 -5.185598 1 344 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 96.48 -4.0063553 5.02275 -5.783719 1 345 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 96.09 -4.762109 3.7126212 -5.580217 1 346 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 95.7 -5.291565 3.45254 -4.5003037 1 347 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 96.88 -2.600565 4.900969 -5.182497 1 348 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 96.48 -1.7197999 6.1556444 -5.2864375 1 349 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 95.7 -0.4863422 5.997888 -4.4045057 1 350 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 95.31 -1.3211187 6.407551 -6.733473 1 351 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 96.88 -4.7938347 2.8791695 -6.633854 1 352 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 96.48 -5.436404 1.570905 -6.576802 1 353 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 97.27 -4.4536047 0.523644 -7.0897875 1 354 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 97.27 -4.022977 0.578719 -8.240982 1 355 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 95.31 -6.6897335 1.5305696 -7.4612155 1 356 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 92.19 -7.771763 2.540001 -7.112376 1 357 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 90.62 -8.88982 2.5115209 -8.137188 1 358 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 89.45 -8.843037 3.3010368 -9.108629 1 359 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 88.28 -9.808816 1.6761975 -7.977108 1 360 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 96.48 -4.1194334 -0.43105945 -6.2320075 1 361 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 96.48 -3.2407522 -1.5127175 -6.6379423 1 362 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 96.88 -3.9937615 -2.4532213 -7.5679684 1 363 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 96.09 -5.101797 -2.8825655 -7.2732353 1 364 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 96.09 -2.7350361 -2.2826147 -5.406034 1 365 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 96.09 -1.8922333 -3.462455 -5.7537193 1 366 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 94.14 -0.6251974 -3.4380774 -6.249902 1 367 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 95.31 -2.239421 -4.836048 -5.639081 1 368 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 93.36 -0.17746383 -4.7169027 -6.435939 1 369 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 94.53 -1.1520579 -5.599619 -6.0768056 1 370 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 94.53 -3.3904781 -5.5125055 -5.2039332 1 371 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 93.75 -1.1583656 -6.988512 -6.093193 1 372 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 93.75 -3.400782 -6.898422 -5.2214503 1 373 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 93.75 -2.2914748 -7.6193175 -5.660713 1 374 +ATOM N N . MET A0 1 48 . 48 MET A0 N 96.88 -3.382055 -2.759607 -8.71109 1 375 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 96.88 -4.0166435 -3.6055267 -9.720497 1 376 +ATOM C C . MET A0 1 48 . 48 MET A0 C 96.09 -3.5368161 -5.0467753 -9.663755 1 377 +ATOM O O . MET A0 1 48 . 48 MET A0 O 96.09 -4.345192 -5.9751487 -9.682929 1 378 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 96.88 -3.7714522 -3.0388112 -11.127094 1 379 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 96.09 -4.2999396 -1.630334 -11.321693 1 380 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 96.48 -3.941142 -1.0021931 -12.97825 1 381 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 92.58 -5.0774136 -1.9972391 -13.946094 1 382 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 96.09 -2.2650557 -5.237584 -9.623295 1 383 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 96.09 -1.6992044 -6.5737867 -9.614096 1 384 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 96.48 -0.18619633 -6.523632 -9.577332 1 385 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 96.09 0.4168854 -5.4447737 -9.515487 1 386 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 96.09 0.40924132 -7.700814 -9.597688 1 387 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 95.7 1.8546785 -7.796558 -9.450935 1 388 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 96.09 2.361641 -9.028933 -10.199106 1 389 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 96.09 1.6183486 -9.9992895 -10.395485 1 390 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 94.92 2.2229428 -7.8543477 -7.9511347 1 391 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 92.58 3.690867 -7.5184293 -7.71527 1 392 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 91.8 1.8376688 -9.208219 -7.349929 1 393 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 90.23 4.0011997 -7.2080297 -6.242758 1 394 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 94.53 3.611289 -8.979838 -10.655563 1 395 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 95.31 4.2071257 -10.108772 -11.370116 1 396 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 94.53 5.6572742 -10.283667 -10.937873 1 397 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 94.53 6.353518 -9.302898 -10.653366 1 398 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 95.7 4.1193476 -9.920677 -12.909874 1 399 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 94.92 4.5650444 -11.1960125 -13.6362295 1 400 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 94.53 4.966634 -8.713545 -13.36884 1 401 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 94.14 4.264164 -11.197929 -15.125662 1 402 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 94.53 6.1097283 -11.551123 -10.8565235 1 403 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 94.53 7.5149555 -11.852264 -10.603865 1 404 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 94.53 8.1362915 -12.235186 -11.948046 1 405 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 94.53 7.8335686 -13.310491 -12.482489 1 406 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 93.75 7.663782 -12.993763 -9.602416 1 407 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 92.97 9.069788 -13.136057 -9.075653 1 408 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 91.8 9.911989 -14.124144 -9.555245 1 409 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 91.02 9.545934 -12.277979 -8.107489 1 410 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 89.45 11.208986 -14.24513 -9.078785 1 411 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 89.06 10.843145 -12.393109 -7.627297 1 412 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 89.84 11.673355 -13.382646 -8.115299 1 413 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 94.92 8.973024 -11.357124 -12.5484915 1 414 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 94.92 9.479073 -11.600196 -13.900513 1 415 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 93.75 10.246113 -12.907572 -14.078649 1 416 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 92.97 10.26437 -13.4568615 -15.188522 1 417 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 94.92 10.37817 -10.384313 -14.160395 1 418 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 94.53 9.824487 -9.3190775 -13.27696 1 419 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 94.92 9.410471 -10.056148 -12.026945 1 420 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 93.75 10.890254 -13.420584 -13.028796 1 421 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 93.36 11.68977 -14.631168 -13.13973 1 422 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 92.97 10.933622 -15.833248 -13.664313 1 423 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 92.58 11.45256 -16.576323 -14.49942 1 424 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 93.75 9.68956 -16.049767 -13.189518 1 425 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 92.97 8.877266 -17.171661 -13.644461 1 426 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 93.36 7.459953 -16.752327 -14.024462 1 427 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 92.97 6.605215 -17.61374 -14.237704 1 428 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 91.8 8.844424 -18.279966 -12.5782175 1 429 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 91.41 8.1995945 -17.828836 -11.271563 1 430 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 90.62 7.747944 -16.664886 -11.184732 1 431 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 88.28 8.14677 -18.647203 -10.33026 1 432 +ATOM N N . SER A0 1 56 . 56 SER A0 N 94.14 7.2200947 -15.456082 -14.126751 1 433 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 93.75 5.933221 -14.889196 -14.518351 1 434 +ATOM C C . SER A0 1 56 . 56 SER A0 C 94.14 4.77767 -15.257002 -13.584638 1 435 +ATOM O O . SER A0 1 56 . 56 SER A0 O 93.36 3.6220732 -15.304788 -14.005148 1 436 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 93.36 5.5877223 -15.269661 -15.961589 1 437 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 91.41 6.506494 -14.676151 -16.863365 1 438 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 93.75 5.0795603 -15.478676 -12.316919 1 439 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 93.75 4.052961 -15.681217 -11.298233 1 440 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 94.92 3.2882905 -14.366127 -11.164356 1 441 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 94.92 3.8971655 -13.286573 -11.092782 1 442 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 92.58 4.7171097 -16.054413 -9.964924 1 443 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 91.41 3.7327359 -16.485302 -8.896849 1 444 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 89.45 2.5136085 -16.536324 -9.165544 1 445 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 88.28 4.183736 -16.79087 -7.7746305 1 446 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 94.14 1.937239 -14.435335 -11.152516 1 447 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 93.75 1.101757 -13.235345 -11.1175585 1 448 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 93.75 0.06993896 -13.285604 -10.003496 1 449 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 92.97 -0.41978097 -14.350069 -9.644045 1 450 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 94.14 0.3381971 -13.055374 -12.436927 1 451 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 93.75 1.1333506 -13.225805 -13.6999035 1 452 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 92.97 0.20933637 -13.152315 -14.9098835 1 453 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 91.02 0.87878966 -13.680747 -16.156528 1 454 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 89.84 1.0413034 -15.1597805 -16.076008 1 455 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 94.92 -0.2824091 -12.108484 -9.514296 1 456 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 94.53 -1.3831755 -11.969009 -8.5731535 1 457 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 95.7 -2.1431065 -10.695103 -8.895021 1 458 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 95.31 -1.539181 -9.67497 -9.255259 1 459 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 93.75 -0.8752386 -11.905724 -7.1267414 1 460 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 91.02 -0.12655056 -13.161324 -6.6646767 1 461 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 88.28 -1.0214534 -14.373968 -6.5629225 1 462 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 86.33 -0.31932008 -15.521385 -6.001005 1 463 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 84.77 0.40962273 -16.370232 -6.7053366 1 464 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 82.81 0.5376518 -16.214909 -8.028552 1 465 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 83.2 1.0195804 -17.37135 -6.113632 1 466 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 94.14 -3.467409 -10.720518 -8.772572 1 467 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 94.53 -4.3009577 -9.574358 -9.089061 1 468 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 93.75 -5.1518173 -9.15107 -7.8983793 1 469 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 92.97 -5.570747 -9.994372 -7.0965695 1 470 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 94.92 -5.243154 -9.892576 -10.264204 1 471 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 95.31 -4.5620627 -10.207744 -11.569311 1 472 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 94.53 -4.2347155 -11.516047 -11.90748 1 473 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 93.75 -4.2581253 -9.198511 -12.477215 1 474 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 93.75 -3.610545 -11.817362 -13.110332 1 475 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 93.75 -3.6354342 -9.486259 -13.687697 1 476 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 94.92 -3.3166473 -10.7998295 -13.991257 1 477 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 95.31 -2.706974 -11.097185 -15.182999 1 478 +ATOM N N . SER A0 1 61 . 61 SER A0 N 94.53 -5.417418 -7.8602085 -7.827438 1 479 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 94.53 -6.392872 -7.3609376 -6.866684 1 480 +ATOM C C . SER A0 1 61 . 61 SER A0 C 94.14 -7.757341 -7.9185486 -7.244999 1 481 +ATOM O O . SER A0 1 61 . 61 SER A0 O 93.75 -8.064128 -8.031462 -8.436321 1 482 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 94.53 -6.425697 -5.8293986 -6.9051685 1 483 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 93.36 -7.6207104 -5.3290205 -6.326297 1 484 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 93.75 -8.601149 -8.282553 -6.2632413 1 485 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 93.36 -9.943333 -8.773201 -6.5958643 1 486 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 93.36 -10.720373 -7.785968 -7.460701 1 487 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 92.58 -11.53437 -8.205872 -8.292864 1 488 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 92.19 -10.593679 -8.952675 -5.217843 1 489 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 91.41 -9.449226 -9.223781 -4.3045797 1 490 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 92.58 -8.334584 -8.350102 -4.816409 1 491 +ATOM N N . SER A0 1 63 . 63 SER A0 N 94.14 -10.484854 -6.4842167 -7.2932243 1 492 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 93.36 -11.179892 -5.4604793 -8.067267 1 493 +ATOM C C . SER A0 1 63 . 63 SER A0 C 93.75 -10.749754 -5.4250164 -9.534811 1 494 +ATOM O O . SER A0 1 63 . 63 SER A0 O 92.58 -11.454798 -4.8566985 -10.3651285 1 495 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 92.19 -10.968018 -4.0808816 -7.445004 1 496 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 88.67 -11.509895 -4.0192 -6.1360545 1 497 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 94.14 -9.588312 -6.0013804 -9.841343 1 498 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 94.53 -9.076758 -6.0003805 -11.208687 1 499 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 93.75 -8.949894 -7.3928385 -11.803332 1 500 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 92.19 -8.584898 -7.516947 -12.973373 1 501 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 94.53 -7.719283 -5.2761154 -11.26152 1 502 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 94.53 -7.8217354 -3.7934077 -11.001061 1 503 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 93.75 -7.6786127 -3.2756422 -9.721329 1 504 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 92.97 -8.080303 -2.9114013 -12.044647 1 505 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 92.19 -7.8001547 -1.9084716 -9.478471 1 506 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 92.19 -8.197717 -1.5463251 -11.805578 1 507 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 92.97 -8.052638 -1.0441989 -10.523907 1 508 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 94.14 -9.272992 -8.433552 -11.027788 1 509 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 93.36 -9.201632 -9.812105 -11.503452 1 510 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 93.75 -10.088688 -9.979127 -12.741228 1 511 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 92.58 -11.280578 -9.657198 -12.707532 1 512 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 92.19 -9.6542015 -10.765316 -10.404251 1 513 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 89.45 -9.551536 -12.236683 -10.771804 1 514 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 87.11 -8.128254 -12.757945 -10.691752 1 515 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 84.38 -7.4581285 -12.572851 -9.685699 1 516 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 82.81 -7.6814737 -13.405463 -11.756431 1 517 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 93.36 -9.502539 -10.473455 -13.82066 1 518 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 92.97 -10.242506 -10.690317 -15.052676 1 519 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 93.36 -10.432882 -9.456571 -15.90578 1 520 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 92.19 -10.992395 -9.555034 -17.004875 1 521 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 93.75 -10.006815 -8.292186 -15.413208 1 522 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 94.14 -10.177629 -7.040142 -16.146492 1 523 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 94.53 -8.9462185 -6.6780643 -16.966713 1 524 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 93.75 -9.069475 -6.0172205 -18.00013 1 525 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 92.58 -10.507107 -5.8934155 -15.179964 1 526 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 90.23 -11.685411 -6.1767297 -14.256388 1 527 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 88.28 -12.951527 -6.488324 -15.025994 1 528 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 85.16 -13.327936 -5.7827272 -15.953099 1 529 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 83.98 -13.627619 -7.5886726 -14.6429205 1 530 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 95.7 -7.7797055 -7.082785 -16.494526 1 531 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 95.7 -6.51718 -6.8185277 -17.177433 1 532 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 96.09 -5.6468897 -8.062235 -17.097933 1 533 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 95.31 -5.911669 -8.969386 -16.312664 1 534 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 95.31 -5.7543197 -5.623714 -16.545616 1 535 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 93.75 -6.5083103 -4.309351 -16.774439 1 536 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 92.97 -5.5190926 -5.8745522 -15.059409 1 537 +ATOM N N . THR A0 1 69 . 69 THR A0 N 96.48 -4.5968037 -8.1008625 -17.92667 1 538 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 96.09 -3.6438751 -9.19923 -17.9013 1 539 +ATOM C C . THR A0 1 69 . 69 THR A0 C 96.48 -2.2410293 -8.621977 -17.735842 1 540 +ATOM O O . THR A0 1 69 . 69 THR A0 O 96.48 -1.8567194 -7.7044625 -18.461256 1 541 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 95.31 -3.707437 -10.033982 -19.192272 1 542 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 92.97 -5.0094123 -10.600651 -19.338428 1 543 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 91.8 -2.66765 -11.149955 -19.171967 1 544 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 96.09 -1.5089402 -9.139513 -16.751297 1 545 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 96.09 -0.13145925 -8.722595 -16.519505 1 546 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 95.7 0.7893221 -9.818657 -17.046219 1 547 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 95.7 0.52787614 -11.004679 -16.849285 1 548 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 96.48 0.13008648 -8.477123 -15.014215 1 549 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 95.31 -0.7896041 -7.3638215 -14.500845 1 550 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 95.7 1.6017584 -8.120225 -14.778412 1 551 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 93.75 -0.76125234 -7.1864967 -12.985327 1 552 +ATOM N N . SER A0 1 71 . 71 SER A0 N 96.48 1.8545464 -9.42395 -17.738016 1 553 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 96.09 2.8110511 -10.386425 -18.286324 1 554 +ATOM C C . SER A0 1 71 . 71 SER A0 C 96.09 4.219847 -9.802548 -18.221088 1 555 +ATOM O O . SER A0 1 71 . 71 SER A0 O 96.09 4.39839 -8.63208 -17.882824 1 556 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 95.31 2.4469023 -10.760125 -19.726322 1 557 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 94.14 2.453397 -9.625387 -20.568182 1 558 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 95.7 5.2058945 -10.638296 -18.529676 1 559 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 95.7 6.5883026 -10.187805 -18.492105 1 560 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 95.7 7.426497 -10.857267 -19.570831 1 561 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 95.31 7.122331 -11.9612665 -20.01212 1 562 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 95.31 7.210435 -10.4707365 -17.119062 1 563 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 95.7 8.454229 -10.16584 -20.006508 1 564 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 95.31 9.443892 -10.702695 -20.951002 1 565 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 95.31 10.805655 -10.390863 -20.331367 1 566 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 94.92 11.32959 -9.285988 -20.492119 1 567 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 94.92 9.305885 -10.041405 -22.33228 1 568 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 93.75 10.251081 -10.650513 -23.363293 1 569 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 92.19 11.156454 -11.4186535 -22.97334 1 570 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 90.62 10.084245 -10.355317 -24.569372 1 571 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 95.31 11.345769 -11.38092 -19.61629 1 572 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 94.92 12.593592 -11.132725 -18.906916 1 573 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 95.31 13.796972 -10.968939 -19.840115 1 574 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 94.53 14.824627 -10.436399 -19.424114 1 575 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 92.97 12.871052 -12.24597 -17.885612 1 576 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 91.02 12.9285345 -13.644581 -18.46717 1 577 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 90.23 13.106493 -14.666412 -17.335402 1 578 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 87.11 13.062923 -16.08057 -17.877344 1 579 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 85.16 13.167054 -17.079914 -16.779133 1 580 +ATOM N N . SER A0 1 75 . 75 SER A0 N 94.92 13.656431 -11.391806 -21.132336 1 581 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 94.53 14.7576 -11.239983 -22.078949 1 582 +ATOM C C . SER A0 1 75 . 75 SER A0 C 94.53 15.028992 -9.773551 -22.403753 1 583 +ATOM O O . SER A0 1 75 . 75 SER A0 O 94.14 16.14896 -9.418589 -22.783024 1 584 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 93.75 14.471791 -12.009777 -23.370323 1 585 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 91.41 13.434705 -11.411934 -24.1251 1 586 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 95.31 13.9934635 -8.91099 -22.256552 1 587 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 95.31 14.165581 -7.483 -22.488241 1 588 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 95.31 13.811386 -6.669973 -21.244642 1 589 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 94.92 13.571167 -5.4586563 -21.327227 1 590 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 94.92 13.331456 -6.989154 -23.696651 1 591 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 93.75 11.859797 -7.331505 -23.520313 1 592 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 92.97 13.881658 -7.5804524 -24.993355 1 593 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 91.41 10.943991 -6.6810517 -24.553936 1 594 +ATOM N N . SER A0 1 77 . 77 SER A0 N 95.31 13.790915 -7.333561 -20.091824 1 595 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 95.7 13.548706 -6.684573 -18.806252 1 596 +ATOM C C . SER A0 1 77 . 77 SER A0 C 95.7 12.305884 -5.800996 -18.827028 1 597 +ATOM O O . SER A0 1 77 . 77 SER A0 O 95.7 12.31657 -4.669505 -18.334736 1 598 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 94.92 14.769157 -5.858385 -18.386066 1 599 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 92.97 15.934992 -6.661069 -18.313057 1 600 +ATOM N N . THR A0 1 78 . 78 THR A0 N 96.09 11.202348 -6.342841 -19.37696 1 601 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 96.09 9.983429 -5.561699 -19.533165 1 602 +ATOM C C . THR A0 1 78 . 78 THR A0 C 96.09 8.758842 -6.3054867 -19.00334 1 603 +ATOM O O . THR A0 1 78 . 78 THR A0 O 95.7 8.600498 -7.505248 -19.241323 1 604 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 96.09 9.761555 -5.195702 -21.012676 1 605 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 93.75 10.888596 -4.4478908 -21.491709 1 606 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 94.53 8.498259 -4.3556414 -21.194706 1 607 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 96.88 7.889969 -5.571719 -18.279953 1 608 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 96.88 6.605866 -6.1093225 -17.857271 1 609 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 97.27 5.5171204 -5.333707 -18.5881 1 610 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 96.88 5.7231135 -4.193312 -19.018156 1 611 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 96.09 6.396023 -6.0148168 -16.32473 1 612 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 93.36 7.455525 -6.828884 -15.592241 1 613 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 92.19 6.393378 -4.571653 -15.858335 1 614 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 96.09 4.329935 -5.9672947 -18.738659 1 615 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 95.7 3.2305284 -5.3852625 -19.49413 1 616 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 96.09 1.9178658 -5.4089804 -18.71859 1 617 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 95.7 1.6973141 -6.284181 -17.87652 1 618 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 95.7 3.022815 -6.1351323 -20.815058 1 619 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 96.09 4.25226 -6.2185783 -21.684292 1 620 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 94.14 5.0794377 -7.333411 -21.653187 1 621 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 93.75 4.5800095 -5.178854 -22.547527 1 622 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 93.36 6.209357 -7.411352 -22.45307 1 623 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 93.36 5.709294 -5.2486777 -23.352455 1 624 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 94.53 6.5195246 -6.371216 -23.298664 1 625 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 94.14 7.635242 -6.4469013 -24.088789 1 626 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 96.88 1.0665088 -4.4511213 -19.048897 1 627 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 96.48 -0.3033909 -4.3958015 -18.56066 1 628 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 96.48 -1.1805543 -4.345513 -19.8036 1 629 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 96.09 -0.9994449 -3.461927 -20.6521 1 630 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 96.48 -0.5418631 -3.1569638 -17.694399 1 631 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 95.7 -1.9544525 -2.9905112 -17.111942 1 632 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 94.92 -2.0714965 -1.6237423 -16.427711 1 633 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 94.14 -2.2742743 -4.1102552 -16.133034 1 634 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 96.88 -2.1150982 -5.2984953 -19.93325 1 635 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 96.88 -2.8916569 -5.4305387 -21.16248 1 636 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 96.88 -4.3982654 -5.47095 -20.92083 1 637 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 96.48 -4.863014 -6.074191 -19.945007 1 638 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 95.7 -2.453434 -6.694212 -21.92495 1 639 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 92.58 -3.1786482 -6.912949 -23.239494 1 640 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 90.23 -2.681395 -8.143419 -23.975643 1 641 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 87.5 -1.5287619 -8.545907 -23.836412 1 642 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 85.94 -3.540111 -8.752523 -24.774446 1 643 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 96.48 -5.1441383 -4.8367825 -21.818357 1 644 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 95.7 -6.600892 -4.8916173 -21.860073 1 645 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 96.09 -6.9962244 -5.517409 -23.196533 1 646 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 95.31 -6.4280024 -5.179553 -24.244251 1 647 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 95.31 -7.229057 -3.4932866 -21.806889 1 648 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 94.92 -7.0351896 -2.7171774 -20.54665 1 649 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 92.58 -7.921916 -2.5881143 -19.526117 1 650 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 94.14 -5.904457 -1.917306 -20.186062 1 651 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 91.41 -7.40288 -1.7619911 -18.564302 1 652 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 93.36 -6.1704473 -1.3465953 -18.930357 1 653 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 92.19 -4.6771455 -1.6504873 -20.811466 1 654 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 92.97 -5.2612877 -0.5010221 -18.294724 1 655 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 92.58 -3.7772286 -0.8159759 -20.174698 1 656 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 92.58 -4.075589 -0.26448938 -18.923746 1 657 +ATOM N N . SER A0 1 84 . 84 SER A0 N 95.31 -7.9777107 -6.398878 -23.173813 1 658 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 94.92 -8.486376 -6.969805 -24.42091 1 659 +ATOM C C . SER A0 1 84 . 84 SER A0 C 95.31 -9.60836 -6.106945 -24.99636 1 660 +ATOM O O . SER A0 1 84 . 84 SER A0 O 94.14 -9.856248 -6.130845 -26.200886 1 661 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 93.75 -9.001118 -8.393455 -24.191868 1 662 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 91.02 -10.0573225 -8.402435 -23.259062 1 663 +ATOM N N . SER A0 1 85 . 85 SER A0 N 95.31 -10.281666 -5.363783 -24.123123 1 664 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 95.31 -11.370403 -4.4863 -24.540487 1 665 +ATOM C C . SER A0 1 85 . 85 SER A0 C 95.7 -11.461767 -3.3063664 -23.575613 1 666 +ATOM O O . SER A0 1 85 . 85 SER A0 O 94.92 -11.981692 -3.4413872 -22.465036 1 667 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 94.92 -12.6986685 -5.24764 -24.581419 1 668 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 92.19 -13.766998 -4.4172816 -25.031303 1 669 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 95.31 -10.962997 -2.1524143 -24.015692 1 670 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 95.31 -10.927651 -0.96718025 -23.174122 1 671 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 94.92 -12.313641 -0.36059758 -22.973293 1 672 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 94.14 -13.164173 -0.408405 -23.868109 1 673 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 95.7 -9.997316 0.09097798 -23.780296 1 674 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 94.92 -8.499741 -0.18913591 -23.68917 1 675 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 93.75 -7.7531223 0.66683066 -24.71239 1 676 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 92.97 -8.002304 0.110041425 -22.280716 1 677 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 94.53 -12.522035 0.22126047 -21.7872 1 678 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 94.53 -13.731783 0.95955217 -21.457466 1 679 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 94.92 -13.337444 2.3984244 -21.172878 1 680 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 94.14 -12.190096 2.6809335 -20.805672 1 681 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 93.75 -14.418912 0.3547348 -20.227104 1 682 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 91.41 -14.845459 -1.0859199 -20.405186 1 683 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 88.28 -15.516322 -1.6079036 -19.130135 1 684 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 84.77 -14.544958 -1.729908 -17.97929 1 685 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 80.47 -13.5623665 -2.8375463 -18.17585 1 686 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 92.58 -14.309776 3.3066077 -21.323366 1 687 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 92.19 -14.041629 4.720082 -21.049948 1 688 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 92.97 -13.565176 4.9186916 -19.616814 1 689 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 92.58 -12.745234 5.7996035 -19.34518 1 690 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 91.02 -15.292746 5.558621 -21.321602 1 691 +ATOM N N . SER A0 1 89 . 89 SER A0 N 93.36 -14.058872 4.075139 -18.693203 1 692 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 92.97 -13.686207 4.1768684 -17.290709 1 693 +ATOM C C . SER A0 1 89 . 89 SER A0 C 93.36 -12.25053 3.7240255 -17.020555 1 694 +ATOM O O . SER A0 1 89 . 89 SER A0 O 92.97 -11.776775 3.8384342 -15.884112 1 695 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 91.8 -14.665146 3.371068 -16.419476 1 696 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 89.45 -14.686655 2.0117464 -16.78756 1 697 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 94.53 -11.55622 3.1968246 -18.035366 1 698 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 94.92 -10.153385 2.8267713 -17.884262 1 699 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 94.92 -9.23032 4.0366955 -18.027903 1 700 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 94.14 -8.01384 3.9024115 -17.871836 1 701 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 95.31 -9.754252 1.7625556 -18.923561 1 702 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 95.7 -10.377115 0.41045412 -18.63136 1 703 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 94.14 -10.816673 -0.26180658 -19.59304 1 704 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 93.75 -10.415991 0.0151877785 -17.438232 1 705 +ATOM N N . THR A0 1 91 . 91 THR A0 N 93.36 -9.785181 5.203933 -18.33122 1 706 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 93.36 -8.995064 6.4230556 -18.436743 1 707 +ATOM C C . THR A0 1 91 . 91 THR A0 C 93.75 -8.340881 6.718025 -17.089045 1 708 +ATOM O O . THR A0 1 91 . 91 THR A0 O 93.75 -9.027821 6.9100304 -16.089933 1 709 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 92.19 -9.871088 7.619529 -18.869986 1 710 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 91.41 -10.384282 7.3802004 -20.184425 1 711 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 90.62 -9.080339 8.918028 -18.85513 1 712 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 94.14 -7.0145235 6.7170415 -17.070114 1 713 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 94.14 -6.283087 6.909483 -15.825294 1 714 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 94.14 -4.7879186 6.942391 -16.095116 1 715 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 93.75 -4.336052 6.645166 -17.202963 1 716 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 94.53 -6.600914 5.781867 -14.8368225 1 717 +ATOM N N . MET A0 1 93 . 93 MET A0 N 96.09 -4.029549 7.320034 -15.054535 1 718 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 95.7 -2.5796423 7.204737 -15.0881405 1 719 +ATOM C C . MET A0 1 93 . 93 MET A0 C 96.09 -2.2356315 5.846231 -14.501257 1 720 +ATOM O O . MET A0 1 93 . 93 MET A0 O 96.09 -2.7962115 5.4389005 -13.477987 1 721 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 94.92 -1.9260991 8.3161335 -14.251245 1 722 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 93.36 -0.40509188 8.277775 -14.26448 1 723 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 91.8 0.28866756 8.776167 -15.853274 1 724 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 89.06 0.05854006 10.559106 -15.75886 1 725 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 96.88 -1.3439312 5.113154 -15.163188 1 726 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 96.88 -0.9235327 3.797677 -14.703157 1 727 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 96.48 0.56558084 3.817697 -14.378916 1 728 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 96.48 1.3812811 4.239282 -15.202974 1 729 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 96.88 -1.2363198 2.722248 -15.757183 1 730 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 96.48 -2.7203383 2.540895 -15.971455 1 731 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 94.53 -3.4166384 3.3334284 -16.882557 1 732 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 93.36 -3.438148 1.6084107 -15.22844 1 733 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 93.75 -4.7883415 3.2005706 -17.046644 1 734 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 93.75 -4.809205 1.4636497 -15.386654 1 735 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 95.7 -5.4762206 2.2626154 -16.298237 1 736 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 96.09 -6.8368196 2.133473 -16.45782 1 737 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 97.27 0.904601 3.3740444 -13.168579 1 738 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 96.88 2.289454 3.3367496 -12.715885 1 739 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 97.27 2.7616956 1.9027159 -12.51941 1 740 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 96.48 2.008481 1.0598217 -12.031067 1 741 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 96.88 2.4469633 4.054405 -11.367279 1 742 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 96.48 2.1778803 5.537623 -11.382929 1 743 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 93.75 0.97369224 6.0495634 -10.9147415 1 744 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 93.36 3.1446981 6.4336524 -11.819939 1 745 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 93.75 0.7348521 7.4133453 -10.901458 1 746 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 93.36 2.9100368 7.8008914 -11.807005 1 747 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 95.31 1.7084758 8.279263 -11.346317 1 748 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 94.92 1.4755405 9.623268 -11.328704 1 749 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 97.66 4.009347 1.6204851 -12.895683 1 750 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 97.27 4.6497145 0.3755986 -12.501133 1 751 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 97.66 5.617038 0.72805583 -11.3864 1 752 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 97.27 6.0795097 1.8695853 -11.282171 1 753 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 95.31 5.3792906 -0.30129778 -13.67108 1 754 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 95.7 6.7443295 0.6409122 -14.391257 1 755 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 96.48 5.8881655 -0.23980317 -10.504045 1 756 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 96.88 6.7716393 0.026302654 -9.374 1 757 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 96.88 7.4319763 -1.2675256 -8.909117 1 758 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 96.48 6.8096123 -2.33194 -8.931082 1 759 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 96.48 5.997491 0.6669981 -8.225293 1 760 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 95.7 8.713344 -1.1787375 -8.491535 1 761 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 95.7 9.440684 -2.3329515 -7.9999647 1 762 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 95.31 9.001322 -2.6499712 -6.57988 1 763 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 95.31 8.984497 -1.7624145 -5.7133856 1 764 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 94.53 10.957589 -2.093686 -8.029479 1 765 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 93.75 11.76124 -3.35634 -7.7272167 1 766 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 92.58 13.252294 -3.0866895 -7.7551837 1 767 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 91.41 13.714072 -2.4513206 -6.523936 1 768 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 90.62 14.983761 -2.365933 -6.1682158 1 769 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 89.06 15.927771 -2.8837483 -6.9345665 1 770 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 89.06 15.305483 -1.751169 -5.0426383 1 771 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 94.92 8.638498 -3.910811 -6.361641 1 772 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 94.92 8.1291275 -4.3501167 -5.066144 1 773 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 94.53 9.221171 -5.055464 -4.2579584 1 774 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 94.14 9.748883 -6.0885677 -4.6851225 1 775 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 94.14 6.9368334 -5.289537 -5.264155 1 776 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 93.75 6.200571 -5.6194205 -4.003806 1 777 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 91.02 6.011373 -6.915044 -3.576877 1 778 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 90.62 5.581156 -4.830493 -3.1056023 1 779 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 89.84 5.3055468 -6.9006696 -2.4475532 1 780 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 90.23 5.039174 -5.638292 -2.1396756 1 781 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 93.36 9.552475 -4.489628 -3.1119125 1 782 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 92.58 10.519255 -5.0810127 -2.1958857 1 783 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 92.19 9.757391 -5.970248 -1.2114556 1 784 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 91.02 8.817676 -5.510667 -0.5633911 1 785 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 92.19 11.300787 -4.0021477 -1.4147229 1 786 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 91.41 12.1193695 -3.1355007 -2.38086 1 787 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 90.23 12.189796 -4.6447244 -0.3554119 1 788 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 89.06 13.24062 -3.8746424 -3.0815825 1 789 +ATOM N N . THR A0 1 101 . 101 THR A0 N 91.02 10.156916 -7.2432165 -1.1327708 1 790 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 90.62 9.533861 -8.165115 -0.1880363 1 791 +ATOM C C . THR A0 1 101 . 101 THR A0 C 90.62 10.547163 -8.478851 0.91993207 1 792 +ATOM O O . THR A0 1 101 . 101 THR A0 O 89.45 11.490622 -9.242764 0.71421236 1 793 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 89.45 9.102552 -9.474963 -0.8657 1 794 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 87.5 10.1917 -10.020458 -1.6101159 1 795 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 87.11 7.9268603 -9.2374525 -1.8019252 1 796 +ATOM N N . THR A0 1 102 . 102 THR A0 N 89.84 10.34536 -7.8666735 2.0833983 1 797 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 89.45 11.238668 -8.125196 3.2086563 1 798 +ATOM C C . THR A0 1 102 . 102 THR A0 C 89.45 10.994389 -9.520578 3.778801 1 799 +ATOM O O . THR A0 1 102 . 102 THR A0 O 88.28 11.9130535 -10.152229 4.303245 1 800 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 88.28 11.077486 -7.0643806 4.31174 1 801 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 86.72 9.709246 -7.0047507 4.7266426 1 802 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 85.55 11.506292 -5.694927 3.8148203 1 803 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 87.89 9.754526 -10.001223 3.6700478 1 804 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 87.89 9.378181 -11.381216 3.9396448 1 805 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 87.5 8.011127 -11.618448 3.3279989 1 806 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 86.72 7.4331026 -10.711908 2.7253346 1 807 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 87.11 9.411104 -11.728636 5.4315267 1 808 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 86.72 8.520401 -10.901573 6.3146915 1 809 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 83.98 7.152177 -11.080636 6.358385 1 810 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 83.2 8.804915 -9.924765 7.1959305 1 811 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 82.81 6.6306057 -10.228624 7.235971 1 812 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 82.81 7.623183 -9.51382 7.743722 1 813 +ATOM N N . THR A0 1 104 . 104 THR A0 N 87.11 7.459633 -12.8433 3.4563317 1 814 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 87.11 6.2324843 -13.234844 2.788401 1 815 +ATOM C C . THR A0 1 104 . 104 THR A0 C 87.5 5.072377 -12.268023 3.0099306 1 816 +ATOM O O . THR A0 1 104 . 104 THR A0 O 86.33 4.291215 -12.013144 2.086136 1 817 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 86.33 5.816371 -14.649368 3.233138 1 818 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 85.16 6.9123917 -15.552174 3.002085 1 819 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 83.98 4.599888 -15.140724 2.4439304 1 820 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 88.28 4.9339776 -11.7293 4.210842 1 821 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 87.89 3.802005 -10.867837 4.548028 1 822 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 89.06 4.1914306 -9.413094 4.788789 1 823 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 87.89 3.559668 -8.715791 5.580593 1 824 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 86.33 3.0795405 -11.427755 5.777069 1 825 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 84.38 2.478526 -12.795413 5.545337 1 826 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 82.03 3.1760283 -13.957918 5.854372 1 827 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 80.86 1.2109292 -12.923122 4.984151 1 828 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 79.3 2.6240368 -15.208197 5.6107893 1 829 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 78.12 0.6535419 -14.170242 4.743224 1 830 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 78.52 1.3597288 -15.312254 5.057767 1 831 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 78.12 0.8209573 -16.543427 4.8177476 1 832 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 89.84 5.2162495 -8.944946 4.0729074 1 833 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 89.84 5.723675 -7.602476 4.3184004 1 834 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 90.23 6.398469 -7.0843754 3.0556102 1 835 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 89.45 7.282048 -7.753248 2.5118794 1 836 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 88.67 6.7220716 -7.6750803 5.4756413 1 837 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 86.33 7.129221 -6.410114 6.1166124 1 838 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 84.38 7.838096 -6.787613 7.4025054 1 839 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 82.42 8.675751 -5.7226973 7.9190474 1 840 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 80.86 9.348848 -5.8104706 9.052385 1 841 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 78.52 9.268812 -6.9160275 9.783514 1 842 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 78.52 10.0855 -4.809984 9.448622 1 843 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 92.97 5.978858 -5.9226537 2.5844808 1 844 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 92.97 6.5709767 -5.3786464 1.3733066 1 845 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 93.36 6.1240997 -3.957657 1.0799117 1 846 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 92.58 5.1880455 -3.4398518 1.6880348 1 847 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 94.53 6.8000655 -3.3288488 0.10075985 1 848 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 94.92 6.5280647 -1.9518288 -0.29039496 1 849 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 95.31 7.130909 -1.6924497 -1.6585418 1 850 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 94.53 7.901735 -2.5075512 -2.1716747 1 851 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 94.53 7.103762 -0.971367 0.74553704 1 852 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 93.75 8.556669 -1.2261994 1.0578992 1 853 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 92.58 8.9132595 -2.0788403 2.0927806 1 854 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 92.19 9.559696 -0.6331622 0.30742782 1 855 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 91.02 10.256449 -2.3334634 2.3790984 1 856 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 91.02 10.89452 -0.8818043 0.588766 1 857 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 91.41 11.241077 -1.728567 1.6221863 1 858 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 95.7 6.7862 -0.54134077 -2.2687085 1 859 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 95.7 7.3135104 -0.15557516 -3.570256 1 860 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 95.7 8.379406 0.9250175 -3.3812835 1 861 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 95.31 8.069796 2.0213552 -2.909549 1 862 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 96.09 6.191663 0.39264816 -4.4655504 1 863 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 95.7 5.118965 -0.61443543 -4.790486 1 864 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 94.53 3.8227072 -0.44791415 -4.311266 1 865 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 93.75 5.398408 -1.7098684 -5.5879836 1 866 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 92.97 2.8270764 -1.3687335 -4.6228075 1 867 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 93.36 4.411168 -2.6350632 -5.905221 1 868 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 94.92 3.1242573 -2.461646 -5.4228497 1 869 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 95.31 9.635425 0.62582266 -3.7347593 1 870 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 94.92 10.692048 1.6115718 -3.508362 1 871 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 95.7 11.05158 2.4483266 -4.733927 1 872 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 95.31 11.553797 3.5630624 -4.581117 1 873 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 93.75 11.953651 0.9680266 -2.913539 1 874 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 92.58 12.662157 -0.02342838 -3.826924 1 875 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 90.62 12.075676 -0.44158015 -4.8481135 1 876 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 89.45 13.82692 -0.37182182 -3.5191443 1 877 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 95.7 10.804835 1.9571884 -5.943013 1 878 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 95.7 11.061378 2.7270627 -7.1585913 1 879 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 96.09 9.837754 2.6664782 -8.065407 1 880 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 96.09 9.261414 1.5928426 -8.248008 1 881 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 94.53 12.299521 2.2111547 -7.895114 1 882 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 92.58 13.598305 2.5846868 -7.2335305 1 883 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 90.62 14.209797 1.7139362 -6.3364506 1 884 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 89.45 14.194112 3.8083754 -7.488673 1 885 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 88.28 15.394576 2.0618763 -5.708853 1 886 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 87.5 15.384169 4.1600637 -6.859554 1 887 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 87.89 15.982911 3.2814436 -5.9711657 1 888 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 96.88 9.458332 3.80803 -8.623407 1 889 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 96.88 8.278317 3.9225154 -9.463475 1 890 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 96.48 8.638223 4.414952 -10.860878 1 891 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 96.09 9.574108 5.2065945 -11.029712 1 892 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 96.48 7.2705946 4.9095216 -8.854837 1 893 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 97.27 6.676756 4.4851513 -7.551106 1 894 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 95.7 7.326465 4.3254557 -6.360276 1 895 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 96.88 5.299558 4.198279 -7.304891 1 896 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 95.31 6.439652 3.9471502 -5.3869762 1 897 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 96.48 5.1871157 3.858229 -5.938004 1 898 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 96.48 4.1425114 4.1849346 -8.104391 1 899 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 96.48 3.9657612 3.5221794 -5.3475313 1 900 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 96.09 2.9347582 3.8456645 -7.5276423 1 901 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 96.09 2.8568335 3.5137947 -6.163721 1 902 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 96.09 7.8618603 3.9515576 -11.853611 1 903 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 96.48 7.993729 4.4848857 -13.203911 1 904 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 96.48 7.366049 5.866049 -13.252483 1 905 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 96.09 6.698811 6.2981853 -12.318369 1 906 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 95.7 7.5598845 6.5658216 -14.37444 1 907 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 95.31 7.049379 7.9273243 -14.501213 1 908 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 95.31 5.5520635 7.975832 -14.768128 1 909 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 95.31 4.943219 9.04792 -14.673868 1 910 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 94.92 7.801517 8.678729 -15.6245365 1 911 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 94.14 7.2950253 8.394179 -17.056026 1 912 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 93.75 7.837289 7.119111 -17.671074 1 913 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 91.8 8.427376 6.255244 -16.969383 1 914 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 90.62 7.645149 6.9733243 -18.984226 1 915 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 95.7 4.9457555 6.8423777 -15.077371 1 916 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 94.92 3.5212386 6.771042 -15.340589 1 917 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 95.31 3.1878266 6.782851 -16.824533 1 918 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 95.31 3.9240112 7.353512 -17.632801 1 919 +ATOM N N . THR A0 1 116 . 116 THR A0 N 94.53 2.0800796 6.1265974 -17.182884 1 920 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 95.31 1.578321 6.1174655 -18.550833 1 921 +ATOM C C . THR A0 1 116 . 116 THR A0 C 94.92 0.11260658 6.5508995 -18.507526 1 922 +ATOM O O . THR A0 1 116 . 116 THR A0 O 94.92 -0.709325 5.9105864 -17.857096 1 923 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 95.31 1.6725514 4.7190714 -19.189976 1 924 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 94.53 3.042997 4.320616 -19.291393 1 925 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 93.75 1.0445187 4.7174196 -20.584871 1 926 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 93.36 -0.20773941 7.6538615 -19.193369 1 927 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 92.97 -1.5745847 8.140866 -19.246527 1 928 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 93.75 -2.3299413 7.412843 -20.351894 1 929 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 93.36 -1.9065233 7.418624 -21.5107 1 930 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 91.8 -1.613884 9.651496 -19.497868 1 931 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 89.06 -3.00985 10.273127 -19.586287 1 932 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 87.5 -2.913961 11.73476 -20.01059 1 933 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 86.33 -3.7648335 10.1255455 -18.270805 1 934 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 93.36 -3.4417372 6.7701387 -19.980083 1 935 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 93.75 -4.2885113 6.0723286 -20.940872 1 936 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 93.36 -5.618685 6.8080854 -21.009218 1 937 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 92.58 -6.3011127 6.9640017 -19.99204 1 938 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 94.53 -4.5159597 4.595976 -20.539558 1 939 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 94.14 -5.518634 3.9364336 -21.484756 1 940 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 93.36 -3.1842077 3.8394294 -20.541824 1 941 +ATOM N N . THR A0 1 119 . 119 THR A0 N 92.58 -5.97976 7.278243 -22.205265 1 942 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 92.58 -7.2401586 7.972456 -22.422668 1 943 +ATOM C C . THR A0 1 119 . 119 THR A0 C 92.97 -8.103731 7.1153545 -23.34516 1 944 +ATOM O O . THR A0 1 119 . 119 THR A0 O 92.58 -7.6702833 6.748005 -24.440144 1 945 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 91.41 -7.0210104 9.3624 -23.050068 1 946 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 89.84 -6.194909 10.151487 -22.18255 1 947 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 89.45 -8.351423 10.080651 -23.265133 1 948 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 93.75 -9.302029 6.769161 -22.882414 1 949 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 93.75 -10.210824 5.93924 -23.669525 1 950 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 92.97 -11.471972 6.740601 -23.966282 1 951 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 92.19 -12.193371 7.1401296 -23.054504 1 952 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 94.14 -10.576315 4.6300673 -22.934937 1 953 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 92.97 -11.407099 3.73116 -23.840746 1 954 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 92.58 -9.314211 3.908728 -22.465157 1 955 +ATOM N N . SER A0 1 121 . 121 SER A0 N 93.75 -11.728498 6.9726653 -25.23972 1 956 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 93.36 -12.881264 7.757763 -25.651562 1 957 +ATOM C C . SER A0 1 121 . 121 SER A0 C 93.36 -13.252134 7.429029 -27.09238 1 958 +ATOM O O . SER A0 1 121 . 121 SER A0 O 92.97 -12.382034 7.096658 -27.901634 1 959 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 92.97 -12.584202 9.25218 -25.516964 1 960 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 91.41 -13.632109 10.0435505 -26.055687 1 961 +ATOM N N . SER A0 1 122 . 122 SER A0 N 93.36 -14.562677 7.538705 -27.392893 1 962 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 92.58 -15.021961 7.3301144 -28.766235 1 963 +ATOM C C . SER A0 1 122 . 122 SER A0 C 92.97 -14.810992 8.578002 -29.621597 1 964 +ATOM O O . SER A0 1 122 . 122 SER A0 O 91.41 -15.02443 8.545419 -30.834656 1 965 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 91.8 -16.508665 6.9451394 -28.776379 1 966 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 89.45 -17.31031 7.960389 -28.188324 1 967 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 92.97 -14.39781 9.6805315 -28.972343 1 968 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 92.97 -14.191516 10.938472 -29.677689 1 969 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 92.97 -12.982803 10.869529 -30.606125 1 970 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 91.8 -12.027847 10.152988 -30.340624 1 971 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 92.19 -14.023249 12.080305 -28.683907 1 972 +ATOM N N . SER A0 1 124 . 124 SER A0 N 92.19 -13.073669 11.639299 -31.68748 1 973 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 91.8 -11.960639 11.763071 -32.619164 1 974 +ATOM C C . SER A0 1 124 . 124 SER A0 C 92.19 -11.254426 13.08555 -32.35383 1 975 +ATOM O O . SER A0 1 124 . 124 SER A0 O 91.8 -11.823212 13.996913 -31.744759 1 976 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 91.02 -12.456187 11.726726 -34.068153 1 977 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 87.89 -13.091991 10.498601 -34.367207 1 978 +ATOM N N . THR A0 1 125 . 125 THR A0 N 92.97 -10.013134 13.171476 -32.80163 1 979 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 92.97 -9.243864 14.39951 -32.60974 1 980 +ATOM C C . THR A0 1 125 . 125 THR A0 C 92.97 -10.01529 15.591925 -33.168747 1 981 +ATOM O O . THR A0 1 125 . 125 THR A0 O 92.58 -10.466795 15.566568 -34.316803 1 982 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 92.19 -7.868708 14.302408 -33.29107 1 983 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 90.62 -7.132077 13.223433 -32.711304 1 984 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 89.84 -7.0800247 15.59778 -33.13125 1 985 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 94.92 -10.17151 16.612907 -32.339443 1 986 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 94.92 -10.934328 17.787025 -32.731762 1 987 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 94.92 -10.34506 19.035093 -32.0848 1 988 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 94.53 -10.061396 19.042442 -30.886124 1 989 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 94.53 -12.404037 17.636604 -32.315304 1 990 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 93.75 -13.285405 18.828003 -32.669373 1 991 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 92.19 -14.710947 18.62598 -32.19356 1 992 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 90.23 -15.620367 19.788181 -32.58055 1 993 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 87.5 -15.143078 21.066261 -31.995243 1 994 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 95.7 -10.170134 20.065662 -32.87089 1 995 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 95.31 -9.67691 21.3326 -32.354515 1 996 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 95.7 -10.770906 22.089668 -31.625206 1 997 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 95.31 -11.957516 21.88356 -31.887257 1 998 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 96.48 -10.388763 22.98402 -30.69759 1 999 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 96.09 -11.393244 23.69289 -29.904537 1 1000 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 96.09 -12.018304 24.881248 -30.620274 1 1001 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 95.31 -11.429244 25.453455 -31.541636 1 1002 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 96.09 -10.590344 24.182182 -28.691582 1 1003 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 94.92 -9.237669 24.447525 -29.262167 1 1004 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 94.92 -9.008221 23.334194 -30.270924 1 1005 +ATOM N N . SER A0 1 129 . 129 SER A0 N 96.48 -13.220873 25.228634 -30.165125 1 1006 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 96.48 -13.851259 26.492775 -30.541344 1 1007 +ATOM C C . SER A0 1 129 . 129 SER A0 C 96.88 -13.513981 27.430939 -29.393345 1 1008 +ATOM O O . SER A0 1 129 . 129 SER A0 O 96.48 -13.575367 27.024609 -28.218683 1 1009 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 95.7 -15.366459 26.342268 -30.663822 1 1010 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 92.58 -15.710874 25.424673 -31.696407 1 1011 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 96.09 -13.115402 28.643463 -29.694223 1 1012 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 96.09 -12.716869 29.59839 -28.66635 1 1013 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 96.09 -13.713615 30.759247 -28.638176 1 1014 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 95.7 -13.902782 31.450111 -29.645039 1 1015 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 96.09 -11.283953 30.124678 -28.902056 1 1016 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 93.75 -10.868602 31.067593 -27.777346 1 1017 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 93.36 -10.304571 28.955011 -29.00421 1 1018 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 96.48 -14.344415 30.956718 -27.483047 1 1019 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 96.48 -15.35433 31.997967 -27.31958 1 1020 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 96.48 -14.92145 33.00064 -26.257122 1 1021 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 96.48 -14.285258 32.61727 -25.266197 1 1022 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 96.09 -16.707737 31.388695 -26.93006 1 1023 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 95.31 -17.209272 30.355381 -27.90012 1 1024 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 92.19 -17.348066 29.039228 -27.512102 1 1025 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 91.41 -17.538982 30.720198 -29.193031 1 1026 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 91.02 -17.809246 28.087843 -28.4061 1 1027 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 91.41 -17.999065 29.778873 -30.093721 1 1028 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 93.75 -18.134565 28.460728 -29.69406 1 1029 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 96.09 -15.270004 34.27112 -26.434175 1 1030 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 96.09 -14.872747 35.274223 -25.444824 1 1031 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 96.09 -15.759198 35.259712 -24.211565 1 1032 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 95.7 -16.9582 34.977093 -24.296452 1 1033 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 95.31 -15.031405 36.605705 -26.206184 1 1034 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 94.14 -16.159626 36.33467 -27.144768 1 1035 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 94.92 -15.967081 34.893536 -27.58138 1 1036 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 95.7 -15.15074 35.50862 -23.07256 1 1037 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 95.31 -15.85391 35.75413 -21.818691 1 1038 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 94.92 -15.672761 37.25081 -21.601515 1 1039 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 93.75 -14.687145 37.69815 -21.018967 1 1040 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 96.09 -15.250281 34.94371 -20.668541 1 1041 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 95.7 -15.354027 33.42628 -20.80538 1 1042 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 92.19 -14.523126 32.726242 -19.739292 1 1043 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 90.62 -16.79646 32.975567 -20.743885 1 1044 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 93.75 -16.61932 38.034195 -22.15652 1 1045 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 92.97 -16.503973 39.48831 -22.173382 1 1046 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 92.97 -16.661407 40.11537 -20.792086 1 1047 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 91.8 -17.508564 39.68882 -20.00874 1 1048 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 92.19 -17.532015 40.085083 -23.136345 1 1049 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 91.02 -15.849271 41.14575 -20.50286 1 1050 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 90.23 -15.959347 41.817722 -19.208305 1 1051 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 88.67 -17.28832 42.55764 -19.103397 1 1052 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 86.72 -17.75644 43.16296 -20.068756 1 1053 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 89.84 -14.773367 42.795746 -19.211609 1 1054 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 88.28 -14.510241 43.05535 -20.654648 1 1055 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 88.67 -14.811165 41.751984 -21.354464 1 1056 +ATOM N N . SER A0 1 136 . 136 SER A0 N 84.38 -17.894863 42.50415 -17.918154 1 1057 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 83.59 -19.171467 43.15972 -17.68169 1 1058 +ATOM C C . SER A0 1 136 . 136 SER A0 C 83.98 -18.980764 44.664906 -17.519657 1 1059 +ATOM O O . SER A0 1 136 . 136 SER A0 O 82.03 -18.024078 45.098965 -16.868263 1 1060 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 81.25 -19.843018 42.59385 -16.431234 1 1061 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 77.73 -21.009161 43.33857 -16.092287 1 1062 +ATOM N N . SER A0 1 137 . 137 SER A0 N 81.25 -19.903847 45.404564 -18.098278 1 1063 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 80.08 -19.861282 46.857437 -17.956635 1 1064 +ATOM C C . SER A0 1 137 . 137 SER A0 C 80.86 -20.590582 47.309467 -16.698185 1 1065 +ATOM O O . SER A0 1 137 . 137 SER A0 O 78.12 -20.61854 48.50465 -16.393349 1 1066 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 77.73 -20.507118 47.531025 -19.177269 1 1067 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 73.83 -21.873655 47.16791 -19.310936 1 1068 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 78.91 -21.191767 46.360916 -15.984531 1 1069 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 78.12 -21.960876 46.672634 -14.787767 1 1070 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 77.73 -21.357975 46.106693 -13.505735 1 1071 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 75.0 -21.971426 46.208603 -12.439398 1 1072 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 76.17 -23.397846 46.166245 -14.939495 1 1073 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 73.44 -24.182386 46.850693 -16.050768 1 1074 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 71.09 -25.605293 46.30162 -16.120903 1 1075 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 67.97 -26.389675 46.63987 -14.855101 1 1076 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 66.02 -27.78902 46.155174 -14.93115 1 1077 +ATOM N N . SER A0 1 139 . 139 SER A0 N 80.86 -20.146746 45.47674 -13.609337 1 1078 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 80.08 -19.552074 44.924362 -12.401386 1 1079 +ATOM C C . SER A0 1 139 . 139 SER A0 C 80.47 -18.05585 45.205994 -12.364632 1 1080 +ATOM O O . SER A0 1 139 . 139 SER A0 O 78.12 -17.362053 45.103935 -13.3720875 1 1081 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 78.52 -19.791618 43.42195 -12.298859 1 1082 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 76.17 -19.122059 42.727108 -13.328426 1 1083 +ATOM N N . THR A0 1 140 . 140 THR A0 N 81.64 -17.587011 45.565544 -11.164653 1 1084 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 81.64 -16.174767 45.797928 -10.898435 1 1085 +ATOM C C . THR A0 1 140 . 140 THR A0 C 82.03 -15.935274 45.56334 -9.41215 1 1086 +ATOM O O . THR A0 1 140 . 140 THR A0 O 79.69 -16.869083 45.65744 -8.600779 1 1087 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 79.3 -15.753746 47.229523 -11.285614 1 1088 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 76.17 -14.353668 47.381042 -11.092981 1 1089 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 74.22 -16.494564 48.264523 -10.445198 1 1090 +ATOM N N . SER A0 1 141 . 141 SER A0 N 81.25 -14.715426 45.250473 -9.062355 1 1091 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 80.86 -14.3578205 45.02438 -7.6662016 1 1092 +ATOM C C . SER A0 1 141 . 141 SER A0 C 81.64 -13.117614 45.849415 -7.3317747 1 1093 +ATOM O O . SER A0 1 141 . 141 SER A0 O 78.91 -11.99443 45.44457 -7.6229043 1 1094 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 78.91 -14.085408 43.55307 -7.4126043 1 1095 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 75.39 -13.721291 43.32232 -6.0506325 1 1096 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 81.64 -13.353571 47.00779 -6.7523284 1 1097 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 81.25 -12.244728 47.866302 -6.38636 1 1098 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 82.42 -11.412104 48.305225 -7.5755444 1 1099 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 79.69 -10.184999 48.359303 -7.486356 1 1100 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 86.33 -12.069897 48.56885 -8.695424 1 1101 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 86.72 -11.37519 48.989937 -9.899086 1 1102 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 87.89 -10.833796 47.852562 -10.740765 1 1103 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 86.33 -10.06072 48.087547 -11.675903 1 1104 +ATOM N N . THR A0 1 144 . 144 THR A0 N 90.23 -11.229803 46.59611 -10.433294 1 1105 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 90.23 -10.758121 45.41873 -11.166413 1 1106 +ATOM C C . THR A0 1 144 . 144 THR A0 C 90.62 -11.908055 44.764465 -11.922269 1 1107 +ATOM O O . THR A0 1 144 . 144 THR A0 O 89.45 -13.007099 44.62918 -11.393942 1 1108 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 88.67 -10.117494 44.4086 -10.207502 1 1109 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 85.16 -8.988335 45.007095 -9.567383 1 1110 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 83.98 -9.661967 43.155724 -10.9471245 1 1111 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 92.58 -11.632681 44.33881 -13.164423 1 1112 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 92.97 -12.6209955 43.645844 -13.987011 1 1113 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 93.75 -12.056707 42.296875 -14.409592 1 1114 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 92.97 -10.838709 42.12058 -14.490304 1 1115 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 91.41 -12.969493 44.476048 -15.223183 1 1116 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 94.53 -12.947356 41.32122 -14.660952 1 1117 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 94.53 -12.522882 39.99541 -15.100296 1 1118 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 94.53 -12.965111 39.754745 -16.538834 1 1119 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 93.75 -14.0387535 40.193718 -16.95158 1 1120 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 94.53 -13.094503 38.922485 -14.18746 1 1121 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 95.7 -12.138243 39.04998 -17.301205 1 1122 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 95.7 -12.453852 38.655872 -18.661713 1 1123 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 95.7 -11.749777 37.32556 -18.93903 1 1124 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 95.31 -10.884207 36.900787 -18.17324 1 1125 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 95.31 -12.016598 39.724567 -19.676664 1 1126 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 93.75 -10.5403805 40.11807 -19.700386 1 1127 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 91.41 -9.780516 39.33233 -20.764132 1 1128 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 90.62 -10.387673 41.617683 -19.93933 1 1129 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 96.09 -12.121342 36.66493 -20.029896 1 1130 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 96.09 -11.477146 35.391296 -20.31804 1 1131 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 96.48 -11.858662 34.80367 -21.66101 1 1132 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 95.7 -12.444744 35.479248 -22.519762 1 1133 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 96.88 -11.481146 33.542606 -21.836134 1 1134 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 96.48 -11.7760935 32.78974 -23.05119 1 1135 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 96.88 -12.2797165 31.401915 -22.673145 1 1136 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 96.48 -11.713708 30.75569 -21.783772 1 1137 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 96.09 -10.5329075 32.658176 -23.93377 1 1138 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 92.19 -10.130289 34.12996 -24.864916 1 1139 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 96.88 -13.346622 30.950457 -23.346132 1 1140 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 96.88 -13.88139 29.60837 -23.16132 1 1141 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 96.88 -13.347403 28.755108 -24.304083 1 1142 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 96.48 -13.6185055 29.038383 -25.478508 1 1143 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 96.88 -15.413734 29.640476 -23.182713 1 1144 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 96.09 -16.13357 28.291399 -23.150433 1 1145 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 92.97 -17.644175 28.508396 -23.31171 1 1146 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 92.19 -15.826905 27.545288 -21.859745 1 1147 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 96.88 -12.564966 27.727207 -23.962109 1 1148 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 96.88 -11.952354 26.83888 -24.948605 1 1149 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 96.88 -12.746652 25.54018 -24.90671 1 1150 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 96.48 -12.545599 24.694702 -24.031136 1 1151 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 96.88 -10.461364 26.603996 -24.623657 1 1152 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 94.14 -9.799629 25.781569 -25.713127 1 1153 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 93.36 -9.744355 27.944023 -24.44485 1 1154 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 96.88 -13.663349 25.388714 -25.86264 1 1155 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 96.48 -14.669295 24.344265 -25.785717 1 1156 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 96.48 -14.589387 23.287884 -26.886766 1 1157 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 95.7 -14.233952 23.585945 -28.036606 1 1158 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 96.09 -16.068836 24.985111 -25.791973 1 1159 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 95.31 -17.214066 24.018812 -25.532707 1 1160 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 93.75 -18.531693 24.763065 -25.390457 1 1161 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 92.58 -19.723248 23.81595 -25.403683 1 1162 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 89.84 -19.697643 22.850975 -24.287144 1 1163 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 96.09 -14.926008 22.068756 -26.50422 1 1164 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 96.09 -15.120189 20.934467 -27.40801 1 1165 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 96.09 -13.866461 20.543941 -28.185556 1 1166 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 95.7 -13.831987 20.593018 -29.41613 1 1167 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 95.31 -16.282444 21.213432 -28.370914 1 1168 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 94.92 -17.619633 21.331715 -27.665943 1 1169 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 93.36 -17.761005 20.761463 -26.563606 1 1170 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 92.58 -18.52852 21.987865 -28.20876 1 1171 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 95.31 -12.843773 20.080496 -27.457146 1 1172 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 95.31 -11.632216 19.592072 -28.099346 1 1173 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 94.92 -11.277439 18.203127 -27.579853 1 1174 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 94.53 -11.772258 17.758844 -26.539448 1 1175 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 95.7 -10.456541 20.557472 -27.890966 1 1176 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 95.7 -10.010438 20.700945 -26.452911 1 1177 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 94.14 -10.5640545 21.679852 -25.62761 1 1178 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 93.36 -9.018684 19.88523 -25.927982 1 1179 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 92.97 -10.147865 21.829548 -24.318481 1 1180 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 93.36 -8.595778 20.028803 -24.61765 1 1181 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 94.92 -9.1585045 21.004286 -23.814138 1 1182 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 95.31 -8.74063 21.15305 -22.521515 1 1183 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 94.53 -10.4364805 17.509527 -28.346012 1 1184 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 94.53 -9.963298 16.172342 -27.965055 1 1185 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 94.53 -8.71995 15.840338 -28.765514 1 1186 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 93.75 -8.666345 16.136963 -29.963224 1 1187 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 93.75 -11.052765 15.1262 -28.22071 1 1188 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 92.97 -10.652039 13.750462 -27.774113 1 1189 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 91.8 -10.028449 12.867881 -28.649708 1 1190 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 91.02 -10.867331 13.340179 -26.465958 1 1191 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 89.84 -9.636478 11.605852 -28.228252 1 1192 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 89.45 -10.476031 12.083697 -26.043913 1 1193 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 90.23 -9.863646 11.211234 -26.925941 1 1194 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 92.97 -7.729863 15.220479 -28.145214 1 1195 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 92.97 -7.5922956 14.963793 -26.702562 1 1196 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 92.97 -6.9089985 16.120861 -25.993822 1 1197 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 92.58 -6.6999426 17.188135 -26.590595 1 1198 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 92.19 -6.690575 13.719701 -26.69444 1 1199 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 90.62 -5.7540627 13.975929 -27.83376 1 1200 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 90.23 -6.577208 14.66335 -28.894161 1 1201 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 91.41 -6.6016808 15.929348 -24.734629 1 1202 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 91.02 -5.771841 16.888086 -24.005447 1 1203 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 91.02 -4.38026 16.866295 -24.609753 1 1204 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 89.45 -3.9724863 15.862028 -25.216064 1 1205 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 90.23 -5.7011313 16.489965 -22.52451 1 1206 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 88.67 -7.0023856 16.70773 -21.77507 1 1207 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 87.89 -6.939767 17.906025 -20.863884 1 1208 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 85.94 -6.823413 19.035072 -21.376848 1 1209 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 85.16 -7.001758 17.719198 -19.626001 1 1210 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 91.41 -3.594614 17.925898 -24.497217 1 1211 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 91.02 -3.8851738 19.182697 -23.810097 1 1212 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 91.8 -4.0574384 20.360565 -24.749207 1 1213 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 91.41 -3.8223314 20.2378 -25.951374 1 1214 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 89.45 -2.615262 19.40131 -22.96451 1 1215 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 87.5 -1.5252908 18.951395 -23.89288 1 1216 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 86.72 -2.1065767 17.813251 -24.709866 1 1217 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 94.92 -4.483389 21.478264 -24.178356 1 1218 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 94.92 -4.4308476 22.768461 -24.859661 1 1219 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 94.92 -3.5871396 23.683687 -23.989925 1 1220 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 93.75 -3.4941738 23.490406 -22.771059 1 1221 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 94.53 -5.818512 23.42038 -25.067488 1 1222 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 92.58 -6.670321 22.609245 -26.026407 1 1223 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 91.8 -6.5213437 23.63146 -23.737299 1 1224 +ATOM N N . THR A0 1 160 . 160 THR A0 N 96.09 -2.9305015 24.651608 -24.61855 1 1225 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 95.7 -2.1809697 25.652592 -23.871674 1 1226 +ATOM C C . THR A0 1 160 . 160 THR A0 C 96.09 -2.8075795 27.009644 -24.162802 1 1227 +ATOM O O . THR A0 1 160 . 160 THR A0 O 95.31 -3.2599735 27.266941 -25.287634 1 1228 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 94.53 -0.6948415 25.679028 -24.260746 1 1229 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 91.8 -0.5616585 25.93818 -25.660938 1 1230 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 89.84 -0.032646053 24.351994 -23.92905 1 1231 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 96.48 -2.8662672 27.865982 -23.145054 1 1232 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 96.48 -3.4419177 29.19528 -23.292807 1 1233 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 96.09 -2.4804313 30.231129 -22.722061 1 1234 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 95.7 -1.9800798 30.071575 -21.606396 1 1235 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 96.48 -4.8034906 29.317154 -22.5668 1 1236 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 93.36 -5.4044895 30.703445 -22.804707 1 1237 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 92.58 -5.7711344 28.244356 -23.040512 1 1238 +ATOM N N . SER A0 1 162 . 162 SER A0 N 96.48 -2.2195084 31.269236 -23.487751 1 1239 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 96.09 -1.4494894 32.41084 -23.011778 1 1240 +ATOM C C . SER A0 1 162 . 162 SER A0 C 96.09 -2.250143 33.667747 -23.299282 1 1241 +ATOM O O . SER A0 1 162 . 162 SER A0 O 96.09 -3.236468 33.627525 -24.04171 1 1242 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 96.09 -0.07100262 32.47934 -23.68658 1 1243 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 94.14 -0.19474484 32.725853 -25.077463 1 1244 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 96.48 -1.8346083 34.77797 -22.70998 1 1245 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 96.09 -2.5061932 36.044662 -22.927711 1 1246 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 96.09 -1.5185943 37.072838 -23.472582 1 1247 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 95.31 -0.41038358 37.220665 -22.955667 1 1248 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 96.09 -3.1614509 36.541775 -21.629808 1 1249 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 96.09 -4.4117823 35.79237 -21.299707 1 1250 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 94.92 -4.5087852 34.64195 -20.58256 1 1251 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 95.7 -5.7370505 36.122597 -21.711483 1 1252 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 94.53 -5.8220806 34.233818 -20.521318 1 1253 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 94.92 -6.59287 35.12918 -21.198492 1 1254 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 95.31 -6.293237 37.170662 -22.470371 1 1255 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 95.7 -7.966486 35.1457 -21.417568 1 1256 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 95.31 -7.652364 37.18643 -22.685156 1 1257 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 95.31 -8.47879 36.18419 -22.162727 1 1258 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 96.09 -1.9449971 37.765255 -24.519733 1 1259 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 95.7 -1.1152745 38.76909 -25.18431 1 1260 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 95.7 0.2721262 38.20551 -25.49749 1 1261 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 95.31 1.296396 38.830887 -25.220888 1 1262 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 95.7 -1.0190619 40.039505 -24.338253 1 1263 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 95.31 -2.3486998 40.76895 -24.259317 1 1264 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 92.58 -3.3082328 40.40392 -24.93897 1 1265 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 92.19 -2.4323807 41.79113 -23.417519 1 1266 +ATOM N N . SER A0 1 165 . 165 SER A0 N 95.7 0.26571354 36.971718 -26.071537 1 1267 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 95.7 1.4855237 36.281754 -26.492605 1 1268 +ATOM C C . SER A0 1 165 . 165 SER A0 C 95.7 2.4903932 36.119812 -25.35785 1 1269 +ATOM O O . SER A0 1 165 . 165 SER A0 O 94.92 3.6957014 36.107937 -25.580751 1 1270 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 95.31 2.1341338 37.00836 -27.67294 1 1271 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 92.58 1.2415543 37.089897 -28.774567 1 1272 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 95.31 1.9722648 35.97071 -24.13108 1 1273 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 95.31 2.8193479 35.744854 -22.973377 1 1274 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 95.31 3.1843438 36.990337 -22.199738 1 1275 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 94.92 3.8023849 36.8926 -21.142073 1 1276 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 95.31 2.7986898 38.137672 -22.69313 1 1277 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 95.31 3.1279926 39.39436 -22.023998 1 1278 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 95.31 2.2719145 39.62642 -20.783989 1 1279 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 94.92 2.6663835 40.38018 -19.891716 1 1280 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 94.92 2.9707246 40.569595 -22.991407 1 1281 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 95.7 1.0991045 38.983025 -20.742603 1 1282 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 96.09 0.19757709 39.13769 -19.610144 1 1283 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 95.7 0.13001129 37.828243 -18.82944 1 1284 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 95.31 -0.3609859 36.81891 -19.341434 1 1285 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 95.7 -1.2058866 39.53808 -20.090363 1 1286 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 94.53 -2.2906957 39.687027 -19.022387 1 1287 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 92.19 -3.6091828 40.09666 -19.673649 1 1288 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 91.41 -1.8802111 40.67562 -17.946749 1 1289 +ATOM N N . THR A0 1 169 . 169 THR A0 N 94.92 0.6491686 37.82544 -17.61811 1 1290 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 94.53 0.6440489 36.63598 -16.77695 1 1291 +ATOM C C . THR A0 1 169 . 169 THR A0 C 94.53 0.031118542 36.902016 -15.404425 1 1292 +ATOM O O . THR A0 1 169 . 169 THR A0 O 93.75 -0.52794826 35.989487 -14.799337 1 1293 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 94.14 2.0665176 36.075554 -16.585564 1 1294 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 91.8 2.9013658 37.08403 -16.010082 1 1295 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 90.23 2.6595466 35.632603 -17.918842 1 1296 +ATOM N N . SER A0 1 170 . 170 SER A0 N 94.14 0.12515855 38.119736 -14.927183 1 1297 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 94.14 -0.40444434 38.4682 -13.614602 1 1298 +ATOM C C . SER A0 1 170 . 170 SER A0 C 94.92 -1.9282489 38.40426 -13.615607 1 1299 +ATOM O O . SER A0 1 170 . 170 SER A0 O 94.53 -2.5759714 38.954185 -14.506069 1 1300 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 92.58 0.06275855 39.868927 -13.210083 1 1301 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 87.5 -0.4404886 40.23103 -11.9411125 1 1302 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 94.53 -2.4958603 37.721203 -12.63617 1 1303 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 94.53 -3.9310482 37.612186 -12.499769 1 1304 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 95.31 -4.5733423 36.575188 -13.399675 1 1305 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 94.92 -5.801941 36.49035 -13.446008 1 1306 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 95.7 -3.763873 35.775063 -14.10065 1 1307 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 96.09 -4.284169 34.760815 -15.012585 1 1308 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 95.7 -4.571081 33.451702 -14.281338 1 1309 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 95.31 -3.7566047 32.997276 -13.471747 1 1310 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 96.48 -3.303165 34.49828 -16.179243 1 1311 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 93.75 -3.7782087 33.31974 -17.024809 1 1312 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 93.36 -3.1525292 35.744232 -17.03768 1 1313 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 96.88 -5.722869 32.85263 -14.562645 1 1314 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 96.48 -6.0551577 31.5168 -14.07957 1 1315 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 96.88 -6.560869 30.696789 -15.257257 1 1316 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 96.88 -7.603709 31.01904 -15.8339815 1 1317 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 96.09 -7.15228 31.557514 -12.999421 1 1318 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 94.92 -6.726283 32.19211 -11.713818 1 1319 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 91.02 -5.689677 31.688372 -10.948298 1 1320 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 89.84 -7.2016315 33.264908 -11.056831 1 1321 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 90.23 -5.5418234 32.440125 -9.88183 1 1322 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 90.62 -6.4425254 33.410027 -9.918053 1 1323 +ATOM N N . THR A0 1 174 . 174 THR A0 N 96.09 -5.819787 29.651669 -15.603889 1 1324 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 96.09 -6.2754183 28.723543 -16.634718 1 1325 +ATOM C C . THR A0 1 174 . 174 THR A0 C 95.7 -6.6926765 27.447216 -15.9093075 1 1326 +ATOM O O . THR A0 1 174 . 174 THR A0 O 95.31 -5.8626575 26.770378 -15.301408 1 1327 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 96.09 -5.1692886 28.448452 -17.66835 1 1328 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 94.92 -4.8500214 29.67649 -18.3438 1 1329 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 94.53 -5.63789 27.426903 -18.69622 1 1330 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 96.09 -7.978034 27.141342 -15.959484 1 1331 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 96.48 -8.536904 26.038353 -15.187774 1 1332 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 96.09 -8.2551565 24.67467 -15.806139 1 1333 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 95.31 -8.093847 24.552332 -17.02444 1 1334 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 96.48 -10.051962 26.216446 -15.036266 1 1335 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 96.48 -10.42938 27.382267 -14.17623 1 1336 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 94.92 -10.627893 28.638798 -14.728128 1 1337 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 93.75 -10.568165 27.217804 -12.810207 1 1338 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 94.14 -10.950344 29.718288 -13.922213 1 1339 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 94.14 -10.890097 28.288668 -11.998719 1 1340 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 96.09 -11.084387 29.545807 -12.560356 1 1341 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 94.14 -8.183226 23.625721 -14.9419365 1 1342 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 94.14 -8.0454445 22.264118 -15.468351 1 1343 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 94.92 -9.243478 21.945019 -16.360111 1 1344 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 94.92 -10.368748 22.382824 -16.083786 1 1345 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 92.97 -8.049871 21.395996 -14.207211 1 1346 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 91.41 -7.5805025 22.317608 -13.11795 1 1347 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 92.58 -8.17198 23.651752 -13.476095 1 1348 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 93.75 -8.993391 21.205025 -17.429295 1 1349 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 93.36 -10.06666 20.840992 -18.345825 1 1350 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 93.36 -11.047022 19.880898 -17.68105 1 1351 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 92.58 -10.677698 19.121992 -16.788055 1 1352 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 93.75 -9.488796 20.208078 -19.609207 1 1353 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 94.92 -12.297768 19.91901 -18.11509 1 1354 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 94.14 -13.305721 18.97457 -17.655874 1 1355 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 94.53 -13.773672 18.166685 -18.861599 1 1356 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 94.14 -13.841244 18.67739 -19.984613 1 1357 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 93.75 -14.512755 19.671337 -16.98508 1 1358 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 92.19 -14.062464 20.42129 -15.732939 1 1359 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 91.02 -15.223587 20.602762 -17.958078 1 1360 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 92.97 -14.060129 16.877655 -18.624851 1 1361 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 92.58 -14.555992 16.004541 -19.684013 1 1362 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 92.97 -16.080473 16.087257 -19.70186 1 1363 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 92.19 -16.740837 15.726096 -18.724876 1 1364 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 91.8 -14.105723 14.563723 -19.458832 1 1365 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 90.23 -14.534344 13.547453 -20.513554 1 1366 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 88.28 -14.1188545 12.14706 -20.098713 1 1367 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 87.89 -13.929455 13.909971 -21.877811 1 1368 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 94.14 -16.632563 16.54391 -20.81167 1 1369 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 93.75 -18.077415 16.69564 -20.949898 1 1370 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 92.97 -18.720583 15.367046 -21.327633 1 1371 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 91.8 -18.04522 14.421448 -21.742205 1 1372 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 93.75 -18.39496 17.747614 -22.013752 1 1373 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 93.75 -17.787783 19.105621 -21.72527 1 1374 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 93.75 -17.940716 20.065716 -22.883968 1 1375 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 89.84 -18.858484 20.882778 -22.901213 1 1376 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 89.45 -17.053635 19.951496 -23.864511 1 1377 +ATOM N N . SER A0 1 181 . 181 SER A0 N 92.58 -20.0525 15.27453 -21.164532 1 1378 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 91.8 -20.780783 14.048903 -21.496914 1 1379 +ATOM C C . SER A0 1 181 . 181 SER A0 C 92.19 -20.631718 13.680552 -22.970896 1 1380 +ATOM O O . SER A0 1 181 . 181 SER A0 O 91.02 -20.794817 12.513998 -23.336582 1 1381 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 90.23 -22.262486 14.202726 -21.148117 1 1382 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 87.89 -22.435116 14.399581 -19.754179 1 1383 +ATOM N N . SER A0 1 182 . 182 SER A0 N 92.97 -20.31423 14.666698 -23.795439 1 1384 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 92.58 -20.107494 14.442337 -25.227776 1 1385 +ATOM C C . SER A0 1 182 . 182 SER A0 C 92.19 -18.814548 13.696292 -25.51449 1 1386 +ATOM O O . SER A0 1 182 . 182 SER A0 O 91.02 -18.63255 13.177784 -26.62201 1 1387 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 92.19 -20.087814 15.781602 -25.969929 1 1388 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 91.02 -18.99688 16.571629 -25.537365 1 1389 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 92.97 -17.924389 13.628219 -24.527458 1 1390 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 92.58 -16.626637 13.000256 -24.709808 1 1391 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 93.36 -15.5448065 13.97888 -25.112364 1 1392 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 92.97 -14.394644 13.584 -25.32162 1 1393 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 94.53 -15.909791 15.2622795 -25.2112 1 1394 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 94.53 -14.962561 16.311737 -25.556892 1 1395 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 94.53 -14.607992 17.123276 -24.31776 1 1396 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 94.14 -15.381551 17.183588 -23.360249 1 1397 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 94.53 -15.549491 17.233353 -26.634357 1 1398 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 94.14 -15.992109 16.558151 -27.934753 1 1399 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 92.97 -16.714947 17.557657 -28.833172 1 1400 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 92.19 -14.794661 15.956028 -28.653894 1 1401 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 95.31 -13.431585 17.743813 -24.329628 1 1402 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 95.31 -12.968525 18.537487 -23.200096 1 1403 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 95.7 -13.332131 20.004658 -23.355791 1 1404 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 95.31 -13.580069 20.488098 -24.467043 1 1405 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 94.53 -11.447979 18.412712 -23.040884 1 1406 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 93.75 -10.986677 17.036636 -22.632978 1 1407 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 92.19 -10.545814 16.120237 -23.578377 1 1408 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 91.41 -10.966709 16.664265 -21.298738 1 1409 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 90.23 -10.108229 14.8600235 -23.210258 1 1410 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 90.23 -10.526518 15.401665 -20.914774 1 1411 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 90.23 -10.099221 14.509732 -21.879358 1 1412 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 89.45 -9.665666 13.2670765 -21.510876 1 1413 +ATOM N N . SER A0 1 186 . 186 SER A0 N 96.09 -13.349579 20.702953 -22.238909 1 1414 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 96.09 -13.618529 22.136124 -22.221725 1 1415 +ATOM C C . SER A0 1 186 . 186 SER A0 C 96.09 -12.8849945 22.762196 -21.045229 1 1416 +ATOM O O . SER A0 1 186 . 186 SER A0 O 95.7 -12.786619 22.15926 -19.975796 1 1417 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 95.7 -15.123114 22.40514 -22.100817 1 1418 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 94.14 -15.404699 23.800854 -22.066992 1 1419 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 97.27 -12.380869 23.967411 -21.231087 1 1420 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 96.88 -11.772206 24.714489 -20.137537 1 1421 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 96.88 -11.9403515 26.205082 -20.372091 1 1422 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 96.88 -12.267037 26.638437 -21.474043 1 1423 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 96.09 -10.295305 24.360954 -19.948708 1 1424 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 95.7 -9.227786 24.76218 -20.9623 1 1425 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 94.14 -7.9507933 23.983236 -20.668602 1 1426 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 93.36 -8.914557 26.265526 -20.976353 1 1427 +ATOM N N . SER A0 1 188 . 188 SER A0 N 98.05 -11.730734 26.97921 -19.318726 1 1428 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 97.66 -11.758272 28.43208 -19.417725 1 1429 +ATOM C C . SER A0 1 188 . 188 SER A0 C 98.05 -10.456554 29.000286 -18.877926 1 1430 +ATOM O O . SER A0 1 188 . 188 SER A0 O 97.27 -9.832844 28.418663 -17.986694 1 1431 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 96.48 -12.932016 29.024813 -18.633392 1 1432 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 91.8 -14.156824 28.836872 -19.313354 1 1433 +ATOM N N . SER A0 1 189 . 189 SER A0 N 97.27 -10.037802 30.110203 -19.45052 1 1434 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 97.27 -8.878874 30.851889 -18.963032 1 1435 +ATOM C C . SER A0 1 189 . 189 SER A0 C 96.88 -9.369253 32.26796 -18.682865 1 1436 +ATOM O O . SER A0 1 189 . 189 SER A0 O 96.48 -9.998329 32.88668 -19.543854 1 1437 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 97.27 -7.748913 30.871075 -19.993755 1 1438 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 94.53 -6.6210833 31.59746 -19.506723 1 1439 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 97.27 -9.1024475 32.741245 -17.470882 1 1440 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 96.48 -9.570147 34.075443 -17.094067 1 1441 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 96.88 -8.408758 34.933746 -16.613083 1 1442 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 96.48 -7.3431435 34.423126 -16.263943 1 1443 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 96.09 -10.6520195 34.020897 -15.990311 1 1444 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 93.36 -11.86253 33.219185 -16.459652 1 1445 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 91.8 -10.07609 33.432076 -14.70376 1 1446 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 95.7 -8.626347 36.254475 -16.618282 1 1447 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 96.09 -7.615013 37.18255 -16.12167 1 1448 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 95.7 -8.334971 38.40232 -15.550239 1 1449 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 95.31 -9.371248 38.82306 -16.071682 1 1450 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 96.09 -6.6240973 37.601387 -17.23925 1 1451 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 92.97 -5.5206327 38.496723 -16.668629 1 1452 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 91.41 -7.3416777 38.28624 -18.394053 1 1453 +ATOM N N . THR A0 1 192 . 192 THR A0 N 94.92 -7.7900796 38.939377 -14.451516 1 1454 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 94.53 -8.340852 40.162758 -13.876801 1 1455 +ATOM C C . THR A0 1 192 . 192 THR A0 C 94.92 -7.4234104 41.31852 -14.27434 1 1456 +ATOM O O . THR A0 1 192 . 192 THR A0 O 94.14 -6.1904736 41.19715 -14.237635 1 1457 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 94.14 -8.462526 40.085907 -12.3380375 1 1458 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 91.02 -7.22017 39.65522 -11.782501 1 1459 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 89.45 -9.5689125 39.12587 -11.937662 1 1460 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 94.14 -8.032331 42.440758 -14.670845 1 1461 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 93.75 -7.3013773 43.608887 -15.157049 1 1462 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 92.97 -7.927648 44.879883 -14.586003 1 1463 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 92.19 -9.047901 44.855553 -14.076732 1 1464 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 93.75 -7.321692 43.684265 -16.705132 1 1465 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 92.19 -6.6816516 42.440384 -17.321356 1 1466 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 91.41 -8.751921 43.856155 -17.206314 1 1467 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 92.97 -7.1976967 46.00753 -14.6491 1 1468 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 92.58 -7.7934766 47.26316 -14.189932 1 1469 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 92.58 -9.007841 47.606247 -15.056805 1 1470 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 92.19 -8.933559 47.53641 -16.286282 1 1471 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 92.19 -6.668786 48.297127 -14.375034 1 1472 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 91.02 -5.4072914 47.492863 -14.359303 1 1473 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 90.62 -5.779874 46.20249 -15.026157 1 1474 +ATOM N N . SER A0 1 195 . 195 SER A0 N 91.02 -10.117242 47.94596 -14.414782 1 1475 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 90.23 -11.320415 48.275932 -15.169618 1 1476 +ATOM C C . SER A0 1 195 . 195 SER A0 C 90.62 -11.107657 49.50826 -16.04317 1 1477 +ATOM O O . SER A0 1 195 . 195 SER A0 O 89.84 -11.758841 49.665855 -17.080135 1 1478 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 89.45 -12.503983 48.50574 -14.215826 1 1479 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 85.94 -12.237339 49.540077 -13.296043 1 1480 +ATOM N N . SER A0 1 196 . 196 SER A0 N 90.62 -10.183528 50.374184 -15.651749 1 1481 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 90.23 -9.889166 51.579533 -16.421894 1 1482 +ATOM C C . SER A0 1 196 . 196 SER A0 C 89.84 -9.189572 51.267426 -17.740585 1 1483 +ATOM O O . SER A0 1 196 . 196 SER A0 O 88.67 -9.143773 52.11955 -18.635479 1 1484 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 89.84 -9.027979 52.54009 -15.596943 1 1485 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 87.5 -7.796275 51.942825 -15.2435875 1 1486 +ATOM N N . SER A0 1 197 . 197 SER A0 N 91.8 -8.645457 50.037746 -17.871296 1 1487 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 91.8 -7.9388423 49.655025 -19.093616 1 1488 +ATOM C C . SER A0 1 197 . 197 SER A0 C 91.8 -8.888085 49.1397 -20.168034 1 1489 +ATOM O O . SER A0 1 197 . 197 SER A0 O 90.62 -8.486223 49.022083 -21.331455 1 1490 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 91.41 -6.8842945 48.59926 -18.785423 1 1491 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 90.23 -7.484461 47.357407 -18.471504 1 1492 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 90.62 -10.132143 48.831753 -19.794413 1 1493 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 90.23 -11.095526 48.326523 -20.761675 1 1494 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 89.84 -11.402565 49.41218 -21.804567 1 1495 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 88.28 -11.761663 50.536373 -21.46127 1 1496 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 89.84 -12.393347 47.903606 -20.061329 1 1497 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 88.67 -12.262462 46.75293 -19.049137 1 1498 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 87.11 -13.613349 46.473366 -18.41576 1 1499 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 85.94 -11.690212 45.519997 -19.693182 1 1500 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 90.23 -11.257637 49.090187 -23.057453 1 1501 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 89.06 -11.486176 50.024902 -24.135273 1 1502 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 89.45 -10.224812 50.69252 -24.650436 1 1503 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 87.89 -10.223768 51.2648 -25.749273 1 1504 +ATOM N N . THR A0 1 200 . 200 THR A0 N 91.02 -9.128597 50.610203 -23.874157 1 1505 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 91.02 -7.864396 51.203224 -24.294472 1 1506 +ATOM C C . THR A0 1 200 . 200 THR A0 C 91.8 -6.7787566 50.154133 -24.48327 1 1507 +ATOM O O . THR A0 1 200 . 200 THR A0 O 90.62 -5.9262104 50.296154 -25.358578 1 1508 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 89.45 -7.377245 52.25788 -23.284542 1 1509 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 86.72 -7.2635155 51.669952 -21.997002 1 1510 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 84.77 -8.348795 53.431477 -23.21875 1 1511 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 92.97 -6.8030434 49.103683 -23.679052 1 1512 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 92.97 -5.8269353 48.01667 -23.778215 1 1513 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 93.36 -6.450879 46.834877 -24.507912 1 1514 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 92.19 -7.5987515 46.46814 -24.234325 1 1515 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 92.19 -5.356474 47.589108 -22.38128 1 1516 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 89.84 -4.419822 46.385094 -22.381931 1 1517 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 88.67 -3.0912006 46.668472 -23.038914 1 1518 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 85.55 -2.431333 47.64386 -22.711037 1 1519 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 84.38 -2.701668 45.831528 -23.999712 1 1520 +ATOM N N . THR A0 1 202 . 202 THR A0 N 94.53 -5.699369 46.214684 -25.41262 1 1521 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 94.53 -6.171583 45.052956 -26.1561 1 1522 +ATOM C C . THR A0 1 202 . 202 THR A0 C 94.92 -5.8326125 43.780556 -25.400408 1 1523 +ATOM O O . THR A0 1 202 . 202 THR A0 O 94.14 -4.6918974 43.590065 -24.969429 1 1524 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 93.36 -5.547125 45.008488 -27.559422 1 1525 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 89.84 -5.943513 46.17637 -28.288403 1 1526 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 87.89 -5.9922266 43.766487 -28.312948 1 1527 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 95.7 -6.818638 42.880947 -25.23063 1 1528 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 95.7 -6.6172915 41.60442 -24.566372 1 1529 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 95.7 -6.9276524 40.477417 -25.539951 1 1530 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 95.31 -8.039873 40.38195 -26.059784 1 1531 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 95.31 -7.4876566 41.498512 -23.308693 1 1532 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 94.53 -7.1019764 42.515755 -22.253483 1 1533 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 91.8 -7.8918447 43.62636 -22.000778 1 1534 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 91.02 -5.932489 42.353725 -21.525482 1 1535 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 90.62 -7.52588 44.559746 -21.04596 1 1536 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 91.41 -5.5564103 43.285233 -20.569817 1 1537 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 92.97 -6.3559313 44.38581 -20.33434 1 1538 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 92.58 -5.988162 45.308235 -19.398243 1 1539 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 96.48 -5.9183073 39.617165 -25.77994 1 1540 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 96.48 -6.0433846 38.503593 -26.718338 1 1541 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 96.48 -5.5956917 37.213715 -26.04724 1 1542 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 96.48 -4.4994097 37.151875 -25.48433 1 1543 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 95.7 -5.1976647 38.748924 -27.983864 1 1544 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 92.58 -5.6634016 40.018402 -28.709034 1 1545 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 92.58 -5.268317 37.53958 -28.923801 1 1546 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 90.23 -4.762722 40.442345 -29.866344 1 1547 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 96.48 -6.473491 36.15811 -26.089363 1 1548 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 96.48 -6.054684 34.856377 -25.577667 1 1549 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 96.48 -5.5184507 34.056866 -26.756355 1 1550 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 95.7 -6.110387 34.04477 -27.842243 1 1551 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 95.7 -7.1904407 34.122917 -24.871843 1 1552 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 94.53 -8.536209 33.584103 -25.914804 1 1553 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 96.48 -4.3580904 33.410072 -26.545013 1 1554 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 96.48 -3.697712 32.615517 -27.57874 1 1555 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 96.09 -3.85572 31.144512 -27.21346 1 1556 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 96.09 -3.3052049 30.693697 -26.203905 1 1557 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 96.09 -2.2101383 32.9804 -27.679134 1 1558 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 95.7 -1.97083 34.46911 -27.551804 1 1559 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 92.58 -1.4898098 34.936516 -26.504658 1 1560 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 91.8 -2.2996616 35.22667 -28.576073 1 1561 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 96.48 -4.6217527 30.40714 -28.025385 1 1562 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 96.48 -4.9330087 29.009874 -27.747335 1 1563 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 96.48 -4.2175756 28.102657 -28.748375 1 1564 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 95.7 -4.286025 28.325974 -29.956816 1 1565 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 96.48 -6.4579124 28.765503 -27.80309 1 1566 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 93.36 -6.778963 27.306824 -27.531023 1 1567 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 92.97 -7.1763725 29.673418 -26.8054 1 1568 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 96.09 -3.5488284 27.061394 -28.218655 1 1569 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 95.7 -2.8225882 26.119366 -29.06324 1 1570 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 95.7 -3.2322726 24.693026 -28.70191 1 1571 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 95.31 -3.1184223 24.280718 -27.551514 1 1572 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 95.31 -1.3106124 26.299467 -28.877102 1 1573 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 92.58 -0.49773857 25.592667 -29.937592 1 1574 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 89.84 -1.0352682 24.880592 -30.786842 1 1575 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 88.67 0.80708694 25.791992 -29.915485 1 1576 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 94.92 -3.711588 23.948399 -29.703114 1 1577 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 94.92 -4.07562 22.534843 -29.540386 1 1578 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 94.92 -3.2768257 21.742172 -30.57063 1 1579 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 94.14 -3.6963322 21.607151 -31.730232 1 1580 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 94.92 -5.581777 22.331947 -29.741741 1 1581 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 94.92 -6.0256033 20.917955 -29.510366 1 1582 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 92.58 -6.657946 20.168139 -30.472486 1 1583 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 92.19 -5.939542 20.12707 -28.418062 1 1584 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 92.19 -6.9314833 18.97491 -29.982302 1 1585 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 92.19 -6.505125 18.921186 -28.728317 1 1586 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 92.58 -2.120928 21.274656 -30.144451 1 1587 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 91.8 -1.1950829 20.602266 -31.047894 1 1588 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 92.19 -1.748767 19.33174 -31.691174 1 1589 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 91.41 -1.4581323 19.079182 -32.867874 1 1590 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 90.62 0.124677226 20.305536 -30.327686 1 1591 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 87.5 0.9354098 21.554672 -30.020647 1 1592 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 84.38 2.306188 21.203878 -29.453375 1 1593 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 81.25 3.130212 22.465704 -29.214886 1 1594 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 77.73 4.4755964 22.137333 -28.693712 1 1595 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 92.19 -2.5370412 18.481861 -30.966957 1 1596 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 91.41 -3.0475366 17.263165 -31.604017 1 1597 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 91.41 -3.8468635 17.525005 -32.876095 1 1598 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 91.02 -3.8827388 16.660378 -33.758835 1 1599 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 90.62 -3.922657 16.63745 -30.514107 1 1600 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 89.06 -3.2923737 17.093182 -29.238297 1 1601 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 89.45 -2.8626397 18.511793 -29.520077 1 1602 +ATOM N N . SER A0 1 212 . 212 SER A0 N 93.75 -4.4943237 18.690514 -32.99452 1 1603 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 93.75 -5.263329 19.026808 -34.187073 1 1604 +ATOM C C . SER A0 1 212 . 212 SER A0 C 93.36 -4.6197815 20.13895 -35.007736 1 1605 +ATOM O O . SER A0 1 212 . 212 SER A0 O 92.97 -5.210021 20.59702 -35.990067 1 1606 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 93.75 -6.690646 19.456062 -33.79889 1 1607 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 92.97 -6.6771936 20.683432 -33.0846 1 1608 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 94.53 -3.4285827 20.557281 -34.611855 1 1609 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 94.14 -2.7223086 21.658241 -35.26581 1 1610 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 94.53 -3.5913908 22.908754 -35.339455 1 1611 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 93.75 -3.6359937 23.596178 -36.36985 1 1612 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 93.36 -2.2665143 21.25402 -36.67419 1 1613 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 90.62 -1.1604793 20.227694 -36.64122 1 1614 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 87.89 -0.17619525 20.391302 -35.92199 1 1615 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 86.33 -1.3177019 19.15897 -37.420094 1 1616 +ATOM N N . THR A0 1 214 . 214 THR A0 N 95.31 -4.301818 23.197155 -34.24386 1 1617 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 95.31 -5.189706 24.35162 -34.17608 1 1618 +ATOM C C . THR A0 1 214 . 214 THR A0 C 95.31 -4.5747786 25.451653 -33.32204 1 1619 +ATOM O O . THR A0 1 214 . 214 THR A0 O 94.92 -4.1966896 25.211906 -32.174213 1 1620 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 94.53 -6.558716 23.968422 -33.588688 1 1621 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 92.58 -7.1545014 22.950579 -34.391403 1 1622 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 91.8 -7.489036 25.174637 -33.539886 1 1623 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 95.7 -4.470816 26.626068 -33.892265 1 1624 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 95.31 -3.9996912 27.809105 -33.181625 1 1625 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 95.31 -5.0192466 28.917074 -33.384666 1 1626 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 94.53 -5.386384 29.217754 -34.527794 1 1627 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 94.14 -2.6241794 28.259138 -33.68016 1 1628 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 90.23 -1.5163143 27.266748 -33.381477 1 1629 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 87.5 -0.16972116 27.798492 -33.865204 1 1630 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 83.2 0.93144226 26.78895 -33.58746 1 1631 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 79.69 2.247746 27.285343 -34.04857 1 1632 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 96.09 -5.4901314 29.496267 -32.280827 1 1633 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 95.7 -6.5091295 30.54054 -32.349003 1 1634 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 95.7 -6.108595 31.721033 -31.477016 1 1635 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 95.7 -5.670799 31.534523 -30.33652 1 1636 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 94.92 -7.8894773 30.014406 -31.882645 1 1637 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 93.36 -8.931135 31.14161 -31.895487 1 1638 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 92.97 -8.345421 28.86391 -32.756813 1 1639 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 95.7 -6.2355075 32.915253 -32.007027 1 1640 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 95.7 -6.0484467 34.142 -31.246319 1 1641 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 95.31 -7.4056845 34.82693 -31.166325 1 1642 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 95.31 -8.001724 35.144432 -32.201435 1 1643 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 95.31 -5.0353165 35.081337 -31.928387 1 1644 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 94.53 -3.645301 34.474777 -31.974964 1 1645 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 92.19 -2.971977 34.61873 -33.021706 1 1646 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 91.8 -3.2273426 33.869095 -30.969856 1 1647 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 96.09 -7.9009094 35.023834 -29.960308 1 1648 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 96.48 -9.231701 35.58847 -29.770775 1 1649 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 96.09 -9.17058 36.890152 -28.994457 1 1650 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 95.7 -8.709869 36.919174 -27.853659 1 1651 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 95.7 -10.141823 34.603363 -29.048124 1 1652 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 93.75 -11.613312 35.00996 -29.052563 1 1653 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 92.19 -12.185838 34.88215 -30.455687 1 1654 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 89.84 -13.671902 35.21936 -30.485352 1 1655 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 87.5 -14.231102 35.00164 -31.83291 1 1656 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 95.7 -9.656768 37.964607 -29.617466 1 1657 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 95.31 -9.715853 39.258686 -28.955606 1 1658 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 95.7 -10.925847 39.283966 -28.032635 1 1659 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 94.53 -12.024673 38.88472 -28.442566 1 1660 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 94.53 -9.807659 40.40293 -29.980793 1 1661 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 89.84 -9.873113 41.792984 -29.353285 1 1662 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 86.72 -10.113663 42.878532 -30.415222 1 1663 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 82.81 -9.041372 42.932816 -31.420149 1 1664 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 79.69 -7.986014 43.72385 -31.325338 1 1665 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 77.73 -7.050066 43.690536 -32.270584 1 1666 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 78.12 -7.865737 44.555397 -30.292233 1 1667 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 94.53 -10.720579 39.742744 -26.810822 1 1668 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 94.53 -11.814114 39.830994 -25.844986 1 1669 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 93.75 -12.010617 41.298508 -25.476261 1 1670 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 92.19 -11.099277 41.93056 -24.950024 1 1671 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 94.53 -11.500198 38.997143 -24.584494 1 1672 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 93.36 -11.18494 37.533127 -24.948147 1 1673 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 92.58 -12.723593 38.95655 -23.661118 1 1674 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 91.8 -13.205839 41.82499 -25.76315 1 1675 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 91.02 -13.474844 43.23083 -25.489231 1 1676 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 90.62 -14.878958 43.42269 -24.928188 1 1677 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 88.67 -15.73699 42.545345 -25.079357 1 1678 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 89.45 -13.290688 44.069477 -26.762434 1 1679 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 85.55 -14.050217 43.571106 -27.967918 1 1680 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 83.59 -13.594736 44.21705 -29.25087 1 1681 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 80.47 -12.697448 45.08149 -29.216389 1 1682 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 79.69 -14.123214 43.85804 -30.321579 1 1683 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 88.28 -15.140338 44.5862 -24.28961 1 1684 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 87.5 -16.451097 44.831146 -23.691784 1 1685 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 86.72 -17.55132 44.876915 -24.75232 1 1686 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 83.98 -17.297369 45.21695 -25.91021 1 1687 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 85.94 -16.28487 46.203377 -23.009132 1 1688 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 83.59 -14.81657 46.352707 -22.80612 1 1689 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 83.59 -14.190582 45.661648 -23.987152 1 1690 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 81.64 -18.755703 44.568916 -24.344778 1 1691 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 80.08 -19.90775 44.58023 -25.237228 1 1692 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 79.3 -20.280361 46.027847 -25.596096 1 1693 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 75.39 -20.245071 46.90371 -24.733822 1 1694 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 76.95 -21.10949 43.88797 -24.573132 1 1695 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 73.05 -22.355553 43.805573 -25.454254 1 1696 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 69.53 -23.47774 43.06756 -24.709045 1 1697 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 66.8 -24.705454 42.93821 -25.613647 1 1698 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 64.84 -25.799778 42.251293 -24.932327 1 1699 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 65.62 -20.678284 46.34675 -26.74624 1 1700 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 85.94 -8.697565 -3.7283704 4.5674353 1 1701 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 90.23 -8.706586 -2.3983579 3.9697952 1 1702 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 92.97 -8.087089 -1.3678337 4.9078865 1 1703 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 91.8 -7.9098577 -1.6270759 6.0961037 1 1704 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 85.55 -10.143131 -1.9929082 3.6140873 1 1705 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 80.47 -11.063837 -1.900856 4.8051915 1 1706 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 77.34 -12.50471 -1.5869604 4.4340243 1 1707 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 72.66 -13.384294 -1.5826156 5.2959795 1 1708 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 71.09 -12.78443 -1.3011255 3.1779537 1 1709 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 94.14 -7.737829 -0.20211655 4.3631763 1 1710 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 94.53 -7.1243906 0.86348605 5.136034 1 1711 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 94.53 -8.011489 2.1006217 5.14173 1 1712 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 93.75 -8.537216 2.4921885 4.1048203 1 1713 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 94.14 -5.754646 1.2326512 4.560979 1 1714 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 93.36 -4.6660624 0.1632123 4.567107 1 1715 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 92.19 -3.414685 0.70445496 3.8891768 1 1716 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 91.41 -4.353445 -0.3032233 5.9686584 1 1717 +ATOM N N . THR B0 2 3 . 3 THR B0 N 95.7 -8.147665 2.7125492 6.307613 1 1718 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 95.31 -8.910964 3.9494853 6.449831 1 1719 +ATOM C C . THR B0 2 3 . 3 THR B0 C 95.7 -7.935708 5.045148 6.869544 1 1720 +ATOM O O . THR B0 2 3 . 3 THR B0 O 94.92 -7.3680353 4.9916716 7.9639306 1 1721 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 94.92 -10.026465 3.8119297 7.4979844 1 1722 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 91.41 -10.918682 2.7588243 7.1062927 1 1723 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 90.62 -10.806591 5.109766 7.6306186 1 1724 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 95.7 -7.723013 6.022965 5.990387 1 1725 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 95.31 -6.777999 7.1005073 6.228047 1 1726 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 94.92 -7.519947 8.3821945 6.597163 1 1727 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 93.75 -8.5485325 8.700545 5.9964147 1 1728 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 95.31 -5.911872 7.3058863 4.985183 1 1729 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 94.53 -4.7275057 8.224703 5.1982 1 1730 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 95.7 -3.7744346 8.214435 4.00958 1 1731 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 92.19 -3.7595365 7.270873 3.2229717 1 1732 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 92.19 -2.968704 9.265121 3.8813806 1 1733 +ATOM N N . SER B0 2 5 . 5 SER B0 N 94.92 -7.005821 9.103719 7.5854053 1 1734 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 94.53 -7.6635504 10.338586 8.021244 1 1735 +ATOM C C . SER B0 2 5 . 5 SER B0 C 94.53 -6.638921 11.355494 8.498853 1 1736 +ATOM O O . SER B0 2 5 . 5 SER B0 O 93.75 -5.575739 10.98213 9.00809 1 1737 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 93.75 -8.673095 10.035295 9.136503 1 1738 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 90.23 -8.017096 9.507067 10.26787 1 1739 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 93.36 -6.9369736 12.654633 8.351886 1 1740 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 92.97 -8.099606 13.161238 7.6210966 1 1741 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 93.36 -7.87969 13.096904 6.120229 1 1742 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 92.58 -6.7611065 12.828531 5.668599 1 1743 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 92.58 -8.187892 14.61812 8.095453 1 1744 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 91.41 -6.7625365 15.001928 8.304211 1 1745 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 90.62 -6.096276 13.765211 8.861893 1 1746 +ATOM N N . SER B0 2 7 . 7 SER B0 N 91.8 -8.943481 13.308041 5.3524475 1 1747 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 91.8 -8.799007 13.303797 3.901586 1 1748 +ATOM C C . SER B0 2 7 . 7 SER B0 C 92.19 -8.034281 14.534962 3.4276745 1 1749 +ATOM O O . SER B0 2 7 . 7 SER B0 O 91.8 -7.390869 14.503663 2.3732324 1 1750 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 90.62 -10.17099 13.237051 3.2281585 1 1751 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 88.28 -10.976011 14.339371 3.5707116 1 1752 +ATOM N N . SER B0 2 8 . 8 SER B0 N 91.8 -8.085421 15.603526 4.2029777 1 1753 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 91.02 -7.3238573 16.812931 3.9172509 1 1754 +ATOM C C . SER B0 2 8 . 8 SER B0 C 91.8 -7.107557 17.588692 5.2021723 1 1755 +ATOM O O . SER B0 2 8 . 8 SER B0 O 91.02 -7.847369 17.427696 6.170534 1 1756 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 89.45 -8.033178 17.697735 2.878135 1 1757 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 87.11 -9.2417755 18.222551 3.38652 1 1758 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 92.97 -6.071148 18.405954 5.213574 1 1759 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 92.58 -5.794895 19.245895 6.3706913 1 1760 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 92.58 -5.040615 20.485477 5.9196687 1 1761 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 91.8 -4.3590393 20.47538 4.90243 1 1762 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 91.41 -5.0135794 18.481873 7.446241 1 1763 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 89.84 -3.5999858 18.011986 7.135036 1 1764 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 87.5 -3.271651 16.768597 7.9523897 1 1765 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 86.72 -2.5590143 19.108646 7.4039745 1 1766 +ATOM N N . SER B0 2 10 . 10 SER B0 N 92.58 -5.190893 21.567165 6.688524 1 1767 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 92.19 -4.4841557 22.814026 6.4240975 1 1768 +ATOM C C . SER B0 2 10 . 10 SER B0 C 92.58 -3.5043917 23.06668 7.560612 1 1769 +ATOM O O . SER B0 2 10 . 10 SER B0 O 91.8 -3.8400595 22.897533 8.735696 1 1770 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 91.41 -5.4691586 23.976398 6.316931 1 1771 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 89.06 -6.374222 23.78893 5.244854 1 1772 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 93.36 -2.2920744 23.441216 7.2065115 1 1773 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 93.36 -1.2640672 23.684914 8.207986 1 1774 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 92.58 -0.30360866 24.752045 7.7193007 1 1775 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 91.8 -0.25474998 25.069477 6.534337 1 1776 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 92.58 -0.5085025 22.400236 8.525345 1 1777 +ATOM N N . SER B0 2 12 . 12 SER B0 N 91.8 0.46063316 25.31573 8.658586 1 1778 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 91.41 1.4419883 26.341854 8.342248 1 1779 +ATOM C C . SER B0 2 12 . 12 SER B0 C 92.19 2.8504686 25.768898 8.450562 1 1780 +ATOM O O . SER B0 2 12 . 12 SER B0 O 91.8 3.0721521 24.763224 9.126114 1 1781 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 90.62 1.2957186 27.541243 9.28286 1 1782 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 88.67 -0.0042213975 28.117762 9.206429 1 1783 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 91.41 3.7860756 26.418053 7.768202 1 1784 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 91.41 5.1843977 26.008184 7.847453 1 1785 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 92.19 5.619153 26.039797 9.310213 1 1786 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 91.8 5.3351636 27.001188 10.031828 1 1787 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 90.23 6.081628 26.929993 7.0022106 1 1788 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 89.06 7.5548973 26.651844 7.268981 1 1789 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 88.67 5.755878 26.766949 5.5212164 1 1790 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 93.36 6.2774086 24.97176 9.7557335 1 1791 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 93.36 6.710291 24.861822 11.134935 1 1792 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 93.36 5.7762303 24.057245 12.0160675 1 1793 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 92.97 6.1578836 23.657867 13.119991 1 1794 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 94.14 4.537289 23.80278 11.544411 1 1795 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 94.53 3.5626721 23.036808 12.314013 1 1796 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 94.92 3.944838 21.566809 12.387569 1 1797 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 94.53 4.651255 21.04021 11.524556 1 1798 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 93.75 2.167139 23.146059 11.686367 1 1799 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 92.97 1.4743421 24.462875 11.972473 1 1800 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 91.41 2.0477405 25.30058 12.698709 1 1801 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 90.62 0.35222614 24.649235 11.4624405 1 1802 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 95.7 3.4501781 20.889156 13.41338 1 1803 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 95.7 3.5904202 19.444824 13.552073 1 1804 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 95.7 2.3292403 18.837292 12.961637 1 1805 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 94.92 1.21651 19.168571 13.38779 1 1806 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 95.31 3.746078 19.052252 15.01779 1 1807 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 92.19 3.951622 17.569172 15.245417 1 1808 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 91.02 4.1090903 17.263638 16.736296 1 1809 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 88.28 4.409511 15.859488 17.000223 1 1810 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 87.11 5.637381 15.35874 17.075298 1 1811 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 84.77 6.6956162 16.141804 16.891811 1 1812 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 85.55 5.809184 14.068226 17.306023 1 1813 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 95.31 2.5005214 17.950157 11.97592 1 1814 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 95.7 1.3713589 17.342976 11.278937 1 1815 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 96.09 1.3424239 15.839693 11.53679 1 1816 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 96.09 2.3795056 15.173296 11.454359 1 1817 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 94.53 1.4553397 17.611244 9.760854 1 1818 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 92.19 0.41490003 16.804111 9.005579 1 1819 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 91.02 1.2775259 19.095497 9.483444 1 1820 +ATOM N N . THR B0 2 18 . 18 THR B0 N 96.09 0.15351841 15.302791 11.853446 1 1821 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 95.7 -0.012422838 13.880117 12.102503 1 1822 +ATOM C C . THR B0 2 18 . 18 THR B0 C 96.09 -1.1275575 13.33428 11.213221 1 1823 +ATOM O O . THR B0 2 18 . 18 THR B0 O 95.7 -2.2329693 13.864527 11.196983 1 1824 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 94.92 -0.34188285 13.60467 13.580694 1 1825 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 92.19 0.72831404 14.073463 14.402464 1 1826 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 91.02 -0.5380434 12.11224 13.819328 1 1827 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 96.48 -0.80847204 12.268331 10.463559 1 1828 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 96.48 -1.7656318 11.596626 9.5896 1 1829 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 96.48 -1.9510641 10.179138 10.111734 1 1830 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 96.09 -0.9755543 9.517434 10.471674 1 1831 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 96.48 -1.2558758 11.568462 8.133205 1 1832 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 94.92 -1.107366 12.996929 7.606021 1 1833 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 95.7 -2.194728 10.751109 7.2466154 1 1834 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 92.19 -0.34684962 13.095875 6.2916126 1 1835 +ATOM N N . THR B0 2 20 . 20 THR B0 N 96.48 -3.203465 9.709155 10.168268 1 1836 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 96.09 -3.5161946 8.402627 10.73023 1 1837 +ATOM C C . THR B0 2 20 . 20 THR B0 C 96.48 -3.9592478 7.416335 9.652163 1 1838 +ATOM O O . THR B0 2 20 . 20 THR B0 O 96.09 -4.642637 7.7870827 8.69746 1 1839 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 95.7 -4.6197367 8.519199 11.80313 1 1840 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 91.8 -4.1808233 9.400118 12.841995 1 1841 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 90.62 -4.974573 7.1662045 12.3986435 1 1842 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 96.48 -3.5619059 6.1532335 9.818466 1 1843 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 96.48 -3.9595287 5.0692067 8.921465 1 1844 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 96.09 -4.398913 3.897647 9.780127 1 1845 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 95.7 -3.6234918 3.386291 10.585148 1 1846 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 95.7 -2.7878482 4.670799 8.02821 1 1847 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 94.14 -3.1151774 3.3559103 6.865346 1 1848 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 96.09 -5.6688356 3.4860673 9.643474 1 1849 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 95.7 -6.2203665 2.38344 10.423328 1 1850 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 95.7 -6.492716 1.1807263 9.521246 1 1851 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 94.92 -7.153508 1.3065927 8.487658 1 1852 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 94.92 -7.5191274 2.8012528 11.127549 1 1853 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 91.02 -7.3076963 3.8587172 12.193881 1 1854 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 88.67 -8.643993 4.3114014 12.780086 1 1855 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 84.77 -9.434265 3.2041793 13.343971 1 1856 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 82.03 -9.299671 2.7351842 14.5668 1 1857 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 79.69 -10.042236 1.7182366 14.977341 1 1858 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 80.08 -8.417156 3.2854218 15.385072 1 1859 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 94.53 -5.981468 0.0116179455 9.928732 1 1860 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 94.14 -6.187401 -1.2278417 9.191978 1 1861 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 94.53 -7.369859 -1.9880021 9.792114 1 1862 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 93.75 -7.566225 -1.9734311 11.003098 1 1863 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 94.14 -4.9268513 -2.0843418 9.231599 1 1864 +ATOM N N . SER B0 2 24 . 24 SER B0 N 92.97 -8.153657 -2.6442807 8.947002 1 1865 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 92.58 -9.324783 -3.389894 9.40769 1 1866 +ATOM C C . SER B0 2 24 . 24 SER B0 C 92.19 -8.951696 -4.683056 10.125139 1 1867 +ATOM O O . SER B0 2 24 . 24 SER B0 O 90.62 -9.804081 -5.2915006 10.779104 1 1868 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 92.19 -10.248332 -3.700467 8.227041 1 1869 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 90.62 -9.586842 -4.4768877 7.249276 1 1870 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 91.02 -7.6974688 -5.1057076 10.005771 1 1871 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 90.62 -7.204995 -6.284025 10.69785 1 1872 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 91.8 -5.719903 -6.1157866 10.98049 1 1873 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 91.02 -5.0739546 -5.224403 10.422575 1 1874 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 88.67 -7.4467983 -7.55239 9.872434 1 1875 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 85.16 -6.791399 -7.523493 8.493251 1 1876 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 82.03 -7.2066865 -8.703816 7.639056 1 1877 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 78.52 -8.120493 -9.445797 7.997794 1 1878 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 76.56 -6.5429726 -8.890526 6.5073576 1 1879 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 90.62 -5.1725817 -6.957631 11.85128 1 1880 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 89.84 -3.7754521 -6.8690143 12.257809 1 1881 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 89.84 -2.8495154 -7.1230087 11.066324 1 1882 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 89.06 -2.8744595 -8.203852 10.484588 1 1883 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 89.45 -3.4851253 -7.8782697 13.371141 1 1884 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 88.28 -2.135989 -7.6672626 14.033558 1 1885 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 87.11 -1.2688303 -6.984447 13.456089 1 1886 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 85.55 -1.937248 -8.198657 15.1556225 1 1887 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 92.19 -2.0543437 -6.1102047 10.69693 1 1888 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 91.8 -1.095698 -6.2407074 9.597104 1 1889 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 91.02 0.33473933 -6.1520805 10.111849 1 1890 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 89.45 1.2753999 -5.9670777 9.326256 1 1891 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 91.8 -1.3223792 -5.1735535 8.5070305 1 1892 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 91.02 -1.1644273 -3.7687895 9.079159 1 1893 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 89.84 -2.7091074 -5.3587933 7.8791547 1 1894 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 89.06 -1.200501 -2.6663947 8.019211 1 1895 +ATOM N N . SER B0 2 28 . 28 SER B0 N 89.45 0.51329446 -6.2890406 11.424077 1 1896 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 88.67 1.8269027 -6.2683063 12.06717 1 1897 +ATOM C C . SER B0 2 28 . 28 SER B0 C 89.84 2.5939813 -5.00313 11.668371 1 1898 +ATOM O O . SER B0 2 28 . 28 SER B0 O 88.28 2.1223903 -3.9010801 11.923046 1 1899 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 86.72 2.6113582 -7.528923 11.719847 1 1900 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 83.59 1.9404621 -8.681265 12.200096 1 1901 +ATOM N N . SER B0 2 29 . 29 SER B0 N 89.84 3.7311358 -5.1400547 11.007978 1 1902 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 89.84 4.5308924 -3.9960387 10.592493 1 1903 +ATOM C C . SER B0 2 29 . 29 SER B0 C 90.62 4.556693 -3.8193328 9.071512 1 1904 +ATOM O O . SER B0 2 29 . 29 SER B0 O 89.84 5.431549 -3.1230805 8.538563 1 1905 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 87.89 5.963377 -4.139737 11.123047 1 1906 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 85.55 6.5823736 -5.3036304 10.604416 1 1907 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 92.58 3.5939746 -4.423851 8.357142 1 1908 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 92.97 3.5537386 -4.368595 6.894189 1 1909 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 94.14 2.8667097 -3.0919082 6.413497 1 1910 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 93.75 1.8185024 -3.1334088 5.763668 1 1911 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 91.41 2.8462415 -5.5970297 6.3423376 1 1912 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 95.31 3.4565644 -1.9295886 6.7144837 1 1913 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 95.7 2.879813 -0.6533755 6.3275814 1 1914 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 95.31 3.9538052 0.30635443 5.828706 1 1915 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 94.53 5.026951 0.4009794 6.419144 1 1916 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 95.7 2.1212409 -0.01165417 7.4928665 1 1917 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 95.7 1.2655349 1.1971188 7.064424 1 1918 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 94.14 1.687893 2.4506366 7.7834682 1 1919 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 93.75 -0.1974658 0.93105567 7.154284 1 1920 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 96.09 3.6392488 1.0149486 4.7341003 1 1921 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 96.09 4.541606 2.0038962 4.1565495 1 1922 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 96.48 3.7952476 3.3165922 3.9413865 1 1923 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 96.48 2.5629392 3.3386664 3.8867636 1 1924 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 96.09 5.1091957 1.502269 2.8240657 1 1925 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 97.27 4.55012 4.4127054 3.8244224 1 1926 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 96.88 3.9924173 5.732894 3.575243 1 1927 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 96.88 4.6412134 6.336926 2.331893 1 1928 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 96.48 5.8611784 6.228744 2.1374764 1 1929 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 97.27 4.236802 6.6712275 4.765209 1 1930 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 97.27 3.4457984 6.3538938 5.9938755 1 1931 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 96.09 3.8625283 5.634873 7.0744433 1 1932 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 96.48 2.1044974 6.7639046 6.2779493 1 1933 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 95.7 2.8644173 5.5746307 8.01755 1 1934 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 96.09 1.7735512 6.254036 7.5550556 1 1935 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 96.09 1.1473296 7.507495 5.5808544 1 1936 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 96.48 0.5292077 6.4710217 8.149075 1 1937 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 96.48 -0.08831878 7.722169 6.166991 1 1938 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 96.09 -0.38241264 7.2037 7.441799 1 1939 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 97.66 3.8085446 7.015471 1.5007893 1 1940 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 97.27 4.2682757 7.640519 0.26643184 1 1941 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 97.27 3.8327637 9.097853 0.19488916 1 1942 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 96.88 2.8095334 9.484309 0.7622832 1 1943 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 97.27 3.6992624 6.9127064 -0.96175647 1 1944 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 97.27 4.056161 5.4533567 -1.0333867 1 1945 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 95.31 3.266715 4.5001364 -0.39040685 1 1946 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 94.53 5.1739473 5.017292 -1.7267673 1 1947 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 94.53 3.58891 3.154189 -0.43823972 1 1948 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 94.14 5.5027227 3.6710858 -1.7831876 1 1949 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 96.09 4.7088127 2.748082 -1.1356997 1 1950 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 96.09 5.03119 1.4206614 -1.1786238 1 1951 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 97.27 4.6106567 9.876034 -0.5388012 1 1952 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 96.88 4.2902517 11.274546 -0.8084972 1 1953 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 97.27 4.103874 11.435775 -2.311674 1 1954 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 96.88 4.897129 10.909569 -3.092627 1 1955 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 96.88 5.4276905 12.181607 -0.32902855 1 1956 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 95.7 5.213464 13.671267 -0.6389793 1 1957 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 96.88 6.487329 14.4813595 -0.4654522 1 1958 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 90.62 7.41534 14.373043 -1.2648523 1 1959 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 89.45 6.5531874 15.278371 0.59990156 1 1960 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 96.48 3.0305648 12.136625 -2.7150803 1 1961 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 96.48 2.8160343 12.382122 -4.138552 1 1962 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 96.09 2.4854114 13.845276 -4.3941946 1 1963 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 95.31 1.6035925 14.411076 -3.7514362 1 1964 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 96.48 1.6941075 11.498463 -4.694482 1 1965 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 96.09 1.5489856 11.64514 -6.2049026 1 1966 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 96.48 0.41703248 10.825033 -6.7842436 1 1967 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 91.8 -0.6517117 10.718571 -6.186285 1 1968 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 91.41 0.6504722 10.237958 -7.9592757 1 1969 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 94.14 3.2006226 14.438513 -5.321987 1 1970 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 93.75 2.949171 15.810623 -5.7502584 1 1971 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 93.75 2.2877288 15.790636 -7.120784 1 1972 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 92.97 2.4314303 14.81625 -7.8661337 1 1973 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 92.97 4.256936 16.606853 -5.778904 1 1974 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 91.8 4.8651166 16.77339 -4.393501 1 1975 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 90.23 6.0981145 17.666613 -4.42153 1 1976 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 88.67 6.6206555 17.860435 -3.0059829 1 1977 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 86.33 7.8121605 18.7323 -2.9787185 1 1978 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 90.62 1.5167332 16.846977 -7.469799 1 1979 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 89.45 0.78831595 16.856907 -8.74153 1 1980 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 89.84 1.6890634 16.570044 -9.942566 1 1981 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 88.67 2.7659104 17.142185 -10.080446 1 1982 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 87.89 0.21362746 18.28128 -8.807869 1 1983 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 86.33 0.042206436 18.663342 -7.3713956 1 1984 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 87.11 1.240485 18.06214 -6.675514 1 1985 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 90.62 1.2365868 15.640476 -10.797035 1 1986 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 89.84 1.972244 15.294692 -11.99761 1 1987 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 91.02 3.1857235 14.414357 -11.781338 1 1988 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 89.84 3.9315262 14.160002 -12.734291 1 1989 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 95.31 3.3993573 13.954536 -10.547764 1 1990 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 94.92 4.5629625 13.130626 -10.227716 1 1991 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 95.31 4.1497784 11.757053 -9.727405 1 1992 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 94.92 3.0210633 11.570602 -9.240196 1 1993 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 94.14 5.42211 13.816872 -9.158789 1 1994 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 91.02 5.8893805 15.219439 -9.510291 1 1995 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 87.5 6.9643764 15.189654 -10.589638 1 1996 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 83.98 7.527381 16.586353 -10.832882 1 1997 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 80.08 8.576042 16.576206 -11.864532 1 1998 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 96.09 5.0528955 10.795195 -9.845111 1 1999 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 96.09 4.822083 9.473675 -9.290703 1 2000 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 96.09 4.9857283 9.535858 -7.7769046 1 2001 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 96.09 5.6783915 10.415981 -7.2595654 1 2002 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 96.09 5.8126564 8.474499 -9.878006 1 2003 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 97.27 4.3615584 8.616875 -7.049593 1 2004 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 97.27 4.5429535 8.592847 -5.590808 1 2005 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 97.27 6.0063934 8.34309 -5.2325587 1 2006 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 96.88 6.754361 7.726505 -5.995673 1 2007 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 97.27 3.6528432 7.425769 -5.1411734 1 2008 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 96.09 2.6070232 7.329488 -6.204912 1 2009 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 96.88 3.3433418 7.6498117 -7.486467 1 2010 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 97.66 6.4088945 8.836223 -4.0650654 1 2011 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 97.27 7.7657094 8.673969 -3.5625777 1 2012 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 97.66 7.7104864 8.017591 -2.1883135 1 2013 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 97.66 6.9680405 8.471363 -1.310785 1 2014 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 96.88 8.458618 10.040732 -3.463222 1 2015 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 92.58 9.817829 10.01035 -2.7949739 1 2016 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 90.62 10.33808 11.426698 -2.5823197 1 2017 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 85.94 11.641784 11.424218 -1.8036041 1 2018 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 82.81 12.116333 12.802799 -1.5122569 1 2019 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 96.48 8.489426 6.9514503 -1.9988029 1 2020 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 96.88 8.511943 6.24539 -0.7191933 1 2021 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 96.48 9.142773 7.1054206 0.37227467 1 2022 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 96.48 10.217907 7.674069 0.1807949 1 2023 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 96.48 9.293356 4.931777 -0.85209423 1 2024 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 96.09 9.434599 4.093691 0.42706907 1 2025 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 94.14 10.44578 2.9733267 0.19653156 1 2026 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 93.36 8.091193 3.5442371 0.86386466 1 2027 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 96.88 8.4714775 7.2125893 1.5148132 1 2028 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 97.27 8.978927 7.954722 2.658745 1 2029 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 96.88 9.390572 7.005504 3.781684 1 2030 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 96.09 10.505126 7.0932713 4.3015795 1 2031 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 97.27 7.917504 8.90894 3.2138333 1 2032 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 96.88 7.384557 10.018804 2.3167858 1 2033 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 94.92 6.238649 10.742641 3.037301 1 2034 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 94.14 8.4868145 10.997946 1.954752 1 2035 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 96.09 8.474014 6.132287 4.1686926 1 2036 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 96.09 8.637443 5.2290583 5.309102 1 2037 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 96.09 8.23162 3.816585 4.89448 1 2038 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 96.09 7.2498207 3.6382284 4.17397 1 2039 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 96.88 7.757289 5.6691236 6.5010853 1 2040 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 96.09 8.118018 7.089836 6.9665356 1 2041 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 96.48 7.838013 4.672183 7.645542 1 2042 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 92.97 9.406738 7.198313 7.742211 1 2043 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 94.92 8.992336 2.7991161 5.335273 1 2044 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 94.53 8.605316 1.414254 5.12667 1 2045 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 94.92 8.731835 0.65000063 6.4365296 1 2046 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 94.14 9.407397 1.1075883 7.375168 1 2047 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 93.75 9.441 0.75184304 4.025691 1 2048 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 92.97 10.94017 0.72863346 4.2838564 1 2049 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 92.19 11.753258 1.7825229 3.8743312 1 2050 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 91.41 11.538992 -0.34872085 4.92393 1 2051 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 90.23 13.121268 1.7642487 4.099536 1 2052 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 90.23 12.9032755 -0.37835312 5.1507754 1 2053 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 90.62 13.684542 0.6756724 4.737693 1 2054 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 89.84 15.0438385 0.6516049 4.955495 1 2055 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 92.97 8.052078 -0.495153 6.532177 1 2056 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 92.97 8.04819 -1.3093679 7.748774 1 2057 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 93.36 7.7066603 -0.46089068 8.974138 1 2058 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 92.97 8.338236 -0.5546354 10.019629 1 2059 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 91.41 9.394461 -2.0193732 7.935302 1 2060 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 89.84 9.6396265 -3.098933 6.891829 1 2061 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 88.28 8.723774 -3.3890338 6.090402 1 2062 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 86.72 10.756622 -3.652067 6.869035 1 2063 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 94.53 6.671725 0.40080774 8.821796 1 2064 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 94.53 6.108543 1.26564 9.85066 1 2065 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 94.53 6.9673243 2.4862423 10.190205 1 2066 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 93.75 6.482735 3.6107771 10.130308 1 2067 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 93.75 5.7660146 0.5045334 11.152735 1 2068 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 92.19 5.1616693 1.4377722 12.184831 1 2069 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 91.41 4.8197103 -0.65971184 10.861684 1 2070 +ATOM N N . SER B0 2 50 . 50 SER B0 N 93.36 8.257681 2.2574985 10.512911 1 2071 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 92.97 9.073244 3.3478003 11.030006 1 2072 +ATOM C C . SER B0 2 50 . 50 SER B0 C 93.36 10.439873 3.5200086 10.370867 1 2073 +ATOM O O . SER B0 2 50 . 50 SER B0 O 92.58 11.200894 4.398843 10.792593 1 2074 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 91.8 9.26874 3.1764047 12.5448 1 2075 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 90.62 9.948677 1.9618063 12.826004 1 2076 +ATOM N N . SER B0 2 51 . 51 SER B0 N 92.58 10.760825 2.7162097 9.347967 1 2077 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 92.97 12.067398 2.8212984 8.703398 1 2078 +ATOM C C . SER B0 2 51 . 51 SER B0 C 93.75 12.0637045 3.957937 7.678949 1 2079 +ATOM O O . SER B0 2 51 . 51 SER B0 O 94.14 11.274303 3.9523668 6.7336016 1 2080 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 91.02 12.442953 1.5060444 8.032522 1 2081 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 88.67 12.583643 0.46108872 8.977187 1 2082 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 94.53 12.952715 4.9346933 7.8619905 1 2083 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 94.53 13.03723 6.088833 6.9799542 1 2084 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 94.14 13.826747 5.7265086 5.726383 1 2085 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 93.36 14.95013 5.2424593 5.815036 1 2086 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 95.31 13.712742 7.2498274 7.7081485 1 2087 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 94.14 13.625193 8.645042 7.0775347 1 2088 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 92.97 14.542204 9.610895 7.799282 1 2089 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 92.58 12.186525 9.140576 7.081679 1 2090 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 94.92 13.210892 5.9548817 4.5464025 1 2091 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 94.53 13.897266 5.6652265 3.2923117 1 2092 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 94.92 15.1075325 6.579934 3.137116 1 2093 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 94.53 15.092401 7.735535 3.5737247 1 2094 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 94.14 12.930938 5.855308 2.1091094 1 2095 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 92.58 13.581403 5.7237477 0.7252933 1 2096 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 92.19 13.985275 4.312632 0.34962353 1 2097 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 90.23 14.349333 3.511189 1.237694 1 2098 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 89.45 13.957596 3.9968448 -0.8535757 1 2099 +ATOM N N . SER B0 2 54 . 54 SER B0 N 93.36 16.16231 6.073816 2.5184116 1 2100 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 92.19 17.386925 6.832459 2.3105433 1 2101 +ATOM C C . SER B0 2 54 . 54 SER B0 C 92.97 17.087072 8.139481 1.5685608 1 2102 +ATOM O O . SER B0 2 54 . 54 SER B0 O 92.58 16.37532 8.138604 0.56150424 1 2103 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 90.62 18.397766 5.998868 1.522632 1 2104 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 86.72 19.595798 6.712778 1.2989719 1 2105 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 94.53 17.622696 9.236413 2.0620604 1 2106 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 94.14 17.430975 10.530142 1.4428895 1 2107 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 94.92 16.228432 11.307518 1.93434 1 2108 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 94.14 16.09153 12.493047 1.6071184 1 2109 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 95.7 15.34893 10.666255 2.699044 1 2110 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 96.09 14.158459 11.338991 3.2180705 1 2111 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 95.31 14.533917 12.098265 4.4948273 1 2112 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 94.53 15.209597 11.552652 5.3685055 1 2113 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 96.09 13.027629 10.331257 3.5050426 1 2114 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 95.31 11.832414 11.026358 4.1378126 1 2115 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 94.14 12.623126 9.62454 2.2119427 1 2116 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 96.09 14.115383 13.386902 4.6194015 1 2117 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 96.09 14.462883 14.187628 5.7979803 1 2118 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 95.7 13.98244 13.55074 7.1020036 1 2119 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 95.7 12.919649 12.927868 7.150028 1 2120 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 95.31 13.751386 15.523968 5.53998 1 2121 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 94.53 13.630404 15.602279 4.053454 1 2122 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 95.31 13.367769 14.179725 3.62219 1 2123 +ATOM N N . SER B0 2 58 . 58 SER B0 N 95.7 14.762397 13.733267 8.167223 1 2124 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 94.53 14.464825 13.140503 9.4639 1 2125 +ATOM C C . SER B0 2 58 . 58 SER B0 C 95.7 13.226845 13.723068 10.141249 1 2126 +ATOM O O . SER B0 2 58 . 58 SER B0 O 94.92 12.779194 13.17746 11.158352 1 2127 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 93.75 15.670364 13.281795 10.403258 1 2128 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 90.62 16.010246 14.641906 10.59529 1 2129 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 96.09 12.658056 14.809209 9.599863 1 2130 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 95.7 11.435595 15.350775 10.182659 1 2131 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 96.09 10.240677 14.436726 9.931873 1 2132 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 95.7 9.211136 14.581453 10.591427 1 2133 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 95.31 11.148089 16.765709 9.6657505 1 2134 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 94.14 10.854637 16.852848 8.185476 1 2135 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 93.36 10.625111 18.309387 7.79373 1 2136 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 92.58 10.443959 18.479061 6.341549 1 2137 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 92.58 11.464182 18.614748 5.4923763 1 2138 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 91.41 12.723423 18.59681 5.9349976 1 2139 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 91.41 11.222045 18.749876 4.209423 1 2140 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 96.48 10.379833 13.470922 8.988512 1 2141 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 96.88 9.341981 12.473948 8.752086 1 2142 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 96.09 9.580027 11.267843 9.661507 1 2143 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 95.7 10.704707 10.786076 9.771503 1 2144 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 96.48 9.364914 12.003328 7.2942843 1 2145 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 96.88 8.905815 13.034331 6.3069386 1 2146 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 94.14 9.825168 13.854906 5.664352 1 2147 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 93.36 7.560935 13.178141 6.011902 1 2148 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 93.75 9.406764 14.806209 4.745489 1 2149 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 94.14 7.1351767 14.129728 5.0894003 1 2150 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 95.7 8.061197 14.93969 4.454969 1 2151 +ATOM N N . SER B0 2 61 . 61 SER B0 N 96.88 8.520073 10.791063 10.293502 1 2152 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 96.48 8.633272 9.603141 11.132033 1 2153 +ATOM C C . SER B0 2 61 . 61 SER B0 C 96.88 7.322243 8.825812 11.109219 1 2154 +ATOM O O . SER B0 2 61 . 61 SER B0 O 96.48 6.25244 9.401539 10.902639 1 2155 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 96.09 9.001823 9.961697 12.576527 1 2156 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 93.36 7.9691234 10.701036 13.197443 1 2157 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 95.7 7.417398 7.514574 11.264872 1 2158 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 95.7 6.242929 6.660001 11.3025055 1 2159 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 95.7 6.217813 5.8583302 12.5853405 1 2160 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 94.92 7.2583003 5.5499663 13.16631 1 2161 +ATOM N N . SER B0 2 63 . 63 SER B0 N 96.09 5.0169077 5.5236335 13.046158 1 2162 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 95.31 4.8645 4.739292 14.261345 1 2163 +ATOM C C . SER B0 2 63 . 63 SER B0 C 95.7 3.5805092 3.925951 14.1884775 1 2164 +ATOM O O . SER B0 2 63 . 63 SER B0 O 95.31 2.748492 4.1371922 13.300997 1 2165 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 94.92 4.8528104 5.6383944 15.506693 1 2166 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 92.19 3.7239637 6.485195 15.503904 1 2167 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 94.53 3.4285188 2.9964273 15.1270485 1 2168 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 94.14 2.2284222 2.1861105 15.19182 1 2169 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 93.75 2.5331159 0.70309263 15.127796 1 2170 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 92.97 3.6610718 0.29439056 14.873443 1 2171 +ATOM N N . SER B0 2 65 . 65 SER B0 N 92.58 1.5098861 -0.08243804 15.354128 1 2172 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 92.19 1.6289668 -1.5382233 15.304238 1 2173 +ATOM C C . SER B0 2 65 . 65 SER B0 C 92.58 0.2347857 -2.1478035 15.214392 1 2174 +ATOM O O . SER B0 2 65 . 65 SER B0 O 91.8 -0.7230101 -1.6092489 15.77286 1 2175 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 91.02 2.3511744 -2.0672135 16.537046 1 2176 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 87.89 2.465026 -3.4790244 16.510344 1 2177 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 92.58 0.13227572 -3.2727146 14.502009 1 2178 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 92.58 -1.1274959 -3.9880326 14.436193 1 2179 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 92.58 -2.1394825 -3.3770275 13.484894 1 2180 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 92.19 -2.1569905 -3.7005234 12.292292 1 2181 +ATOM N N . THR B0 2 67 . 67 THR B0 N 94.53 -2.9866276 -2.48263 14.0084095 1 2182 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 94.53 -4.0406923 -1.8851032 13.206667 1 2183 +ATOM C C . THR B0 2 67 . 67 THR B0 C 94.92 -4.0100665 -0.36224842 13.154258 1 2184 +ATOM O O . THR B0 2 67 . 67 THR B0 O 94.92 -4.71455 0.23090616 12.32847 1 2185 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 94.14 -5.4360666 -2.3090608 13.717073 1 2186 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 92.58 -5.598859 -1.8808833 15.072231 1 2187 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 91.8 -5.612795 -3.8260362 13.647627 1 2188 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 94.92 -3.2217402 0.287933 14.008965 1 2189 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 94.92 -3.2057462 1.7456993 14.072398 1 2190 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 95.31 -1.8069046 2.2994308 13.806575 1 2191 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 94.92 -0.8578025 1.9519659 14.503325 1 2192 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 94.14 -3.7162728 2.2326236 15.435823 1 2193 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 91.02 -5.1815453 1.8810508 15.662521 1 2194 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 88.67 -5.465563 1.0749273 16.571945 1 2195 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 87.5 -6.034931 2.4055042 14.916378 1 2196 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 96.09 -1.7039936 3.1695037 12.794836 1 2197 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 96.48 -0.41623217 3.7058377 12.373609 1 2198 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 96.48 -0.49662694 5.209333 12.148019 1 2199 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 96.09 -1.5633659 5.7355504 11.831357 1 2200 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 95.7 0.046039656 3.0127206 11.085601 1 2201 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 95.31 0.084806055 1.5204041 11.191276 1 2202 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 93.36 -1.0430496 0.757614 10.90847 1 2203 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 92.97 1.237422 0.86977947 11.603983 1 2204 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 92.19 -1.0247458 -0.6238325 11.033842 1 2205 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 92.19 1.2649133 -0.5088304 11.729616 1 2206 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 93.36 0.13344626 -1.2556129 11.441757 1 2207 +ATOM N N . THR B0 2 70 . 70 THR B0 N 96.48 0.6395481 5.8940525 12.310675 1 2208 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 96.48 0.66978425 7.3327208 12.092606 1 2209 +ATOM C C . THR B0 2 70 . 70 THR B0 C 96.48 1.9364146 7.750462 11.345543 1 2210 +ATOM O O . THR B0 2 70 . 70 THR B0 O 96.09 2.9917593 7.13878 11.497219 1 2211 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 96.09 0.60617244 8.124684 13.417095 1 2212 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 92.58 1.7397338 7.7987323 14.222578 1 2213 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 91.8 -0.6758942 7.8338842 14.175402 1 2214 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 96.88 1.785713 8.796536 10.526766 1 2215 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 96.88 2.9030056 9.470392 9.885959 1 2216 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 96.48 2.9667025 10.857065 10.504415 1 2217 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 96.48 1.9375515 11.546188 10.587806 1 2218 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 97.27 2.6933608 9.595684 8.371645 1 2219 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 96.48 3.736249 10.442877 7.62288 1 2220 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 95.31 3.2545805 10.771084 6.211539 1 2221 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 94.53 5.08613 9.7313595 7.5819263 1 2222 +ATOM N N . THR B0 2 72 . 72 THR B0 N 96.88 4.1418295 11.25404 10.968956 1 2223 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 96.88 4.29645 12.560643 11.597023 1 2224 +ATOM C C . THR B0 2 72 . 72 THR B0 C 96.88 5.3672233 13.3787365 10.876362 1 2225 +ATOM O O . THR B0 2 72 . 72 THR B0 O 96.48 6.4328647 12.859262 10.546502 1 2226 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 96.09 4.678515 12.420372 13.082691 1 2227 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 93.36 3.6427507 11.724662 13.784447 1 2228 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 93.36 4.88236 13.788347 13.731385 1 2229 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 96.48 5.0465746 14.640003 10.592962 1 2230 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 96.48 6.022809 15.597701 10.080706 1 2231 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 96.09 6.225441 16.584795 11.230993 1 2232 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 95.7 5.3147297 17.355244 11.554592 1 2233 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 96.09 5.519644 16.33181 8.819779 1 2234 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 94.92 4.977193 15.327584 7.794464 1 2235 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 94.53 6.6540694 17.162544 8.217923 1 2236 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 93.75 4.3492374 15.978579 6.5589542 1 2237 +ATOM N N . SER B0 2 74 . 74 SER B0 N 96.48 7.389402 16.524261 11.862053 1 2238 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 95.7 7.638645 17.294073 13.080925 1 2239 +ATOM C C . SER B0 2 74 . 74 SER B0 C 95.7 7.64803 18.804522 12.870644 1 2240 +ATOM O O . SER B0 2 74 . 74 SER B0 O 94.53 7.247046 19.554861 13.767839 1 2241 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 94.92 8.968483 16.868996 13.7053 1 2242 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 93.36 10.041949 17.1496 12.828387 1 2243 +ATOM N N . SER B0 2 75 . 75 SER B0 N 95.31 8.0903225 19.264727 11.7102585 1 2244 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 94.92 8.1490555 20.693605 11.394127 1 2245 +ATOM C C . SER B0 2 75 . 75 SER B0 C 95.31 7.926542 20.864403 9.889882 1 2246 +ATOM O O . SER B0 2 75 . 75 SER B0 O 94.53 8.856073 20.726936 9.100457 1 2247 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 94.53 9.494458 21.29208 11.81706 1 2248 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 91.02 9.526328 22.698267 11.587564 1 2249 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 94.14 6.6761227 21.150684 9.516511 1 2250 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 94.14 6.2790766 21.220306 8.109359 1 2251 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 94.14 7.0984483 22.257465 7.334753 1 2252 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 93.75 7.2827244 23.3897 7.7935123 1 2253 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 93.75 4.790559 21.553522 8.01626 1 2254 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 92.97 4.0742283 21.217989 6.708471 1 2255 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 91.8 2.6712189 21.811388 6.7436743 1 2256 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 91.02 4.0188985 19.712288 6.499344 1 2257 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 92.97 7.5797825 21.844862 6.1619563 1 2258 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 92.58 8.356526 22.713121 5.284382 1 2259 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 92.19 7.5721684 22.975353 3.9998322 1 2260 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 91.41 6.646448 22.219786 3.6680663 1 2261 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 92.58 9.7140255 22.07275 4.9610033 1 2262 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 92.19 10.584683 21.825243 6.1900377 1 2263 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 91.02 10.878235 23.103218 6.95337 1 2264 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 88.67 11.396696 24.070107 6.409233 1 2265 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 87.89 10.51576 23.120464 8.235162 1 2266 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 90.23 7.910253 24.046581 3.25204 1 2267 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 89.06 7.165266 24.368288 2.025665 1 2268 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 89.84 7.081322 23.208286 1.0412583 1 2269 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 89.45 6.051197 23.028418 0.38957065 1 2270 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 87.89 7.954585 25.546001 1.4464107 1 2271 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 86.33 8.5390835 26.218945 2.6405132 1 2272 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 86.72 8.91818 25.082344 3.5522857 1 2273 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 92.19 8.14209 22.398735 0.9290466 1 2274 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 91.41 8.155109 21.287365 -0.019411922 1 2275 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 91.8 7.3345623 20.092834 0.45641303 1 2276 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 91.02 7.206183 19.105515 -0.27377456 1 2277 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 90.23 9.600206 20.844368 -0.30704027 1 2278 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 87.5 10.362884 20.327278 0.91352105 1 2279 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 85.16 11.19701 21.396042 1.5822109 1 2280 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 82.81 10.78356 22.586151 1.5892087 1 2281 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 82.03 12.268844 21.059145 2.1299653 1 2282 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 93.75 6.7770853 20.145239 1.667984 1 2283 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 93.75 6.008415 19.039425 2.2202656 1 2284 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 93.36 4.517821 19.102722 1.887007 1 2285 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 92.19 3.7854037 18.170876 2.2185984 1 2286 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 94.14 6.173475 18.97874 3.745385 1 2287 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 94.14 7.6153455 18.77932 4.166604 1 2288 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 92.97 8.418173 18.277733 3.3452804 1 2289 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 92.19 7.945552 19.131853 5.3151636 1 2290 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 92.97 4.059802 20.179644 1.2484232 1 2291 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 92.19 2.6580691 20.266272 0.874794 1 2292 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 92.58 2.4273765 19.366032 -0.3386739 1 2293 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 91.41 2.951915 19.612358 -1.4141979 1 2294 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 90.62 2.2641225 21.721817 0.60048366 1 2295 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 88.28 2.2985635 22.565453 1.8441849 1 2296 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 87.11 3.3841944 23.386848 2.1162994 1 2297 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 85.55 1.2514269 22.506166 2.7485394 1 2298 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 83.98 3.4237726 24.135256 3.2797627 1 2299 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 83.59 1.2866226 23.257969 3.9142718 1 2300 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 83.59 2.3749824 24.077177 4.184681 1 2301 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 94.14 1.6584892 18.302116 -0.09964394 1 2302 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 94.14 1.4677552 17.229748 -1.0760689 1 2303 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 94.53 0.37512213 16.305794 -0.55455196 1 2304 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 94.14 -0.24173251 16.578901 0.4683478 1 2305 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 93.75 2.7771754 16.45578 -1.2702538 1 2306 +ATOM N N . THR B0 2 83 . 83 THR B0 N 96.09 0.14613333 15.19568 -1.2780212 1 2307 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 95.7 -0.7984229 14.18683 -0.82544756 1 2308 +ATOM C C . THR B0 2 83 . 83 THR B0 C 96.48 -0.0062368875 12.986426 -0.31854445 1 2309 +ATOM O O . THR B0 2 83 . 83 THR B0 O 96.48 0.9708513 12.564594 -0.940979 1 2310 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 95.31 -1.7453787 13.757154 -1.9649043 1 2311 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 93.75 -2.4859061 14.910557 -2.4137325 1 2312 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 93.75 -2.7343469 12.689528 -1.4918387 1 2313 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 96.88 -0.41616994 12.441139 0.82698864 1 2314 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 96.88 0.26962954 11.324057 1.4619828 1 2315 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 96.88 -0.6257752 10.091267 1.4983493 1 2316 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 96.48 -1.8227102 10.193642 1.7833695 1 2317 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 97.27 0.71694875 11.709114 2.879625 1 2318 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 96.88 1.73931 12.820822 2.8800435 1 2319 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 94.53 1.3497933 14.155063 2.799725 1 2320 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 94.14 3.09867 12.536844 2.9207778 1 2321 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 94.53 2.28728 15.176653 2.7582889 1 2322 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 94.53 4.043326 13.550968 2.8855839 1 2323 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 96.09 3.6326432 14.869819 2.8025103 1 2324 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 96.48 4.561858 15.87524 2.7530293 1 2325 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 97.27 -0.031320248 8.921106 1.1948116 1 2326 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 97.27 -0.760165 7.6585507 1.1798174 1 2327 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 97.27 -0.07670517 6.614458 2.0527546 1 2328 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 97.27 1.1499374 6.513111 2.0621548 1 2329 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 97.27 -0.83068323 7.083208 -0.2418207 1 2330 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 96.88 -1.621937 7.897897 -1.2348835 1 2331 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 94.92 -0.9970304 8.838574 -2.0523946 1 2332 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 94.53 -2.9923418 7.7162776 -1.3749673 1 2333 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 94.53 -1.7196074 9.58202 -2.9693336 1 2334 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 94.14 -3.7221622 8.458263 -2.2918663 1 2335 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 95.31 -3.0811038 9.385478 -3.089713 1 2336 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 94.92 -3.793343 10.117043 -3.9945595 1 2337 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 97.27 -0.8756623 5.8358517 2.7866902 1 2338 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 97.27 -0.34706375 4.6639624 3.472886 1 2339 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 97.27 -0.6442957 3.4502769 2.6003163 1 2340 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 96.88 -1.5064408 3.492827 1.7180237 1 2341 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 96.48 -0.96839905 4.491849 4.8718185 1 2342 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 95.7 -2.7501493 4.338026 4.9168262 1 2343 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 96.88 0.109703735 2.3738198 2.7990818 1 2344 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 96.88 -0.038386635 1.1635756 1.9950074 1 2345 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 96.88 0.32062525 -0.05488569 2.8327734 1 2346 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 96.48 1.3127947 -0.033231232 3.55916 1 2347 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 96.48 0.8581636 1.2275188 0.7588371 1 2348 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 95.31 0.9366735 -0.08630969 -0.036225095 1 2349 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 96.09 2.2922425 -0.7633519 0.1037204 1 2350 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 90.62 3.308957 -0.20714366 -0.297767 1 2351 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 91.02 2.3111224 -1.9539568 0.6966783 1 2352 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 95.7 -0.5241989 -1.0969675 2.7539248 1 2353 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 95.31 -0.22972953 -2.3362184 3.4493768 1 2354 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 95.7 -0.072270736 -3.4682822 2.4355328 1 2355 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 94.92 -0.67563665 -3.4408948 1.365885 1 2356 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 94.53 -1.3254957 -2.6853774 4.4680066 1 2357 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 92.58 -2.6876183 -3.0311573 3.8773558 1 2358 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 91.8 -2.83674 -4.505767 3.5099168 1 2359 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 89.06 -2.086406 -5.361803 3.9731321 1 2360 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 87.5 -3.8066974 -4.8016405 2.648552 1 2361 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 92.58 0.7708706 -4.4508386 2.780508 1 2362 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 92.19 0.9683761 -5.652925 1.9715352 1 2363 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 91.8 0.7889677 -6.855738 2.8911543 1 2364 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 90.62 1.3984101 -6.9049015 3.9619126 1 2365 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 91.41 2.3685684 -5.6711087 1.3628372 1 2366 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 90.62 2.717994 -6.962776 0.68048644 1 2367 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 89.06 3.7059553 -7.7882757 1.1896166 1 2368 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 88.28 2.0567403 -7.3451405 -0.47414047 1 2369 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 86.72 4.026933 -8.98192 0.56229365 1 2370 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 86.33 2.3737247 -8.536694 -1.1077474 1 2371 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 86.72 3.3633904 -9.362886 -0.58825237 1 2372 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 89.45 -0.07331644 -7.787886 2.5118606 1 2373 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 89.06 -0.39132366 -8.922534 3.3709707 1 2374 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 89.06 -0.12615164 -10.272896 2.699741 1 2375 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 87.89 -0.92485803 -11.206826 2.8292847 1 2376 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 87.5 -1.838627 -8.827543 3.8507447 1 2377 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 84.77 -2.092555 -9.666916 5.0898023 1 2378 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 82.42 -1.1757655 -9.934324 5.861578 1 2379 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 80.86 -3.338512 -10.062885 5.294653 1 2380 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 87.11 0.9847925 -10.400324 1.9976735 1 2381 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 86.33 1.5071342 -11.681094 1.5506074 1 2382 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 86.72 0.7306196 -12.489811 0.5310742 1 2383 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 85.16 0.15266943 -11.937313 -0.40859458 1 2384 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 86.72 0.7308171 -13.847763 0.733931 1 2385 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 86.33 0.12303186 -14.789808 -0.20102102 1 2386 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 86.72 -1.1235278 -15.426319 0.40549776 1 2387 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 85.16 -1.051147 -15.986353 1.5093888 1 2388 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 85.16 1.1258221 -15.882848 -0.57134116 1 2389 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 83.59 2.3331397 -15.3845415 -1.3253226 1 2390 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 81.64 3.4780748 -14.978409 -0.6576216 1 2391 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 80.47 2.3355587 -15.318119 -2.7189286 1 2392 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 79.3 4.5856137 -14.517813 -1.3413421 1 2393 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 78.52 3.4295237 -14.858648 -3.4152508 1 2394 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 78.52 4.5610857 -14.462214 -2.7290747 1 2395 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 78.12 5.6573434 -14.001746 -3.4150052 1 2396 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 86.33 -2.27667 -15.416129 -0.3171482 1 2397 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 86.33 -2.445755 -14.686684 -1.5767434 1 2398 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 87.5 -2.290866 -13.186167 -1.3568892 1 2399 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 86.33 -2.6300375 -12.664832 -0.2871452 1 2400 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 85.16 -3.8842325 -15.034932 -1.9917288 1 2401 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 83.2 -4.555436 -15.340794 -0.699784 1 2402 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 82.81 -3.5033998 -16.020275 0.15012896 1 2403 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 88.67 -1.7237883 -12.497112 -2.3704853 1 2404 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 88.67 -1.4176447 -11.076683 -2.228643 1 2405 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 88.67 -2.6374578 -10.251385 -1.8310192 1 2406 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 87.11 -3.7097535 -10.377258 -2.431162 1 2407 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 87.89 -0.81305385 -10.52318 -3.5230873 1 2408 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 87.89 0.6375667 -10.861397 -3.698608 1 2409 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 85.55 1.064259 -12.137707 -4.0168047 1 2410 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 84.77 1.7510142 -10.104048 -3.6113307 1 2411 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 84.38 2.3913302 -12.135511 -4.10248 1 2412 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 84.38 2.826776 -10.92058 -3.863286 1 2413 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 91.02 -2.4592776 -9.438707 -0.82498235 1 2414 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 91.41 -3.4553924 -8.487928 -0.36186224 1 2415 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 92.97 -2.7365289 -7.1669416 -0.13454062 1 2416 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 91.8 -2.0159183 -7.0035715 0.8542409 1 2417 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 89.45 -4.1252193 -8.95486 0.9350903 1 2418 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 86.33 -4.96941 -10.225489 0.8042841 1 2419 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 83.59 -6.2886224 -9.953831 0.10494324 1 2420 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 80.08 -7.2099814 -11.075478 0.19982384 1 2421 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 77.73 -7.2179193 -12.112106 -0.62541926 1 2422 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 75.0 -6.3292727 -12.184406 -1.6198579 1 2423 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 75.0 -8.073917 -13.085474 -0.46945304 1 2424 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 94.14 -2.8975391 -6.23453 -1.0632116 1 2425 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 94.53 -2.227588 -4.9456444 -0.9903436 1 2426 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 94.53 -3.2490652 -3.8419147 -1.2253146 1 2427 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 93.75 -3.9926476 -3.888626 -2.2085314 1 2428 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 94.14 -1.1050051 -4.873114 -2.0384834 1 2429 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 92.97 -0.128386 -3.6939864 -2.0083396 1 2430 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 91.41 1.1785498 -4.0841722 -2.6853473 1 2431 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 91.02 -0.70861626 -2.445846 -2.6647158 1 2432 +ATOM N N . THR B0 2 97 . 97 THR B0 N 95.7 -3.3024733 -2.8958485 -0.322059 1 2433 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 95.7 -4.2299414 -1.779089 -0.46420798 1 2434 +ATOM C C . THR B0 2 97 . 97 THR B0 C 96.09 -3.566472 -0.4737783 -0.043810956 1 2435 +ATOM O O . THR B0 2 97 . 97 THR B0 O 96.48 -2.6472898 -0.4662795 0.77936375 1 2436 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 94.92 -5.512308 -1.971603 0.38765004 1 2437 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 90.62 -5.1525936 -2.2096186 1.7567677 1 2438 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 89.84 -6.3463445 -3.1410336 -0.13276537 1 2439 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 96.48 -4.044636 0.62207055 -0.6453943 1 2440 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 96.88 -3.616301 1.9629357 -0.26973754 1 2441 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 96.48 -4.727228 2.6482778 0.51744384 1 2442 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 96.09 -5.9080744 2.3429627 0.32517767 1 2443 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 96.48 -3.3150697 2.810104 -1.5112429 1 2444 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 96.88 -2.096868 2.3937275 -2.2782085 1 2445 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 94.53 -2.2044535 1.5394564 -3.3627224 1 2446 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 94.14 -0.84857595 2.8830154 -1.9288161 1 2447 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 94.53 -1.0782254 1.1631749 -4.076841 1 2448 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 94.53 0.28087136 2.513607 -2.6391206 1 2449 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 96.09 0.16429122 1.6546069 -3.7162132 1 2450 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 96.09 -4.3336535 3.5791435 1.3836541 1 2451 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 96.48 -5.3215904 4.41475 2.04177 1 2452 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 96.09 -5.8607855 5.4232254 1.0356555 1 2453 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 96.09 -5.331872 5.5737047 -0.068099335 1 2454 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 96.09 -6.905828 6.1371756 1.4001858 1 2455 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 95.7 -7.5360327 7.1004176 0.5125886 1 2456 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 95.7 -6.74979 8.367623 0.26701984 1 2457 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 95.7 -7.0849676 9.142553 -0.62999755 1 2458 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 95.31 -5.706058 8.588567 1.0386498 1 2459 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 95.7 -4.8666496 9.768217 0.86998975 1 2460 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 95.7 -5.2251287 10.908525 1.8061737 1 2461 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 95.31 -6.371562 11.030404 2.2473035 1 2462 +ATOM N N . THR B0 2 102 . 102 THR B0 N 94.92 -4.219583 11.724722 2.1169167 1 2463 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 95.31 -4.3986063 12.934042 2.9120414 1 2464 +ATOM C C . THR B0 2 102 . 102 THR B0 C 94.92 -3.69354 14.0735655 2.1769927 1 2465 +ATOM O O . THR B0 2 102 . 102 THR B0 O 94.53 -2.4819016 14.020905 1.9603484 1 2466 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 95.7 -3.7951481 12.7941475 4.320605 1 2467 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 94.53 -4.499848 11.789579 5.056272 1 2468 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 94.53 -3.8732696 14.122738 5.07782 1 2469 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 94.53 -4.461574 15.093219 1.780603 1 2470 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 93.75 -3.894771 16.240116 1.0891061 1 2471 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 94.53 -3.5460382 17.318903 2.108725 1 2472 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 94.14 -4.420001 17.784096 2.848822 1 2473 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 92.58 -4.8759627 16.785429 0.047036156 1 2474 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 89.45 -4.274662 17.858612 -0.84633696 1 2475 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 86.72 -5.2377105 18.244114 -1.9676452 1 2476 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 82.81 -4.5976286 19.238922 -2.9207006 1 2477 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 79.3 -5.492961 19.578772 -4.0380545 1 2478 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 94.14 -2.2666945 17.680832 2.1588917 1 2479 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 94.14 -1.8043323 18.70943 3.0869315 1 2480 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 93.36 -1.6696348 20.00806 2.3081934 1 2481 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 92.58 -0.86754334 20.103737 1.3792481 1 2482 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 94.14 -0.45922908 18.33304 3.7334907 1 2483 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 93.36 0.0021200741 19.433197 4.679121 1 2484 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 92.97 -0.5876516 16.99992 4.4716663 1 2485 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 93.36 -2.4612389 21.012545 2.6943347 1 2486 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 92.97 -2.4423008 22.300772 2.001131 1 2487 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 92.97 -1.986203 23.415806 2.9349713 1 2488 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 92.19 -1.9224253 23.235447 4.155822 1 2489 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 91.8 -3.8339462 22.638844 1.4320762 1 2490 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 89.84 -4.880374 22.90287 2.510562 1 2491 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 87.89 -5.941564 23.914125 2.0983877 1 2492 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 85.94 -6.183333 24.10225 0.88785076 1 2493 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 85.55 -6.548904 24.53553 2.998396 1 2494 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 92.97 -1.6602867 24.5654 2.3508358 1 2495 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 92.97 -1.1759931 25.703913 3.11827 1 2496 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 92.97 -2.3464427 26.438189 3.7741094 1 2497 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 92.58 -3.3340883 26.744663 3.118899 1 2498 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 91.41 -0.39108002 26.684185 2.2199552 1 2499 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 88.67 0.7552006 25.953197 1.5195777 1 2500 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 87.5 0.121812046 27.868416 3.0403948 1 2501 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 83.98 1.4150548 26.761843 0.4069595 1 2502 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 92.97 -2.2093425 26.724092 5.0597086 1 2503 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 92.58 -3.2348113 27.464378 5.791512 1 2504 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 92.58 -2.944045 28.957287 5.6942186 1 2505 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 91.41 -1.7982979 29.387474 5.8638363 1 2506 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 91.8 -3.2772202 27.032085 7.261218 1 2507 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 89.84 -4.4073524 27.67167 8.061047 1 2508 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 87.89 -4.4432187 27.132812 9.47995 1 2509 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 85.16 -5.614086 27.70182 10.265703 1 2510 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 82.42 -5.6780167 27.14093 11.628555 1 2511 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 92.97 -3.9657366 29.737923 5.3940964 1 2512 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 92.58 -3.849349 31.188253 5.320938 1 2513 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 92.58 -5.124158 31.810682 5.8538947 1 2514 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 91.41 -6.051792 31.087723 6.218557 1 2515 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 91.8 -3.5852149 31.656958 3.8854575 1 2516 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 91.02 -4.643778 31.235994 2.861065 1 2517 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 90.62 -4.7505827 32.23898 1.730274 1 2518 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 89.45 -5.3810453 33.477077 2.2038937 1 2519 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 89.45 -5.216711 34.668663 1.6339731 1 2520 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 87.5 -4.4601116 34.79361 0.56052464 1 2521 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 88.28 -5.8221674 35.729298 2.159268 1 2522 +ATOM N N . THR B0 2 109 . 109 THR B0 N 93.36 -5.1959023 33.13595 5.901218 1 2523 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 92.97 -6.386338 33.824783 6.384093 1 2524 +ATOM C C . THR B0 2 109 . 109 THR B0 C 93.75 -7.5282345 33.66571 5.388232 1 2525 +ATOM O O . THR B0 2 109 . 109 THR B0 O 93.36 -7.303995 33.489704 4.1856604 1 2526 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 92.58 -6.1130013 35.322807 6.607877 1 2527 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 90.62 -5.6721897 35.90852 5.3860707 1 2528 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 89.06 -5.0500164 35.531364 7.6897535 1 2529 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 94.92 -8.753059 33.7147 5.907073 1 2530 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 94.92 -9.933273 33.569645 5.0602865 1 2531 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 94.53 -9.979368 34.718777 4.0488744 1 2532 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 94.14 -9.726492 35.8742 4.3988037 1 2533 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 94.53 -11.226136 33.55153 5.9071608 1 2534 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 93.36 -12.459485 33.55092 5.009378 1 2535 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 92.19 -11.238255 32.33542 6.825923 1 2536 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 95.7 -10.279083 34.387913 2.8039422 1 2537 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 95.31 -10.386506 35.381615 1.7389948 1 2538 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 95.7 -11.657152 35.10343 0.94220436 1 2539 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 95.31 -11.825229 34.010605 0.4032473 1 2540 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 94.92 -9.165898 35.338787 0.8259071 1 2541 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 95.7 -12.55283 36.088596 0.88694763 1 2542 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 95.31 -13.800512 35.934395 0.15203904 1 2543 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 95.7 -13.552467 35.99482 -1.3573883 1 2544 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 95.31 -12.665276 36.7221 -1.8123236 1 2545 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 95.7 -14.788924 37.024254 0.55486965 1 2546 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 95.31 -14.325884 35.226078 -2.1438556 1 2547 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 95.31 -14.126383 35.254982 -3.5973701 1 2548 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 95.31 -14.720292 36.508583 -4.232381 1 2549 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 94.53 -15.721024 37.04577 -3.7539673 1 2550 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 95.7 -14.873558 34.0036 -4.0730534 1 2551 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 94.92 -15.984293 33.854393 -3.0884953 1 2552 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 94.53 -15.376986 34.256775 -1.756948 1 2553 +ATOM N N . SER B0 2 114 . 114 SER B0 N 95.31 -14.0737915 36.956074 -5.3004217 1 2554 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 94.53 -14.664436 37.986244 -6.154208 1 2555 +ATOM C C . SER B0 2 114 . 114 SER B0 C 95.31 -15.459902 37.199978 -7.1837435 1 2556 +ATOM O O . SER B0 2 114 . 114 SER B0 O 95.31 -14.916259 36.273014 -7.811742 1 2557 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 93.75 -13.5925045 38.834778 -6.83342 1 2558 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 90.23 -12.819105 39.552254 -5.870701 1 2559 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 94.14 -16.748577 37.513588 -7.3467507 1 2560 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 94.14 -17.629316 36.73155 -8.207632 1 2561 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 93.36 -17.974554 37.49969 -9.487572 1 2562 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 92.58 -18.331018 38.680298 -9.439453 1 2563 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 94.92 -18.925812 36.334003 -7.460215 1 2564 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 93.36 -19.786446 35.414738 -8.31963 1 2565 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 92.58 -18.583458 35.65821 -6.131664 1 2566 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 95.31 -17.872171 36.792343 -10.634032 1 2567 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 95.31 -18.190144 37.364666 -11.937658 1 2568 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 95.7 -19.036613 36.372307 -12.71871 1 2569 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 95.7 -18.850628 35.156746 -12.58556 1 2570 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 94.53 -16.910486 37.678402 -12.7260685 1 2571 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 92.58 -15.933495 38.55363 -11.992975 1 2572 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 90.62 -14.941737 37.996582 -11.201414 1 2573 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 89.84 -16.006332 39.930244 -12.105981 1 2574 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 87.89 -14.036962 38.806084 -10.520162 1 2575 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 87.5 -15.106712 40.742752 -11.431309 1 2576 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 87.89 -14.12113 40.174328 -10.636121 1 2577 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 94.53 -19.969505 36.88549 -13.552914 1 2578 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 94.53 -20.769772 36.00301 -14.396277 1 2579 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 94.14 -20.631441 36.458405 -15.849436 1 2580 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 93.36 -20.571186 37.656124 -16.136211 1 2581 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 94.53 -22.26001 35.98506 -13.962501 1 2582 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 92.97 -23.03127 34.899166 -14.716443 1 2583 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 92.58 -22.903898 37.362076 -14.140074 1 2584 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 92.19 -24.42806 34.62227 -14.150382 1 2585 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 95.7 -20.540195 35.482975 -16.765057 1 2586 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 95.7 -20.359407 35.777958 -18.185692 1 2587 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 95.7 -21.470446 35.1313 -19.00896 1 2588 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 95.31 -21.630077 33.904987 -18.96593 1 2589 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 95.31 -19.003445 35.2635 -18.67797 1 2590 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 94.92 -17.822601 35.838608 -17.954596 1 2591 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 91.41 -17.274288 35.182823 -16.863655 1 2592 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 90.62 -17.266165 37.031094 -18.373478 1 2593 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 91.02 -16.1847 35.71959 -16.197826 1 2594 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 91.41 -16.176493 37.568832 -17.707735 1 2595 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 93.36 -15.636763 36.90902 -16.616604 1 2596 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 95.31 -22.254177 35.930653 -19.77886 1 2597 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 94.92 -23.27956 35.34667 -20.649626 1 2598 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 95.31 -22.624052 34.615364 -21.819536 1 2599 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 95.31 -21.445189 34.84499 -22.111729 1 2600 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 94.53 -24.068539 36.57012 -21.144337 1 2601 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 92.97 -23.679764 37.69158 -20.229145 1 2602 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 93.75 -22.267517 37.377098 -19.813007 1 2603 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 95.31 -23.370327 33.71734 -22.494267 1 2604 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 95.31 -22.78732 33.063797 -23.671143 1 2605 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 94.92 -22.530018 34.10081 -24.760645 1 2606 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 94.53 -23.265463 35.082825 -24.884466 1 2607 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 95.31 -23.872616 32.060257 -24.091988 1 2608 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 94.53 -25.137863 32.60424 -23.51843 1 2609 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 94.53 -24.737408 33.25138 -22.223293 1 2610 +ATOM N N . SER B0 2 121 . 121 SER B0 N 94.92 -21.474842 33.875595 -25.53169 1 2611 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 94.14 -21.147354 34.80301 -26.608747 1 2612 +ATOM C C . SER B0 2 121 . 121 SER B0 C 94.53 -22.087208 34.601974 -27.791588 1 2613 +ATOM O O . SER B0 2 121 . 121 SER B0 O 93.75 -22.653395 33.52121 -27.980131 1 2614 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 94.14 -19.700619 34.586388 -27.065626 1 2615 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 92.58 -19.554405 33.296368 -27.645275 1 2616 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 94.14 -22.254944 35.652237 -28.570744 1 2617 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 93.36 -23.073692 35.53531 -29.777699 1 2618 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 94.14 -22.477215 34.510674 -30.728855 1 2619 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 93.75 -23.20862 33.80293 -31.418928 1 2620 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 92.19 -23.186266 36.898705 -30.47506 1 2621 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 87.89 -24.05387 37.88423 -29.713104 1 2622 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 85.55 -24.950096 37.43585 -28.97668 1 2623 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 83.98 -23.833153 39.102707 -29.854462 1 2624 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 94.92 -21.141983 34.42315 -30.738607 1 2625 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 94.53 -20.461277 33.45175 -31.59533 1 2626 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 94.53 -20.866253 32.03087 -31.24173 1 2627 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 94.14 -21.116817 31.200977 -32.122086 1 2628 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 93.75 -18.937183 33.60099 -31.479626 1 2629 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 89.84 -18.406073 34.950123 -31.983744 1 2630 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 86.72 -18.145142 35.937492 -30.886618 1 2631 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 84.38 -19.080395 36.24835 -30.105854 1 2632 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 83.2 -17.000881 36.426743 -30.788074 1 2633 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 95.7 -20.939318 31.721775 -29.935383 1 2634 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 95.31 -21.302189 30.372307 -29.519121 1 2635 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 94.92 -22.766216 30.080854 -29.823498 1 2636 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 94.53 -23.098064 28.97543 -30.246746 1 2637 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 94.92 -21.04012 30.161283 -28.024967 1 2638 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 94.14 -21.329668 28.723173 -27.602535 1 2639 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 94.53 -21.25859 28.48623 -26.117535 1 2640 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 91.02 -21.453516 29.403328 -25.329193 1 2641 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 90.23 -20.990917 27.2463 -25.72343 1 2642 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 95.7 -23.64122 31.05452 -29.615864 1 2643 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 94.92 -25.064877 30.84595 -29.847597 1 2644 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 94.92 -25.351864 30.44704 -31.291672 1 2645 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 94.14 -26.299568 29.699947 -31.550156 1 2646 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 94.92 -25.856281 32.105965 -29.486258 1 2647 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 93.75 -25.947578 32.402786 -27.987053 1 2648 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 91.8 -26.606377 33.75855 -27.753017 1 2649 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 91.02 -26.706705 31.299229 -27.272923 1 2650 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 95.31 -24.530712 30.918236 -32.232803 1 2651 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 94.53 -24.700544 30.553091 -33.634697 1 2652 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 94.53 -24.502731 29.062737 -33.862514 1 2653 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 92.97 -25.029932 28.502178 -34.82224 1 2654 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 93.75 -23.719645 31.337898 -34.51813 1 2655 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 89.84 -23.963982 32.842373 -34.521286 1 2656 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 86.33 -22.913708 33.552765 -35.375313 1 2657 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 82.81 -23.12095 35.055786 -35.348793 1 2658 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 78.91 -22.07988 35.760868 -36.133976 1 2659 +ATOM N N . SER B0 2 127 . 127 SER B0 N 94.92 -23.75573 28.405897 -32.950195 1 2660 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 94.14 -23.485065 26.98016 -33.084114 1 2661 +ATOM C C . SER B0 2 127 . 127 SER B0 C 94.53 -24.555632 26.122704 -32.418564 1 2662 +ATOM O O . SER B0 2 127 . 127 SER B0 O 92.58 -24.493523 24.892073 -32.508354 1 2663 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 92.58 -22.118874 26.644608 -32.50748 1 2664 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 89.84 -22.09787 26.835304 -31.110006 1 2665 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 94.92 -25.544998 26.744453 -31.765568 1 2666 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 94.53 -26.650707 26.021843 -31.164478 1 2667 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 94.53 -26.517998 25.679111 -29.70087 1 2668 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 93.75 -27.37289 24.973404 -29.159916 1 2669 +ATOM N N . THR B0 2 129 . 129 THR B0 N 95.7 -25.473398 26.150188 -29.02598 1 2670 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 95.31 -25.268974 25.8605 -27.605537 1 2671 +ATOM C C . THR B0 2 129 . 129 THR B0 C 96.09 -24.9741 27.148384 -26.850346 1 2672 +ATOM O O . THR B0 2 129 . 129 THR B0 O 95.31 -24.41096 28.092209 -27.414032 1 2673 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 94.14 -24.118656 24.86982 -27.405117 1 2674 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 89.84 -24.426346 23.652308 -28.090622 1 2675 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 88.28 -23.917622 24.552456 -25.921356 1 2676 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 96.09 -25.342909 27.17104 -25.559471 1 2677 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 96.48 -25.099937 28.331776 -24.714825 1 2678 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 96.09 -24.377201 27.897293 -23.443428 1 2679 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 95.31 -24.877148 27.054218 -22.696972 1 2680 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 96.09 -26.415668 29.025475 -24.362083 1 2681 +ATOM N N . SER B0 2 131 . 131 SER B0 N 96.48 -23.180447 28.464634 -23.194439 1 2682 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 96.48 -22.420683 28.201342 -21.976292 1 2683 +ATOM C C . SER B0 2 131 . 131 SER B0 C 96.48 -22.38435 29.474823 -21.14522 1 2684 +ATOM O O . SER B0 2 131 . 131 SER B0 O 96.09 -21.936663 30.519974 -21.630642 1 2685 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 96.09 -20.994946 27.757166 -22.304459 1 2686 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 93.75 -20.978682 26.518272 -22.987646 1 2687 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 96.48 -22.880655 29.376307 -19.912868 1 2688 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 96.48 -22.848587 30.505245 -18.991652 1 2689 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 96.48 -21.778227 30.190939 -17.95505 1 2690 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 96.09 -21.78072 29.100296 -17.363823 1 2691 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 96.48 -24.213789 30.721003 -18.300083 1 2692 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 92.97 -24.240448 32.06787 -17.598696 1 2693 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 91.8 -25.361668 30.626467 -19.319052 1 2694 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 96.48 -20.85223 31.129496 -17.729488 1 2695 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 96.48 -19.723417 30.877516 -16.845776 1 2696 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 96.48 -19.768744 31.773445 -15.605589 1 2697 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 95.7 -19.971516 32.98806 -15.709527 1 2698 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 96.88 -18.381628 31.079906 -17.581806 1 2699 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 92.58 -17.210571 30.881147 -16.625324 1 2700 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 92.97 -18.28331 30.1155 -18.759657 1 2701 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 96.48 -19.576195 31.139874 -14.429895 1 2702 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 96.88 -19.483952 31.862434 -13.164404 1 2703 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 96.48 -18.069458 31.673752 -12.638483 1 2704 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 96.48 -17.583704 30.539196 -12.547739 1 2705 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 96.09 -20.506653 31.333742 -12.166425 1 2706 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 93.36 -20.620235 32.275093 -10.64213 1 2707 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 96.48 -17.39479 32.777523 -12.297578 1 2708 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 96.48 -16.021416 32.749313 -11.80781 1 2709 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 96.09 -15.957805 33.196877 -10.351187 1 2710 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 96.09 -16.484562 34.25499 -9.997963 1 2711 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 96.09 -15.133392 33.662785 -12.671849 1 2712 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 95.31 -13.729687 33.968304 -12.120412 1 2713 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 92.58 -13.066753 35.06562 -12.951246 1 2714 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 91.8 -12.865359 32.714676 -12.097321 1 2715 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 96.48 -15.309204 32.361214 -9.512188 1 2716 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 96.48 -15.038012 32.707466 -8.11585 1 2717 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 96.09 -13.532517 32.86779 -8.050583 1 2718 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 95.7 -12.790232 31.889545 -8.204474 1 2719 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 96.88 -15.486969 31.590693 -7.18354 1 2720 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 95.7 -16.972935 31.418217 -6.8821774 1 2721 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 93.75 -17.762905 31.057468 -8.119669 1 2722 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 93.36 -17.171093 30.374586 -5.7924294 1 2723 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 96.48 -13.062263 34.095177 -7.8272815 1 2724 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 96.09 -11.638803 34.38678 -7.922208 1 2725 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 96.09 -10.945494 34.640083 -6.586101 1 2726 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 95.7 -11.439699 35.41133 -5.7506847 1 2727 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 95.31 -11.42046 35.598385 -8.837379 1 2728 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 92.58 -10.083324 35.583794 -9.527643 1 2729 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 89.45 -9.680456 34.56627 -10.114003 1 2730 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 88.67 -9.39694 36.697216 -9.511247 1 2731 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 96.09 -9.798006 33.977856 -6.390421 1 2732 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 95.7 -8.87328 34.19773 -5.2895536 1 2733 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 96.09 -9.532764 34.1317 -3.9134293 1 2734 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 95.7 -9.605282 35.123955 -3.1910827 1 2735 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 95.7 -8.136687 35.535927 -5.4656305 1 2736 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 93.75 -7.3445063 35.60002 -6.751557 1 2737 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 90.23 -7.3600225 36.609077 -7.4672337 1 2738 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 89.06 -6.6399837 34.52844 -7.069298 1 2739 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 96.09 -9.961115 32.92675 -3.534488 1 2740 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 96.09 -10.604307 32.73608 -2.236658 1 2741 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 95.7 -9.911764 31.657902 -1.4071416 1 2742 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 95.7 -9.103448 30.886097 -1.914748 1 2743 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 96.48 -12.0941725 32.38735 -2.4083264 1 2744 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 96.09 -12.348572 31.125414 -3.1918342 1 2745 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 93.75 -12.487644 31.167215 -4.5716715 1 2746 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 92.58 -12.469812 29.902988 -2.5439532 1 2747 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 93.36 -12.741068 30.000587 -5.2901773 1 2748 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 92.97 -12.720727 28.747732 -3.2577248 1 2749 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 95.7 -12.860527 28.789902 -4.6340046 1 2750 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 95.7 -10.213767 31.642097 -0.114247695 1 2751 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 95.7 -9.718052 30.64878 0.8243114 1 2752 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 95.31 -10.648882 30.629417 2.0244436 1 2753 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 94.92 -11.038878 31.696281 2.5059102 1 2754 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 94.92 -8.285313 30.956419 1.2792685 1 2755 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 94.14 -7.712207 29.85839 2.1487405 1 2756 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 92.58 -7.9504547 29.849663 3.526771 1 2757 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 91.8 -7.011321 28.79301 1.5960996 1 2758 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 90.62 -7.488284 28.821255 4.3212376 1 2759 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 90.62 -6.5424194 27.760498 2.3888283 1 2760 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 91.41 -6.786389 27.77824 3.7512097 1 2761 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 91.02 -6.3393936 26.755636 4.5260067 1 2762 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 94.53 -11.038212 29.446453 2.5408516 1 2763 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 94.53 -10.604215 28.103012 2.1341867 1 2764 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 94.53 -11.264717 27.61671 0.8440119 1 2765 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 94.53 -12.068886 28.327625 0.24840754 1 2766 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 93.75 -11.034742 27.241476 3.32757 1 2767 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 92.58 -12.236494 27.937393 3.8603678 1 2768 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 92.19 -11.93034 29.410492 3.7049754 1 2769 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 94.53 -10.879331 26.418797 0.41653863 1 2770 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 94.14 -11.301315 25.867306 -0.86526704 1 2771 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 94.53 -12.802521 25.612915 -0.943851 1 2772 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 94.14 -13.400904 25.724524 -2.016659 1 2773 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 92.97 -10.538022 24.573086 -1.1464883 1 2774 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 90.23 -10.785587 23.97896 -2.5236976 1 2775 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 87.89 -10.011144 22.689432 -2.6722708 1 2776 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 85.55 -10.0224285 22.159878 -4.0381165 1 2777 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 83.59 -11.009586 21.43308 -4.541535 1 2778 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 82.03 -12.07963 21.149996 -3.7971032 1 2779 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 82.42 -10.937756 21.001797 -5.7902427 1 2780 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 94.53 -13.428034 25.291565 0.20627445 1 2781 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 93.75 -14.848157 24.947474 0.23680201 1 2782 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 94.53 -15.709777 26.136688 -0.19227347 1 2783 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 94.14 -15.651356 27.211884 0.4092555 1 2784 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 92.19 -15.2694645 24.485178 1.6321633 1 2785 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 87.89 -14.704336 23.123821 2.0312243 1 2786 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 84.77 -13.219181 23.137463 2.292982 1 2787 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 81.64 -12.562733 22.103148 2.055936 1 2788 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 81.25 -12.69367 24.179195 2.7407281 1 2789 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 95.31 -16.4816 25.942932 -1.244535 1 2790 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 95.7 -17.384928 26.967995 -1.7653377 1 2791 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 95.31 -18.56459 26.280207 -2.428841 1 2792 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 94.92 -18.447803 25.168756 -2.9322987 1 2793 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 96.09 -16.68152 27.886375 -2.7605176 1 2794 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 96.88 -19.728596 26.954557 -2.4069955 1 2795 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 96.48 -20.928871 26.395433 -3.0061638 1 2796 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 96.88 -21.443668 27.32581 -4.098896 1 2797 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 96.09 -21.593847 28.530645 -3.864819 1 2798 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 96.09 -22.017117 26.189577 -1.9404521 1 2799 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 91.8 -23.307125 25.587505 -2.4698699 1 2800 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 88.67 -24.318916 25.423937 -1.3376584 1 2801 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 84.77 -25.627314 24.831757 -1.8503025 1 2802 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 80.86 -26.61792 24.696877 -0.76244533 1 2803 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 96.88 -21.685162 26.75771 -5.2891045 1 2804 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 96.88 -22.203377 27.52621 -6.416422 1 2805 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 96.88 -23.553146 26.946743 -6.8142004 1 2806 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 96.09 -23.666573 25.746292 -7.078053 1 2807 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 96.88 -21.248669 27.487272 -7.625418 1 2808 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 94.14 -21.859116 28.25216 -8.802837 1 2809 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 92.97 -19.891518 28.07814 -7.251116 1 2810 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 97.27 -24.59158 27.795135 -6.8281007 1 2811 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 96.88 -25.924362 27.37434 -7.222047 1 2812 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 97.27 -26.350742 28.175873 -8.448528 1 2813 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 96.88 -26.229153 29.410301 -8.4623165 1 2814 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 96.09 -26.927826 27.59768 -6.0863113 1 2815 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 90.23 -26.66691 26.753044 -4.848855 1 2816 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 87.5 -27.523407 25.505882 -4.827546 1 2817 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 83.98 -27.395851 24.660004 -5.7078576 1 2818 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 82.03 -28.394629 25.390676 -3.8327856 1 2819 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 96.88 -26.84772 27.482845 -9.470747 1 2820 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 96.88 -27.343826 28.137297 -10.666388 1 2821 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 96.48 -28.866287 28.251272 -10.603911 1 2822 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 95.7 -29.549463 27.29386 -10.228781 1 2823 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 96.88 -26.935307 27.363132 -11.923371 1 2824 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 96.48 -25.522911 27.566257 -12.353092 1 2825 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 95.31 -24.481968 26.713184 -12.148186 1 2826 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 96.09 -24.996649 28.677406 -13.077887 1 2827 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 94.92 -23.335136 27.225777 -12.696907 1 2828 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 95.7 -23.61622 28.431292 -13.273283 1 2829 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 96.09 -25.554237 29.861286 -13.584885 1 2830 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 96.09 -22.79043 29.323744 -13.957616 1 2831 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 95.7 -24.731167 30.740772 -14.253609 1 2832 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 95.31 -23.361568 30.474648 -14.432646 1 2833 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 96.88 -29.383764 29.403942 -10.977812 1 2834 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 96.48 -30.82568 29.625063 -11.033235 1 2835 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 96.88 -31.187431 30.27126 -12.3649235 1 2836 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 96.09 -30.542274 31.241846 -12.785061 1 2837 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 96.48 -31.30466 30.50717 -9.87011 1 2838 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 92.97 -31.190231 29.840517 -8.510067 1 2839 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 91.02 -31.714212 30.762028 -7.4085674 1 2840 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 87.5 -31.60875 30.07867 -6.0515103 1 2841 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 84.38 -32.058647 30.969713 -4.957544 1 2842 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 96.48 -32.2147 29.720823 -13.015577 1 2843 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 96.48 -32.70629 30.253077 -14.285103 1 2844 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 96.09 -34.16072 30.647205 -14.050636 1 2845 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 95.31 -35.00487 29.786795 -13.7675295 1 2846 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 96.09 -32.603523 29.213703 -15.41655 1 2847 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 93.75 -33.17545 29.794834 -16.713818 1 2848 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 92.58 -31.148796 28.79202 -15.613064 1 2849 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 95.7 -34.46618 31.958797 -14.14506 1 2850 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 95.31 -35.779236 32.49064 -13.796406 1 2851 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 94.92 -36.178276 31.999523 -12.406181 1 2852 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 94.14 -37.30609 31.558796 -12.173114 1 2853 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 94.92 -36.83686 32.1023 -14.838335 1 2854 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 94.53 -36.706047 32.909023 -16.121998 1 2855 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 92.19 -36.067142 33.984764 -16.105392 1 2856 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 91.8 -37.23681 32.465702 -17.160126 1 2857 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 95.31 -35.206024 32.02375 -11.495613 1 2858 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 94.92 -35.33282 31.642864 -10.088725 1 2859 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 95.31 -35.56005 30.148499 -9.856995 1 2860 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 93.75 -35.851177 29.733889 -8.729368 1 2861 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 94.14 -36.446007 32.458702 -9.411123 1 2862 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 89.84 -36.2297 32.601124 -7.916666 1 2863 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 85.94 -35.088345 32.727947 -7.4636297 1 2864 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 84.38 -37.304565 32.57965 -7.151586 1 2865 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 95.7 -35.411858 29.33281 -10.899199 1 2866 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 95.31 -35.545784 27.889 -10.7609005 1 2867 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 95.7 -34.15381 27.271465 -10.596327 1 2868 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 94.92 -33.27662 27.456406 -11.443586 1 2869 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 94.92 -36.25173 27.28901 -11.966393 1 2870 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 96.09 -33.95572 26.513485 -9.496077 1 2871 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 95.7 -32.662117 25.89423 -9.20877 1 2872 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 95.7 -32.310074 24.861544 -10.281569 1 2873 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 94.92 -33.13801 24.017088 -10.639338 1 2874 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 94.92 -32.69639 25.229116 -7.8321514 1 2875 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 92.19 -31.402252 24.573124 -7.3564053 1 2876 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 89.84 -31.64709 23.797043 -6.0664988 1 2877 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 88.67 -30.318981 25.624651 -7.154072 1 2878 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 95.7 -31.077969 24.926695 -10.754328 1 2879 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 95.31 -30.60764 24.005093 -11.784444 1 2880 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 94.92 -29.866219 22.834435 -11.1598625 1 2881 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 93.75 -29.272236 22.958227 -10.083457 1 2882 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 94.92 -29.68393 24.722038 -12.769019 1 2883 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 93.75 -30.329594 25.917492 -13.427723 1 2884 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 94.14 -31.502148 25.52721 -14.303639 1 2885 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 90.62 -31.33958 24.815693 -15.283783 1 2886 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 89.45 -32.69939 25.950272 -13.943861 1 2887 +ATOM N N . SER B0 2 156 . 156 SER B0 N 93.75 -29.905443 21.688852 -11.8471365 1 2888 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 92.97 -29.158922 20.523636 -11.397062 1 2889 +ATOM C C . SER B0 2 156 . 156 SER B0 C 92.97 -28.822252 19.641605 -12.594593 1 2890 +ATOM O O . SER B0 2 156 . 156 SER B0 O 91.41 -29.636894 19.481161 -13.503792 1 2891 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 91.41 -29.949486 19.728527 -10.35857 1 2892 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 87.5 -31.128849 19.186552 -10.915483 1 2893 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 93.36 -27.613338 19.089596 -12.595707 1 2894 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 92.58 -27.186497 18.161367 -13.628023 1 2895 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 93.36 -26.713867 18.775501 -14.924309 1 2896 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 92.19 -26.338707 18.040573 -15.847106 1 2897 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 94.92 -26.728237 20.096382 -15.023241 1 2898 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 94.53 -26.31891 20.739758 -16.264755 1 2899 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 94.92 -25.171597 21.729393 -16.088741 1 2900 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 94.14 -25.001385 22.640644 -16.905777 1 2901 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 93.75 -27.513496 21.427217 -16.945171 1 2902 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 92.97 -28.243507 22.398636 -16.025543 1 2903 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 91.02 -27.88222 22.563093 -14.854343 1 2904 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 89.84 -29.28299 23.044102 -16.54242 1 2905 +ATOM N N . SER B0 2 159 . 159 SER B0 N 96.09 -24.37318 21.529873 -15.045891 1 2906 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 96.09 -23.217447 22.387398 -14.83172 1 2907 +ATOM C C . SER B0 2 159 . 159 SER B0 C 95.7 -22.024805 21.565899 -14.373781 1 2908 +ATOM O O . SER B0 2 159 . 159 SER B0 O 95.31 -22.181345 20.468298 -13.825986 1 2909 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 95.31 -23.526482 23.487713 -13.81285 1 2910 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 93.75 -23.80725 22.94932 -12.539762 1 2911 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 96.48 -20.831856 22.078281 -14.620262 1 2912 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 96.09 -19.593332 21.426792 -14.195695 1 2913 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 96.88 -18.642147 22.456985 -13.610525 1 2914 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 96.09 -18.568695 23.588793 -14.099859 1 2915 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 95.31 -18.924877 20.710625 -15.373167 1 2916 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 92.19 -19.667593 19.471851 -15.841423 1 2917 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 91.02 -18.901333 18.715345 -16.90266 1 2918 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 87.5 -18.781624 19.168982 -18.040798 1 2919 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 86.33 -18.354076 17.564117 -16.533525 1 2920 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 96.48 -17.905684 22.042961 -12.557465 1 2921 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 96.09 -16.952663 22.918694 -11.889851 1 2922 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 96.09 -15.514031 22.478703 -12.135305 1 2923 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 95.31 -15.246163 21.303373 -12.359045 1 2924 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 94.92 -17.201416 22.937988 -10.372837 1 2925 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 93.75 -18.48452 23.6418 -9.961512 1 2926 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 94.53 -18.636932 23.711922 -8.449065 1 2927 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 92.97 -19.61425 24.323196 -7.9768524 1 2928 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 92.58 -17.776192 23.159359 -7.718001 1 2929 +ATOM N N . SER B0 2 162 . 162 SER B0 N 96.09 -14.612814 23.447874 -12.07262 1 2930 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 96.09 -13.181479 23.178804 -12.153392 1 2931 +ATOM C C . SER B0 2 162 . 162 SER B0 C 96.09 -12.486057 24.135067 -11.185914 1 2932 +ATOM O O . SER B0 2 162 . 162 SER B0 O 96.09 -12.839436 25.319279 -11.125048 1 2933 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 95.7 -12.669022 23.391214 -13.577492 1 2934 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 94.14 -11.294332 23.061695 -13.678178 1 2935 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 94.92 -11.533342 23.609646 -10.413496 1 2936 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 94.53 -10.833793 24.412788 -9.415949 1 2937 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 94.14 -9.332108 24.366016 -9.670665 1 2938 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 94.14 -8.783236 23.309608 -9.983124 1 2939 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 94.14 -11.133509 23.910593 -7.989609 1 2940 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 92.58 -10.535288 24.852262 -6.948709 1 2941 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 92.19 -12.636417 23.787231 -7.774881 1 2942 +ATOM N N . THR B0 2 164 . 164 THR B0 N 93.75 -8.677501 25.508465 -9.517338 1 2943 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 93.75 -7.2307806 25.566875 -9.683073 1 2944 +ATOM C C . THR B0 2 164 . 164 THR B0 C 93.36 -6.5298343 24.945549 -8.477823 1 2945 +ATOM O O . THR B0 2 164 . 164 THR B0 O 92.58 -7.127475 24.77538 -7.4119205 1 2946 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 94.53 -6.732463 27.023712 -9.8161335 1 2947 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 94.14 -7.120368 27.759005 -8.648226 1 2948 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 93.36 -7.2928724 27.693218 -11.055764 1 2949 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 92.58 -5.2502575 24.612917 -8.640453 1 2950 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 92.58 -4.4257965 24.206764 -7.514757 1 2951 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 93.36 -4.1831055 25.449566 -6.6686697 1 2952 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 92.97 -4.3474016 26.584099 -7.1412544 1 2953 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 90.23 -3.0880628 23.636677 -7.997019 1 2954 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 85.94 -3.2077813 22.29702 -8.7179 1 2955 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 82.42 -3.6927214 21.19862 -7.8085966 1 2956 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 78.91 -4.6432714 20.492506 -8.192213 1 2957 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 77.73 -3.1308665 21.034397 -6.696082 1 2958 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 92.19 -3.8044312 25.24969 -5.421442 1 2959 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 91.8 -3.552773 26.37254 -4.526625 1 2960 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 91.41 -2.4605908 27.266632 -5.1085978 1 2961 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 90.62 -1.396677 26.789501 -5.5139637 1 2962 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 91.8 -3.1615725 25.861115 -3.1443548 1 2963 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 91.02 -3.19411 26.933054 -2.070657 1 2964 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 91.02 -3.0468283 26.366035 -0.67541397 1 2965 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 88.67 -2.4068904 25.331362 -0.48173892 1 2966 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 88.28 -3.6383708 27.03617 0.30980718 1 2967 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 92.19 -2.7268317 28.575474 -5.168527 1 2968 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 91.8 -1.7863827 29.529661 -5.751112 1 2969 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 91.41 -0.46184242 29.534433 -4.986814 1 2970 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 90.62 -0.45192367 29.538834 -3.7493937 1 2971 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 91.02 -2.4026685 30.937923 -5.744488 1 2972 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 90.62 -1.5564535 31.946877 -6.4932323 1 2973 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 89.45 -0.7312889 32.630005 -5.8472595 1 2974 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 87.89 -1.7261765 32.058136 -7.718171 1 2975 +ATOM N N . SER B0 2 168 . 168 SER B0 N 88.28 0.653656 29.508556 -5.7111044 1 2976 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 87.11 1.9675316 29.44292 -5.0988717 1 2977 +ATOM C C . SER B0 2 168 . 168 SER B0 C 87.89 2.3758688 30.736422 -4.397089 1 2978 +ATOM O O . SER B0 2 168 . 168 SER B0 O 86.33 3.2972083 30.723923 -3.5789785 1 2979 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 85.55 3.0235372 29.08486 -6.14665 1 2980 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 82.42 3.1187 30.084557 -7.1379886 1 2981 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 89.45 1.7088075 31.846462 -4.7036743 1 2982 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 88.67 2.0573652 33.132294 -4.116934 1 2983 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 89.06 1.1569612 33.502853 -2.9423785 1 2984 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 87.5 1.6470797 33.725285 -1.8366476 1 2985 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 87.11 2.0097842 34.245926 -5.175636 1 2986 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 83.2 3.038509 34.087456 -6.288535 1 2987 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 79.69 4.460237 34.31792 -5.7629576 1 2988 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 76.17 5.48337 34.26515 -6.894037 1 2989 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 72.27 6.8618956 34.50004 -6.396158 1 2990 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 92.19 -0.17422166 33.562542 -3.1783094 1 2991 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 91.8 -1.0806248 33.99165 -2.1158848 1 2992 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 91.8 -1.894918 32.86299 -1.4888434 1 2993 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 91.02 -2.7226758 33.123672 -0.6111283 1 2994 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 91.02 -2.0119543 35.109245 -2.6067247 1 2995 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 90.62 -2.9672058 34.672234 -3.7050076 1 2996 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 89.45 -3.130703 33.4561 -3.920328 1 2997 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 87.89 -3.5687132 35.563236 -4.3413353 1 2998 +ATOM N N . SER B0 2 171 . 171 SER B0 N 92.97 -1.6604239 31.617695 -1.8983328 1 2999 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 92.97 -2.283126 30.42436 -1.3282189 1 3000 +ATOM C C . SER B0 2 171 . 171 SER B0 C 93.75 -3.8053007 30.383894 -1.4652722 1 3001 +ATOM O O . SER B0 2 171 . 171 SER B0 O 93.36 -4.477725 29.695919 -0.70159394 1 3002 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 91.8 -1.8859183 30.25518 0.14315334 1 3003 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 89.84 -0.4765524 30.204884 0.2882074 1 3004 +ATOM N N . THR B0 2 172 . 172 THR B0 N 94.92 -4.3604836 31.10654 -2.442542 1 3005 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 94.92 -5.801758 31.102215 -2.6809587 1 3006 +ATOM C C . THR B0 2 172 . 172 THR B0 C 94.92 -6.177332 30.117096 -3.7819464 1 3007 +ATOM O O . THR B0 2 172 . 172 THR B0 O 94.14 -5.311232 29.559292 -4.460684 1 3008 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 95.7 -6.3320246 32.500114 -3.0734065 1 3009 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 94.53 -5.7210264 32.899666 -4.2974863 1 3010 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 93.75 -6.0528903 33.529842 -1.9847895 1 3011 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 96.09 -7.487663 29.919891 -3.9432526 1 3012 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 96.09 -8.046841 29.083273 -4.9992847 1 3013 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 96.09 -8.938781 29.933144 -5.895175 1 3014 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 96.09 -9.408614 30.998707 -5.497475 1 3015 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 95.7 -8.899103 27.94558 -4.412015 1 3016 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 94.92 -8.137163 26.988686 -3.5284238 1 3017 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 93.36 -8.045099 27.20766 -2.1578403 1 3018 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 92.97 -7.520008 25.868229 -4.0601716 1 3019 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 92.19 -7.3482523 26.334515 -1.3442776 1 3020 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 92.19 -6.8192186 24.986889 -3.2501955 1 3021 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 92.58 -6.7405834 25.227667 -1.8935875 1 3022 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 91.8 -6.0490646 24.367748 -1.0920284 1 3023 +ATOM N N . SER B0 2 174 . 174 SER B0 N 96.88 -9.163303 29.439829 -7.1002274 1 3024 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 97.27 -10.146795 30.035313 -8.005451 1 3025 +ATOM C C . SER B0 2 174 . 174 SER B0 C 96.88 -10.981958 28.897573 -8.57429 1 3026 +ATOM O O . SER B0 2 174 . 174 SER B0 O 96.48 -10.4972515 27.771519 -8.723408 1 3027 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 96.88 -9.476811 30.832859 -9.126036 1 3028 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 95.31 -8.856529 32.0074 -8.605762 1 3029 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 97.27 -12.257788 29.192448 -8.864671 1 3030 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 97.27 -13.174008 28.158224 -9.325849 1 3031 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 97.27 -14.029544 28.68006 -10.472027 1 3032 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 96.88 -14.446412 29.847973 -10.450801 1 3033 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 97.27 -14.066059 27.715816 -8.155005 1 3034 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 96.48 -15.156401 26.670765 -8.373705 1 3035 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 94.14 -15.437479 25.929703 -7.071685 1 3036 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 93.36 -16.450193 27.282124 -8.919865 1 3037 +ATOM N N . SER B0 2 176 . 176 SER B0 N 97.66 -14.265271 27.813377 -11.452185 1 3038 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 97.66 -15.180754 28.140976 -12.5353 1 3039 +ATOM C C . SER B0 2 176 . 176 SER B0 C 97.66 -16.332058 27.149384 -12.520556 1 3040 +ATOM O O . SER B0 2 176 . 176 SER B0 O 96.88 -16.14903 25.965809 -12.233496 1 3041 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 96.48 -14.482618 28.098087 -13.900789 1 3042 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 95.31 -14.250041 26.769514 -14.306405 1 3043 +ATOM N N . SER B0 2 177 . 177 SER B0 N 97.66 -17.532635 27.64653 -12.785065 1 3044 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 97.66 -18.704918 26.790405 -12.929467 1 3045 +ATOM C C . SER B0 2 177 . 177 SER B0 C 97.27 -19.348179 27.15089 -14.264918 1 3046 +ATOM O O . SER B0 2 177 . 177 SER B0 O 96.88 -19.617508 28.327137 -14.523706 1 3047 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 97.27 -19.699802 27.007332 -11.788172 1 3048 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 94.53 -20.837296 26.16015 -11.939141 1 3049 +ATOM N N . THR B0 2 178 . 178 THR B0 N 97.27 -19.555626 26.140581 -15.104958 1 3050 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 97.27 -20.123604 26.376398 -16.428719 1 3051 +ATOM C C . THR B0 2 178 . 178 THR B0 C 96.88 -21.48871 25.700455 -16.549128 1 3052 +ATOM O O . THR B0 2 178 . 178 THR B0 O 96.48 -21.601715 24.488998 -16.407112 1 3053 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 97.27 -19.191235 25.85641 -17.534428 1 3054 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 92.97 -17.924744 26.506336 -17.423727 1 3055 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 93.75 -19.77702 26.145027 -18.921398 1 3056 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 96.88 -22.516151 26.518866 -16.803572 1 3057 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 96.88 -23.869995 26.029175 -17.0377 1 3058 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 96.48 -24.042988 25.880121 -18.543766 1 3059 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 96.48 -23.798893 26.834118 -19.293808 1 3060 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 96.88 -24.900345 27.020466 -16.491096 1 3061 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 95.7 -26.385923 26.690138 -16.724499 1 3062 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 92.58 -27.245514 27.92909 -16.456093 1 3063 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 91.41 -26.814106 25.535706 -15.843097 1 3064 +ATOM N N . THR B0 2 180 . 180 THR B0 N 96.88 -24.435013 24.689495 -18.994083 1 3065 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 96.48 -24.582401 24.446981 -20.427376 1 3066 +ATOM C C . THR B0 2 180 . 180 THR B0 C 96.48 -26.035713 24.12775 -20.780481 1 3067 +ATOM O O . THR B0 2 180 . 180 THR B0 O 95.7 -26.646187 23.247948 -20.186363 1 3068 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 95.7 -23.674734 23.305058 -20.893818 1 3069 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 91.41 -22.319431 23.628954 -20.577154 1 3070 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 90.23 -23.800823 23.092285 -22.399885 1 3071 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 96.48 -26.580046 24.867891 -21.759897 1 3072 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 95.7 -27.94178 24.678154 -22.247236 1 3073 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 95.7 -27.927738 24.711529 -23.76988 1 3074 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 94.92 -27.00541 25.257996 -24.381023 1 3075 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 95.31 -28.87104 25.788742 -21.75521 1 3076 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 92.97 -29.006723 26.013052 -20.251575 1 3077 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 91.02 -29.818995 27.28291 -20.002083 1 3078 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 89.84 -29.647358 24.816498 -19.589329 1 3079 +ATOM N N . SER B0 2 182 . 182 SER B0 N 96.09 -28.965708 24.125538 -24.37649 1 3080 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 95.31 -29.111227 24.264093 -25.817322 1 3081 +ATOM C C . SER B0 2 182 . 182 SER B0 C 95.7 -29.525467 25.707672 -26.095398 1 3082 +ATOM O O . SER B0 2 182 . 182 SER B0 O 94.92 -30.056957 26.39346 -25.210526 1 3083 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 94.53 -30.178923 23.300392 -26.355747 1 3084 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 92.97 -31.46545 23.662445 -25.874723 1 3085 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 95.7 -29.296436 26.166481 -27.307438 1 3086 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 95.31 -29.689762 27.527199 -27.659763 1 3087 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 95.31 -31.190063 27.725174 -27.459332 1 3088 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 94.92 -31.632677 28.749805 -26.933958 1 3089 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 95.31 -29.31398 27.838875 -29.115227 1 3090 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 93.36 -29.778519 29.21634 -29.58162 1 3091 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 92.19 -29.474096 29.413403 -31.0664 1 3092 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 89.45 -29.993069 30.77043 -31.550598 1 3093 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 86.72 -29.72617 30.961674 -32.99254 1 3094 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 95.31 -31.96775 26.713085 -27.856142 1 3095 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 94.92 -33.42303 26.78482 -27.730743 1 3096 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 94.92 -33.856308 26.938513 -26.279598 1 3097 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 94.53 -34.712303 27.769878 -25.965076 1 3098 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 94.92 -34.068275 25.54408 -28.34497 1 3099 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 96.09 -33.260925 26.138332 -25.375996 1 3100 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 95.7 -33.604073 26.230507 -23.95405 1 3101 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 96.09 -33.137962 27.557524 -23.371494 1 3102 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 95.31 -33.833492 28.144066 -22.54158 1 3103 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 94.92 -32.97896 25.066235 -23.173275 1 3104 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 91.41 -33.739727 23.763672 -23.37287 1 3105 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 89.45 -34.90426 23.809504 -23.830738 1 3106 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 87.89 -33.166946 22.695274 -23.067047 1 3107 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 95.7 -31.95795 28.011887 -23.780218 1 3108 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 95.7 -31.423998 29.28084 -23.278984 1 3109 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 95.31 -32.352936 30.446127 -23.63223 1 3110 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 94.92 -32.57193 31.349285 -22.81484 1 3111 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 95.7 -30.030685 29.524193 -23.86219 1 3112 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 94.92 -29.449614 30.878277 -23.507774 1 3113 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 92.19 -29.301382 31.866405 -24.48178 1 3114 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 91.8 -29.03868 31.16248 -22.208683 1 3115 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 91.41 -28.760258 33.09664 -24.162655 1 3116 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 91.8 -28.500652 32.392952 -21.88331 1 3117 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 94.14 -28.36242 33.358704 -22.86274 1 3118 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 94.14 -27.82698 34.58107 -22.55085 1 3119 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 95.31 -32.928864 30.411686 -24.835396 1 3120 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 95.31 -33.78683 31.495003 -25.307335 1 3121 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 95.31 -35.20498 31.44585 -24.72733 1 3122 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 94.53 -35.99686 32.35175 -24.967314 1 3123 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 94.92 -33.843323 31.494747 -26.838491 1 3124 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 91.8 -32.500587 31.867348 -27.458988 1 3125 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 89.84 -32.52585 31.90283 -28.973146 1 3126 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 87.5 -31.624249 32.52861 -29.569326 1 3127 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 86.72 -33.441822 31.292448 -29.572866 1 3128 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 94.92 -35.52324 30.408157 -23.978182 1 3129 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 94.53 -36.833843 30.299278 -23.337555 1 3130 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 94.53 -36.88701 31.015533 -21.99802 1 3131 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 93.75 -37.96747 31.148022 -21.408943 1 3132 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 94.14 -37.220085 28.830923 -23.135155 1 3133 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 91.8 -37.49488 28.07825 -24.42275 1 3134 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 89.06 -37.83416 26.62188 -24.12698 1 3135 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 86.33 -38.080574 25.86317 -25.415264 1 3136 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 82.81 -38.35058 24.423225 -25.15559 1 3137 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 95.31 -35.737923 31.45383 -21.486683 1 3138 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 95.31 -35.672657 32.07351 -20.160309 1 3139 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 95.31 -34.97737 33.41537 -20.213919 1 3140 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 94.53 -34.28192 33.744595 -21.184498 1 3141 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 94.92 -34.96718 31.134434 -19.173206 1 3142 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 94.14 -35.591106 29.778864 -19.125519 1 3143 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 89.45 -36.762062 29.526758 -18.443083 1 3144 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 88.67 -35.220478 28.60627 -19.6881 1 3145 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 89.06 -37.084106 28.255007 -18.597536 1 3146 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 89.84 -36.159676 27.672775 -19.348185 1 3147 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 94.92 -35.139664 34.203564 -19.15149 1 3148 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 94.92 -34.626907 35.566044 -19.119858 1 3149 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 94.92 -33.502785 35.800407 -18.098007 1 3150 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 94.53 -32.425407 36.27068 -18.467335 1 3151 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 93.75 -35.764824 36.55493 -18.843483 1 3152 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 91.02 -35.31742 38.012962 -18.77621 1 3153 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 88.28 -36.513924 38.9267 -18.53644 1 3154 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 84.77 -36.06747 40.39028 -18.429594 1 3155 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 82.42 -37.215427 41.285492 -18.185421 1 3156 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 95.7 -33.73876 35.462425 -16.823416 1 3157 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 95.7 -32.78187 35.762108 -15.762072 1 3158 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 95.7 -31.873215 34.567905 -15.466316 1 3159 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 95.31 -32.350517 33.474567 -15.131897 1 3160 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 95.31 -33.502087 36.2016 -14.468963 1 3161 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 92.58 -32.488697 36.597168 -13.402523 1 3162 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 91.8 -34.457973 37.36043 -14.759241 1 3163 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 95.7 -30.569374 34.78775 -15.584458 1 3164 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 95.7 -29.569458 33.76839 -15.291153 1 3165 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 95.31 -28.73864 34.245686 -14.108558 1 3166 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 94.92 -28.137918 35.322186 -14.162415 1 3167 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 95.7 -28.693592 33.50098 -16.51973 1 3168 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 95.31 -29.462934 32.792736 -17.609886 1 3169 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 93.36 -30.263641 33.504776 -18.491531 1 3170 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 92.58 -29.433762 31.411316 -17.716263 1 3171 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 92.58 -31.012274 32.853615 -19.461971 1 3172 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 92.58 -30.173798 30.753777 -18.68458 1 3173 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 94.53 -30.96306 31.479992 -19.548817 1 3174 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 94.14 -31.710434 30.832829 -20.499905 1 3175 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 96.48 -28.713219 33.429832 -13.046419 1 3176 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 96.09 -28.04045 33.83702 -11.822859 1 3177 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 96.09 -27.134552 32.748795 -11.259464 1 3178 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 96.09 -27.439636 31.561863 -11.336887 1 3179 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 95.31 -29.062538 34.25473 -10.771187 1 3180 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 96.48 -25.990742 33.179707 -10.708633 1 3181 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 96.48 -25.03379 32.312943 -10.033395 1 3182 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 96.48 -24.965715 32.78572 -8.588012 1 3183 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 95.7 -24.577015 33.93032 -8.321902 1 3184 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 95.31 -23.66638 32.421883 -10.701308 1 3185 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 92.97 -22.341568 31.569029 -9.863004 1 3186 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 96.88 -25.355196 31.91417 -7.6172943 1 3187 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 96.88 -25.340534 32.26339 -6.2016706 1 3188 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 96.88 -24.17474 31.561953 -5.515403 1 3189 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 96.09 -24.041973 30.335855 -5.600367 1 3190 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 96.09 -26.660704 31.871723 -5.534604 1 3191 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 93.36 -26.762989 32.307 -4.0805254 1 3192 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 92.19 -28.068577 31.882101 -3.439749 1 3193 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 89.45 -28.937943 32.746986 -3.2048411 1 3194 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 88.28 -28.216942 30.663963 -3.195527 1 3195 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 96.88 -23.346264 32.33424 -4.8320765 1 3196 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 96.88 -22.13432 31.815578 -4.2176332 1 3197 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 96.48 -22.195759 31.91676 -2.6973553 1 3198 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 96.09 -22.500195 32.98104 -2.146092 1 3199 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 96.48 -20.890026 32.560905 -4.736502 1 3200 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 92.58 -19.63757 32.09601 -3.9987931 1 3201 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 92.19 -20.742956 32.352013 -6.2387476 1 3202 +ATOM N N . THR B0 2 197 . 197 THR B0 N 96.88 -21.877728 30.785429 -2.036635 1 3203 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 96.48 -21.797218 30.73376 -0.5831208 1 3204 +ATOM C C . THR B0 2 197 . 197 THR B0 C 96.48 -20.356518 30.373528 -0.21459873 1 3205 +ATOM O O . THR B0 2 197 . 197 THR B0 O 96.09 -19.792389 29.425323 -0.7556426 1 3206 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 96.48 -22.762787 29.692886 -0.00149699 1 3207 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 92.97 -24.103218 30.018986 -0.39970893 1 3208 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 92.19 -22.68592 29.655975 1.5155984 1 3209 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 96.09 -19.768377 31.14021 0.698863 1 3210 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 96.09 -18.384338 30.919798 1.1234889 1 3211 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 96.09 -18.181305 31.49862 2.5190039 1 3212 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 95.31 -18.841038 32.478313 2.8900666 1 3213 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 95.7 -17.402609 31.561554 0.13830021 1 3214 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 96.09 -15.971027 31.272392 0.4450072 1 3215 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 92.97 -15.165783 32.13888 1.1631463 1 3216 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 92.19 -15.192736 30.211615 0.13021353 1 3217 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 92.19 -13.966659 31.61339 1.2800276 1 3218 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 92.58 -13.944598 30.4493 0.65835345 1 3219 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 95.7 -17.281826 30.90268 3.2809138 1 3220 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 95.31 -17.012745 31.316526 4.656554 1 3221 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 95.31 -16.63434 32.798004 4.7600045 1 3222 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 94.92 -16.942875 33.45747 5.7581744 1 3223 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 94.53 -15.900999 30.443668 5.2461247 1 3224 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 92.19 -15.580713 30.764763 6.7013264 1 3225 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 89.84 -14.447006 29.910757 7.237063 1 3226 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 87.11 -14.18077 28.82484 6.717921 1 3227 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 85.55 -13.770182 30.39135 8.274016 1 3228 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 95.31 -15.97525 33.316273 3.7336755 1 3229 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 95.31 -15.544598 34.705917 3.7310243 1 3230 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 94.92 -16.639164 35.708717 3.3981051 1 3231 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 94.53 -16.406296 36.921547 3.431532 1 3232 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 95.31 -17.845963 35.213585 3.0871816 1 3233 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 94.92 -18.9825 36.06436 2.7661939 1 3234 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 94.53 -19.992188 36.036446 3.9088094 1 3235 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 94.14 -20.37238 34.961567 4.3687944 1 3236 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 94.92 -19.656527 35.596855 1.4687748 1 3237 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 94.53 -18.799685 35.602554 0.19870928 1 3238 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 92.97 -19.52576 34.87509 -0.9296261 1 3239 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 91.8 -18.451859 37.024548 -0.21108265 1 3240 +ATOM N N . SER B0 2 202 . 202 SER B0 N 94.92 -20.419662 37.20221 4.3556304 1 3241 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 94.14 -21.383762 37.275375 5.451096 1 3242 +ATOM C C . SER B0 2 202 . 202 SER B0 C 94.53 -22.749065 36.741295 5.0343857 1 3243 +ATOM O O . SER B0 2 202 . 202 SER B0 O 93.36 -23.520813 36.279335 5.877781 1 3244 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 93.36 -21.517006 38.71726 5.9485846 1 3245 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 89.84 -21.949474 39.582336 4.913824 1 3246 +ATOM N N . SER B0 2 203 . 203 SER B0 N 94.92 -23.042524 36.808228 3.7441912 1 3247 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 94.92 -24.271217 36.264328 3.1773014 1 3248 +ATOM C C . SER B0 2 203 . 203 SER B0 C 95.31 -23.999344 35.87673 1.732469 1 3249 +ATOM O O . SER B0 2 203 . 203 SER B0 O 94.14 -23.036795 36.358856 1.1258471 1 3250 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 94.14 -25.412489 37.287457 3.2493944 1 3251 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 90.62 -25.098225 38.458412 2.519267 1 3252 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 95.31 -24.796864 34.958008 1.1637914 1 3253 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 95.31 -24.560791 34.540615 -0.22095367 1 3254 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 95.31 -24.550102 35.725956 -1.1797009 1 3255 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 94.53 -25.325783 36.670532 -1.0183098 1 3256 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 94.92 -25.729977 33.592773 -0.5064709 1 3257 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 93.36 -26.095085 33.04566 0.83523655 1 3258 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 94.14 -25.909216 34.21003 1.7725065 1 3259 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 95.31 -23.648964 35.650806 -2.1657858 1 3260 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 94.92 -23.539188 36.690266 -3.1874793 1 3261 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 95.7 -24.112194 36.14262 -4.4847145 1 3262 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 95.7 -23.792519 35.013317 -4.877758 1 3263 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 94.14 -22.074505 37.123444 -3.4045634 1 3264 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 91.8 -21.945183 38.003555 -4.6504145 1 3265 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 91.02 -21.562885 37.86556 -2.1785283 1 3266 +ATOM N N . THR B0 2 206 . 206 THR B0 N 94.53 -24.962374 36.93068 -5.142768 1 3267 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 94.53 -25.561476 36.514854 -6.4022346 1 3268 +ATOM C C . THR B0 2 206 . 206 THR B0 C 93.75 -25.163902 37.47268 -7.5220118 1 3269 +ATOM O O . THR B0 2 206 . 206 THR B0 O 93.36 -25.2733 38.68775 -7.372939 1 3270 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 94.92 -27.093937 36.469437 -6.3022757 1 3271 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 92.19 -27.48317 35.50546 -5.318163 1 3272 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 91.41 -27.718458 36.075085 -7.6441092 1 3273 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 95.31 -24.671066 36.90166 -8.606517 1 3274 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 94.92 -24.36406 37.66084 -9.817709 1 3275 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 95.31 -25.327934 37.18264 -10.888117 1 3276 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 94.92 -25.551155 35.968178 -11.029671 1 3277 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 94.14 -22.920584 37.44885 -10.263527 1 3278 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 91.8 -21.884716 38.03841 -9.309799 1 3279 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 89.06 -21.950016 39.56389 -9.274944 1 3280 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 86.72 -20.866724 40.12355 -8.3575 1 3281 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 84.38 -20.905018 41.595955 -8.303223 1 3282 +ATOM N N . SER B0 2 208 . 208 SER B0 N 94.14 -25.932457 38.115776 -11.6440325 1 3283 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 93.75 -26.92823 37.72091 -12.628431 1 3284 +ATOM C C . SER B0 2 208 . 208 SER B0 C 93.75 -26.937336 38.658356 -13.832321 1 3285 +ATOM O O . SER B0 2 208 . 208 SER B0 O 92.58 -26.34166 39.735527 -13.802819 1 3286 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 93.36 -28.327713 37.688835 -11.993244 1 3287 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 90.23 -28.72586 38.985847 -11.580393 1 3288 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 93.75 -27.627338 38.238445 -14.878648 1 3289 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 93.75 -27.827251 39.057007 -16.071291 1 3290 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 93.36 -29.158358 38.686325 -16.709915 1 3291 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 92.58 -29.709953 37.61184 -16.437609 1 3292 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 93.75 -26.678041 38.89189 -17.083977 1 3293 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 93.75 -26.608599 37.530365 -17.727037 1 3294 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 92.19 -25.804634 36.539654 -17.18544 1 3295 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 91.8 -27.318176 37.24245 -18.87225 1 3296 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 91.41 -25.720564 35.284523 -17.779476 1 3297 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 91.41 -27.242405 35.989906 -19.469688 1 3298 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 92.58 -26.445972 35.007313 -18.920462 1 3299 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 93.75 -29.66275 39.58165 -17.52198 1 3300 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 92.97 -30.88781 39.3315 -18.270374 1 3301 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 92.97 -30.521116 39.053528 -19.720173 1 3302 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 91.41 -29.802776 39.847473 -20.342014 1 3303 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 92.19 -31.827515 40.539215 -18.202003 1 3304 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 90.23 -32.337692 40.81523 -16.801815 1 3305 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 87.11 -32.506172 39.88842 -16.017284 1 3306 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 85.94 -32.58794 42.079113 -16.48528 1 3307 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 92.58 -30.991676 37.931534 -20.272234 1 3308 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 91.8 -30.67396 37.530823 -21.633837 1 3309 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 90.23 -31.094862 38.63143 -22.620308 1 3310 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 87.5 -32.205265 39.155865 -22.545218 1 3311 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 91.02 -31.370426 36.216705 -22.003498 1 3312 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 89.84 -31.086693 35.74026 -23.416332 1 3313 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 89.45 -31.899645 34.498573 -23.782003 1 3314 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 88.67 -33.326103 34.688656 -23.550533 1 3315 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 88.28 -34.127457 35.36536 -24.349983 1 3316 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 86.72 -35.424065 35.488132 -24.053165 1 3317 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 87.11 -33.6575 35.904507 -25.460217 1 3318 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 87.5 -30.205486 38.970966 -23.516075 1 3319 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 85.55 -30.483128 39.96444 -24.532057 1 3320 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 84.38 -30.195107 41.405552 -24.143677 1 3321 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 80.08 -30.383224 42.314217 -24.96902 1 3322 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 81.25 -29.7527 41.60694 -22.920914 1 3323 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 79.69 -29.458496 42.958138 -22.461285 1 3324 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 78.52 -27.947258 43.209618 -22.413956 1 3325 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 74.61 -27.140434 42.29802 -22.63213 1 3326 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 76.56 -30.046207 43.20872 -21.060375 1 3327 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 72.66 -31.55248 43.12524 -21.043324 1 3328 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 70.31 -32.11258 43.399635 -19.663017 1 3329 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 67.58 -33.34494 43.343964 -19.507872 1 3330 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 67.19 -31.332644 43.678368 -18.727192 1 3331 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 66.41 -27.516403 44.316963 -22.108082 1 3332 +ATOM N N . SER C0 3 1 . 1 SER C0 N 70.31 39.765427 -6.3338265 24.8841 1 3333 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 70.7 39.736763 -5.370118 23.78447 1 3334 +ATOM C C . SER C0 3 1 . 1 SER C0 C 72.27 39.464203 -3.9632602 24.296799 1 3335 +ATOM O O . SER C0 3 1 . 1 SER C0 O 69.53 38.994026 -3.772633 25.42538 1 3336 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 67.97 38.660522 -5.7633595 22.762356 1 3337 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 64.45 37.359108 -5.609991 23.3014 1 3338 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 78.52 39.774826 -3.0001564 23.477242 1 3339 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 78.52 39.512775 -1.6140727 23.852173 1 3340 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 78.12 38.01146 -1.3506713 23.976978 1 3341 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 75.39 37.583572 -0.5697474 24.832096 1 3342 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 77.34 40.117813 -0.65876305 22.809513 1 3343 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 75.39 41.647057 -0.54663706 22.827604 1 3344 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 73.83 42.120773 0.34897137 21.683495 1 3345 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 72.27 42.150703 -0.019894525 24.1572 1 3346 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 82.42 37.24775 -2.0064168 23.142063 1 3347 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 82.42 35.7921 -1.8543853 23.223827 1 3348 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 83.2 35.27562 -2.364515 24.565231 1 3349 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 80.86 34.437492 -1.716856 25.198044 1 3350 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 80.08 35.10707 -2.6035905 22.083439 1 3351 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 76.56 35.294632 -1.9323007 20.738625 1 3352 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 73.44 35.43628 -0.694183 20.694834 1 3353 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 71.48 35.29444 -2.6425104 19.717888 1 3354 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 82.42 35.76568 -3.5147414 25.003864 1 3355 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 82.42 35.371994 -4.084003 26.289358 1 3356 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 83.2 35.841583 -3.180981 27.43669 1 3357 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 80.86 35.137093 -3.014813 28.4379 1 3358 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 79.69 35.962456 -5.4913597 26.43646 1 3359 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 75.39 35.666397 -6.157378 27.79197 1 3360 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 72.27 34.226616 -6.581279 27.936214 1 3361 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 69.14 33.52987 -6.7484665 26.916798 1 3362 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 67.97 33.76669 -6.7318344 29.083765 1 3363 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 85.16 37.03334 -2.59998 27.28 1 3364 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 85.55 37.615578 -1.7607304 28.317375 1 3365 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 86.72 36.815212 -0.48183432 28.546509 1 3366 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 85.16 36.740433 0.0118019795 29.677908 1 3367 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 82.81 39.064716 -1.4215329 27.941467 1 3368 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 78.12 39.816444 -0.5956738 28.988663 1 3369 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 75.0 41.259937 -0.36794525 28.538065 1 3370 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 71.48 42.025322 0.44160303 29.576153 1 3371 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 68.36 43.434586 0.66051567 29.150661 1 3372 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 87.89 36.195053 0.04327993 27.486649 1 3373 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 88.67 35.462303 1.300071 27.577213 1 3374 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 89.45 33.940002 1.123189 27.576868 1 3375 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 88.28 33.203144 2.0943587 27.4124 1 3376 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 86.33 35.87462 2.2242012 26.41703 1 3377 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 83.2 37.33284 2.626371 26.487173 1 3378 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 80.08 37.7219 3.4173782 27.351452 1 3379 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 78.12 38.155174 2.0897198 25.586193 1 3380 +ATOM N N . SER C0 3 7 . 7 SER C0 N 90.62 33.48555 -0.12123087 27.77934 1 3381 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 91.02 32.05007 -0.40658194 27.717617 1 3382 +ATOM C C . SER C0 3 7 . 7 SER C0 C 91.8 31.613874 -1.3691148 28.816753 1 3383 +ATOM O O . SER C0 3 7 . 7 SER C0 O 90.62 32.443676 -1.9956639 29.471556 1 3384 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 90.23 31.67899 -0.983911 26.352793 1 3385 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 87.89 32.08255 -0.13881603 25.294544 1 3386 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 91.8 30.303154 -1.4690814 28.988647 1 3387 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 92.19 29.71481 -2.4139495 29.92198 1 3388 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 93.36 29.094799 -3.5421638 29.094831 1 3389 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 92.58 28.388165 -3.2830877 28.108288 1 3390 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 91.02 28.636536 -1.7305189 30.794765 1 3391 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 87.11 27.912079 -2.7570632 31.642036 1 3392 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 85.16 29.259436 -0.65423 31.664886 1 3393 +ATOM N N . SER C0 3 9 . 9 SER C0 N 92.58 29.351948 -4.7905784 29.467384 1 3394 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 92.58 28.842201 -5.946996 28.741787 1 3395 +ATOM C C . SER C0 3 9 . 9 SER C0 C 92.97 27.460651 -6.342904 29.267067 1 3396 +ATOM O O . SER C0 3 9 . 9 SER C0 O 92.58 27.270487 -6.480708 30.476404 1 3397 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 91.41 29.809486 -7.1155896 28.862087 1 3398 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 87.5 29.365421 -8.226795 28.114153 1 3399 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 93.36 26.495708 -6.520774 28.350853 1 3400 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 93.75 25.140703 -6.9105177 28.711662 1 3401 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 93.75 24.795639 -8.209235 27.987392 1 3402 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 92.97 24.94432 -8.304756 26.76484 1 3403 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 92.97 24.120613 -5.810483 28.330528 1 3404 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 90.62 22.703827 -6.2578716 28.644735 1 3405 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 89.45 24.441143 -4.504737 29.049053 1 3406 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 93.36 24.33123 -9.215394 28.746042 1 3407 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 92.97 23.943218 -10.500366 28.169033 1 3408 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 93.36 22.578306 -10.383264 27.491394 1 3409 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 92.58 21.662632 -9.7357235 28.009357 1 3410 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 91.8 23.890017 -11.584286 29.248627 1 3411 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 87.89 25.265678 -11.95164 29.767319 1 3412 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 85.16 26.223469 -11.937297 28.974104 1 3413 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 83.2 25.376421 -12.26193 30.96899 1 3414 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 93.75 22.43652 -11.027923 26.326874 1 3415 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 93.75 21.209995 -10.985614 25.54379 1 3416 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 93.36 20.707493 -12.388229 25.23885 1 3417 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 92.19 21.479471 -13.350055 25.286015 1 3418 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 93.75 21.451595 -10.252454 24.221462 1 3419 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 93.36 21.962082 -8.815215 24.289974 1 3420 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 91.8 22.38806 -8.355935 22.902145 1 3421 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 91.02 20.900133 -7.901002 24.869278 1 3422 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 93.36 19.41252 -12.526297 24.898804 1 3423 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 92.58 18.897995 -13.827884 24.460537 1 3424 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 92.19 19.668701 -14.293819 23.221935 1 3425 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 90.23 20.140022 -13.472601 22.42998 1 3426 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 91.8 17.426697 -13.539856 24.128677 1 3427 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 91.02 17.078537 -12.345757 24.97182 1 3428 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 91.8 18.333683 -11.516428 24.989563 1 3429 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 89.45 19.802206 -15.6106415 23.067917 1 3430 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 88.67 20.529177 -16.136593 21.92575 1 3431 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 88.28 22.017176 -16.261137 22.172388 1 3432 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 86.33 22.793186 -16.374882 21.220127 1 3433 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 88.67 22.404081 -16.251802 23.443674 1 3434 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 88.28 23.803387 -16.35709 23.848577 1 3435 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 89.45 24.676998 -15.304692 23.159077 1 3436 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 87.89 25.757164 -15.586319 22.656137 1 3437 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 85.94 24.337284 -17.760044 23.554916 1 3438 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 80.47 23.58724 -18.843475 24.308664 1 3439 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 76.17 24.141552 -20.23576 24.051205 1 3440 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 72.27 23.613714 -21.200308 24.635235 1 3441 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 70.31 25.099926 -20.375889 23.26646 1 3442 +ATOM N N . MET C0 3 16 . 16 MET C0 N 92.19 24.15208 -14.0839 23.122673 1 3443 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 92.19 24.882118 -12.954184 22.556654 1 3444 +ATOM C C . MET C0 3 16 . 16 MET C0 C 92.58 25.157343 -11.937847 23.652004 1 3445 +ATOM O O . MET C0 3 16 . 16 MET C0 O 91.41 24.572357 -11.986936 24.73631 1 3446 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 91.02 24.076908 -12.294068 21.429874 1 3447 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 87.89 23.967464 -13.134651 20.165276 1 3448 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 85.94 23.170074 -12.241005 18.812222 1 3449 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 82.42 21.490223 -12.150959 19.4483 1 3450 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 92.58 26.05946 -11.021749 23.361916 1 3451 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 92.58 26.38588 -9.939437 24.286722 1 3452 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 92.97 26.462265 -8.639257 23.51067 1 3453 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 92.58 26.842743 -8.620648 22.334793 1 3454 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 91.02 27.72996 -10.193184 24.989094 1 3455 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 87.5 27.744984 -11.407582 25.898087 1 3456 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 85.16 29.115566 -11.559082 26.559809 1 3457 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 80.47 29.147608 -12.775363 27.471087 1 3458 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 76.56 30.47026 -12.933661 28.10802 1 3459 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 93.36 26.092258 -7.5563745 24.165403 1 3460 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 94.14 26.22812 -6.23653 23.548967 1 3461 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 94.14 27.075504 -5.3792925 24.485235 1 3462 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 93.36 26.924694 -5.4343452 25.711628 1 3463 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 93.75 24.845417 -5.5687428 23.287956 1 3464 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 91.41 25.038227 -4.2228527 22.563679 1 3465 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 89.84 24.07774 -5.3647623 24.577843 1 3466 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 93.75 28.001207 -4.6204123 23.921848 1 3467 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 93.75 28.827185 -3.708348 24.698442 1 3468 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 94.14 28.202024 -2.3191285 24.608055 1 3469 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 93.75 27.937412 -1.8232199 23.505087 1 3470 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 93.36 30.259626 -3.679518 24.158379 1 3471 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 90.62 31.005386 -5.0106 24.14463 1 3472 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 88.28 32.403214 -4.815537 23.566034 1 3473 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 86.72 31.078705 -5.6144648 25.538181 1 3474 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 93.75 27.971104 -1.6980433 25.762268 1 3475 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 93.75 27.370476 -0.36680934 25.826788 1 3476 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 93.36 28.420597 0.61710596 26.34229 1 3477 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 92.58 29.064135 0.36517343 27.362728 1 3478 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 93.75 26.136124 -0.35250127 26.759403 1 3479 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 91.8 25.452799 1.0132664 26.71133 1 3480 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 90.62 25.164871 -1.4597201 26.380981 1 3481 +ATOM N N . SER C0 3 21 . 21 SER C0 N 93.75 28.58942 1.7322067 25.635574 1 3482 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 92.97 29.572512 2.7257519 26.04947 1 3483 +ATOM C C . SER C0 3 21 . 21 SER C0 C 92.97 29.22427 3.268815 27.437395 1 3484 +ATOM O O . SER C0 3 21 . 21 SER C0 O 92.19 28.052088 3.4474063 27.773523 1 3485 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 92.58 29.643858 3.8771744 25.036179 1 3486 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 90.23 28.414497 4.581216 24.95942 1 3487 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 92.19 30.24456 3.5108352 28.241764 1 3488 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 91.8 30.044018 4.012273 29.59673 1 3489 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 92.19 29.537466 5.4544 29.611568 1 3490 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 91.41 28.870184 5.872266 30.56403 1 3491 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 91.02 31.350113 3.9024563 30.38944 1 3492 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 87.89 31.774204 2.4578078 30.629799 1 3493 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 84.77 33.09492 2.4037862 31.401165 1 3494 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 81.25 33.518154 0.95791423 31.633995 1 3495 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 78.12 34.810783 0.8704535 32.346813 1 3496 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 91.02 29.857664 6.2284107 28.554203 1 3497 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 90.62 29.425962 7.617612 28.457787 1 3498 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 91.41 28.729372 7.8681684 27.12643 1 3499 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 90.23 28.974789 7.168412 26.14297 1 3500 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 89.45 30.614952 8.576038 28.599218 1 3501 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 85.16 31.323463 8.47394 29.94339 1 3502 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 82.03 32.4703 9.451702 30.055506 1 3503 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 78.52 32.987522 9.643587 31.174015 1 3504 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 76.95 32.863556 10.056732 29.033623 1 3505 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 92.58 27.861942 8.885805 27.09215 1 3506 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 92.19 27.186287 9.271134 25.856445 1 3507 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 91.8 28.191343 9.901102 24.894876 1 3508 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 90.62 29.16946 10.531407 25.323692 1 3509 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 91.8 26.051277 10.270227 26.140833 1 3510 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 90.23 24.850122 9.660141 26.848778 1 3511 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 88.67 23.76281 10.715351 27.036848 1 3512 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 85.94 22.527609 10.108849 27.689438 1 3513 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 83.59 21.47044 11.118814 27.89867 1 3514 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 92.19 27.927864 9.732229 23.580694 1 3515 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 91.41 28.79758 10.352436 22.587402 1 3516 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 91.41 28.38832 11.812462 22.391878 1 3517 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 90.23 27.508322 12.3177395 23.102295 1 3518 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 90.62 28.759323 9.581554 21.262703 1 3519 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 89.84 27.37257 9.493702 20.655869 1 3520 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 87.5 26.53352 10.380306 20.839157 1 3521 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 86.33 27.12028 8.421556 19.911444 1 3522 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 91.8 29.031685 12.510885 21.461842 1 3523 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 91.8 28.746452 13.926084 21.249817 1 3524 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 92.19 27.321114 14.189116 20.774769 1 3525 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 90.62 26.854588 15.334112 20.833054 1 3526 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 90.62 29.742123 14.518726 20.245787 1 3527 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 87.11 29.637098 13.924623 18.851974 1 3528 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 83.98 30.646564 14.586626 17.914373 1 3529 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 80.47 30.553223 14.013998 16.515337 1 3530 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 77.34 31.517563 14.673644 15.613616 1 3531 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 92.19 26.622171 13.142243 20.294987 1 3532 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 92.19 25.233791 13.277151 19.860485 1 3533 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 92.58 24.242636 12.954998 20.982805 1 3534 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 91.8 23.03471 12.904105 20.746315 1 3535 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 90.62 24.960716 12.370533 18.65798 1 3536 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 88.28 25.792278 12.746176 17.445665 1 3537 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 86.33 25.921661 13.963739 17.17438 1 3538 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 84.77 26.316875 11.834918 16.775131 1 3539 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 93.36 24.749857 12.734497 22.189114 1 3540 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 93.36 23.90072 12.452676 23.33078 1 3541 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 93.75 23.325386 11.04743 23.353409 1 3542 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 92.97 22.2764 10.817806 23.962751 1 3543 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 94.14 23.998188 10.092569 22.705471 1 3544 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 94.14 23.531399 8.707643 22.66943 1 3545 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 94.14 24.634026 7.755887 23.120699 1 3546 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 93.75 25.815914 8.095172 23.0806 1 3547 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 93.75 23.067225 8.336205 21.254902 1 3548 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 91.8 21.849026 9.119226 20.787308 1 3549 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 90.23 21.369686 8.621246 19.431602 1 3550 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 86.72 20.103098 9.349423 18.999287 1 3551 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 83.59 19.5969 8.829536 17.717934 1 3552 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 94.14 24.21092 6.5572305 23.536785 1 3553 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 94.14 25.160135 5.5303965 23.939507 1 3554 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 94.53 25.537872 4.6909647 22.723293 1 3555 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 93.75 24.682972 4.363406 21.89822 1 3556 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 94.14 24.559952 4.630505 25.022833 1 3557 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 93.36 24.278084 5.358156 26.32439 1 3558 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 91.02 23.032787 5.9184923 26.5724 1 3559 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 90.23 25.263103 5.481642 27.296227 1 3560 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 89.45 22.772415 6.5946484 27.755308 1 3561 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 89.06 25.007961 6.1579876 28.483776 1 3562 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 90.23 23.762081 6.7072697 28.702118 1 3563 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 89.84 23.514704 7.3799906 29.875824 1 3564 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 94.14 26.807613 4.3494787 22.622366 1 3565 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 93.75 27.28024 3.504831 21.522665 1 3566 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 94.53 27.062763 2.0378528 21.872929 1 3567 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 94.14 27.30125 1.623635 23.008827 1 3568 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 93.36 28.76634 3.7600849 21.258581 1 3569 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 90.23 29.031464 5.159496 20.738113 1 3570 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 87.89 28.282791 5.61502 19.850906 1 3571 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 86.33 29.987736 5.7984366 21.219536 1 3572 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 93.75 26.591724 1.2555022 20.901886 1 3573 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 94.14 26.354227 -0.17317344 21.073986 1 3574 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 94.14 27.252901 -0.9435647 20.108278 1 3575 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 93.75 27.363987 -0.57936394 18.937386 1 3576 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 94.53 24.890167 -0.52574694 20.792229 1 3577 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 93.75 23.809063 0.23558176 21.56862 1 3578 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 92.19 22.434183 -0.19797857 21.07637 1 3579 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 91.02 23.950605 0.016109074 23.06295 1 3580 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 93.75 27.876545 -2.0094652 20.602406 1 3581 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 93.75 28.731562 -2.8544571 19.76837 1 3582 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 94.14 28.4454 -4.3147993 20.105358 1 3583 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 93.75 28.383596 -4.6901426 21.269335 1 3584 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 92.58 30.225866 -2.5545218 19.999477 1 3585 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 90.62 30.52914 -1.0788271 19.730015 1 3586 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 90.23 31.088245 -3.4510696 19.099615 1 3587 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 85.16 31.950928 -0.6674187 20.10941 1 3588 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 93.75 28.24213 -5.1259375 19.069313 1 3589 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 93.36 28.014027 -6.5559998 19.253807 1 3590 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 93.36 28.716385 -7.3098054 18.12796 1 3591 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 92.97 28.89635 -6.774043 17.03202 1 3592 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 93.36 26.528381 -6.881415 19.266335 1 3593 +ATOM N N . THR C0 3 35 . 35 THR C0 N 92.19 29.124966 -8.544183 18.407387 1 3594 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 91.8 29.76403 -9.381069 17.398487 1 3595 +ATOM C C . THR C0 3 35 . 35 THR C0 C 92.19 28.888834 -10.60568 17.151134 1 3596 +ATOM O O . THR C0 3 35 . 35 THR C0 O 91.41 28.577232 -11.349913 18.072544 1 3597 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 90.62 31.167206 -9.8120365 17.845654 1 3598 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 87.89 31.974297 -8.657986 18.07645 1 3599 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 86.72 31.827425 -10.690851 16.79091 1 3600 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 92.58 28.479944 -10.790864 15.898174 1 3601 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 92.19 27.650692 -11.924292 15.503937 1 3602 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 91.41 28.354012 -12.619611 14.342606 1 3603 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 90.23 28.563635 -12.016987 13.287271 1 3604 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 91.41 26.237034 -11.471916 15.082078 1 3605 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 89.06 25.415478 -12.665892 14.627415 1 3606 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 87.89 25.534386 -10.75305 16.23537 1 3607 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 89.06 28.725382 -13.884691 14.545551 1 3608 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 88.28 29.415136 -14.681875 13.533538 1 3609 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 89.06 30.63637 -13.925859 12.989922 1 3610 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 87.11 30.822754 -13.788803 11.7762575 1 3611 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 86.72 28.455193 -15.04381 12.392292 1 3612 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 83.2 29.006731 -16.127415 11.492695 1 3613 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 80.08 29.895624 -16.881187 11.938889 1 3614 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 77.73 28.54728 -16.224926 10.331412 1 3615 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 90.23 31.448587 -13.419161 13.889101 1 3616 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 89.84 32.68473 -12.697119 13.6034155 1 3617 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 90.62 32.47811 -11.329121 12.962547 1 3618 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 89.45 33.45124 -10.669127 12.598787 1 3619 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 87.89 33.63104 -13.5361805 12.727328 1 3620 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 83.2 34.08938 -14.831612 13.384271 1 3621 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 79.69 35.088654 -15.558828 12.487396 1 3622 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 75.39 35.566216 -16.839926 13.157801 1 3623 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 71.48 36.541336 -17.553307 12.30516 1 3624 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 92.58 31.235151 -10.903127 12.80203 1 3625 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 92.97 30.94601 -9.599175 12.228909 1 3626 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 92.97 30.614122 -8.61237 13.34729 1 3627 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 92.19 29.740665 -8.879743 14.177898 1 3628 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 92.19 29.771896 -9.681612 11.24859 1 3629 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 91.02 29.339336 -8.354927 10.613555 1 3630 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 89.06 28.026306 -8.518897 9.869772 1 3631 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 87.89 30.425001 -7.841639 9.675269 1 3632 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 93.36 31.314175 -7.4827795 13.360292 1 3633 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 93.36 31.041584 -6.4622107 14.360681 1 3634 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 94.14 29.887167 -5.5772505 13.907879 1 3635 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 93.75 29.921494 -5.0021467 12.818901 1 3636 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 91.8 32.28718 -5.6052303 14.615825 1 3637 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 88.67 32.089058 -4.5759983 15.721592 1 3638 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 86.33 33.345196 -3.7671585 15.993197 1 3639 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 83.2 34.105637 -4.1261396 16.913445 1 3640 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 82.03 33.57376 -2.7755847 15.274059 1 3641 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 94.14 28.860954 -5.486423 14.736339 1 3642 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 94.53 27.706573 -4.6437817 14.470804 1 3643 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 94.14 27.78445 -3.4148679 15.36145 1 3644 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 93.75 28.197994 -3.5055344 16.51791 1 3645 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 94.92 26.404175 -5.4004607 14.748748 1 3646 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 94.53 26.245205 -6.771286 14.079778 1 3647 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 92.58 24.914186 -7.394618 14.480759 1 3648 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 91.41 26.352835 -6.6595035 12.571165 1 3649 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 94.53 27.397602 -2.2706227 14.822415 1 3650 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 94.14 27.457355 -1.0189593 15.565113 1 3651 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 94.92 26.12968 -0.27681503 15.515696 1 3652 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 94.14 25.408163 -0.35210282 14.51879 1 3653 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 93.36 28.575588 -0.11791199 15.019693 1 3654 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 89.45 29.961514 -0.7241844 15.130254 1 3655 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 86.72 31.009136 0.22139484 14.561159 1 3656 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 82.03 32.398663 -0.38349107 14.681423 1 3657 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 78.52 33.424965 0.5079391 14.113654 1 3658 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 94.14 25.832623 0.43802717 16.572395 1 3659 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 94.53 24.620079 1.2391376 16.632763 1 3660 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 94.53 24.673782 2.2008069 17.801311 1 3661 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 93.75 25.663101 2.2627707 18.528967 1 3662 +ATOM N N . THR C0 3 44 . 44 THR C0 N 94.53 23.59299 2.9927971 17.963245 1 3663 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 94.53 23.487038 3.918045 19.083641 1 3664 +ATOM C C . THR C0 3 44 . 44 THR C0 C 94.53 22.09802 3.8109818 19.700687 1 3665 +ATOM O O . THR C0 3 44 . 44 THR C0 O 94.14 21.162306 3.3080642 19.071274 1 3666 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 93.36 23.736275 5.382 18.65553 1 3667 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 90.23 22.78535 5.7462525 17.64546 1 3668 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 88.67 25.145853 5.5666685 18.120663 1 3669 +ATOM N N . SER C0 3 45 . 45 SER C0 N 94.53 21.979122 4.27111 20.931225 1 3670 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 94.53 20.705261 4.1943684 21.634792 1 3671 +ATOM C C . SER C0 3 45 . 45 SER C0 C 94.53 20.5969 5.3137655 22.663132 1 3672 +ATOM O O . SER C0 3 45 . 45 SER C0 O 93.75 21.610409 5.769456 23.20592 1 3673 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 93.75 20.559683 2.8403876 22.3283 1 3674 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 92.19 19.38415 2.7805219 23.109154 1 3675 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 94.14 19.355232 5.741386 22.932434 1 3676 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 93.75 19.119019 6.729087 23.984468 1 3677 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 93.75 19.16756 6.072291 25.359337 1 3678 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 92.97 19.253424 6.7677426 26.37259 1 3679 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 92.58 17.749214 7.404936 23.800323 1 3680 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 89.06 17.693344 8.298081 22.576931 1 3681 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 86.33 18.68261 9.022501 22.321165 1 3682 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 84.77 16.657562 8.288942 21.883543 1 3683 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 93.75 19.109154 4.751955 25.378958 1 3684 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 93.75 19.125067 3.991558 26.62939 1 3685 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 94.14 20.498798 3.3873415 26.859024 1 3686 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 92.97 21.22313 3.0829072 25.910252 1 3687 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 92.58 18.067142 2.8862495 26.593925 1 3688 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 90.62 16.649813 3.3922753 26.394938 1 3689 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 88.67 15.658419 2.2451692 26.368313 1 3690 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 85.16 14.2265625 2.7257206 26.224316 1 3691 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 82.03 13.989195 3.3965974 24.927649 1 3692 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 93.75 20.8517 3.204204 28.137608 1 3693 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 93.36 22.15194 2.6390114 28.471771 1 3694 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 93.36 22.057323 1.1909931 28.961666 1 3695 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 92.97 22.997326 0.6723937 29.54721 1 3696 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 92.19 22.856256 3.4995508 29.532288 1 3697 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 90.62 22.140835 3.4958122 30.88443 1 3698 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 87.89 21.048523 2.951365 31.03579 1 3699 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 86.33 22.763357 4.1197124 31.874779 1 3700 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 94.14 20.903212 0.5361049 28.688555 1 3701 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 94.14 20.699593 -0.83356607 29.157173 1 3702 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 94.14 21.049477 -1.8915242 28.108307 1 3703 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 93.36 20.92404 -3.081616 28.370705 1 3704 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 93.75 19.258976 -1.0201939 29.63491 1 3705 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 92.97 18.24757 -0.93222785 28.512077 1 3706 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 91.02 18.560282 -0.51790327 27.396133 1 3707 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 89.84 17.01313 -1.316818 28.793629 1 3708 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 94.14 21.475742 -1.4956262 26.93341 1 3709 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 94.92 21.826138 -2.430379 25.874115 1 3710 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 95.31 20.78262 -2.575511 24.784313 1 3711 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 94.53 21.02835 -3.2564645 23.784588 1 3712 +ATOM N N . SER C0 3 51 . 51 SER C0 N 94.92 19.607155 -1.9645305 24.936636 1 3713 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 95.31 18.565716 -2.053316 23.928219 1 3714 +ATOM C C . SER C0 3 51 . 51 SER C0 C 94.92 18.887665 -1.1129096 22.763634 1 3715 +ATOM O O . SER C0 3 51 . 51 SER C0 O 94.53 19.547895 -0.08836958 22.940987 1 3716 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 94.92 17.198074 -1.7062461 24.526608 1 3717 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 92.19 17.15302 -0.36198068 24.95459 1 3718 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 94.92 18.416874 -1.4873941 21.565771 1 3719 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 94.92 18.660955 -0.65566957 20.402914 1 3720 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 95.7 18.832718 -1.4745145 19.141287 1 3721 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 95.31 18.499134 -2.6582596 19.092234 1 3722 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 94.14 19.332235 -0.8202228 18.101276 1 3723 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 94.14 19.532143 -1.4616922 16.809256 1 3724 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 94.53 21.000248 -1.3467642 16.406399 1 3725 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 94.14 21.596256 -0.27005306 16.523685 1 3726 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 92.97 18.63913 -0.8102303 15.723825 1 3727 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 91.41 18.895008 -1.4534429 14.370636 1 3728 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 90.62 17.171932 -0.9355179 16.101265 1 3729 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 95.31 21.583595 -2.457559 15.9574375 1 3730 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 95.31 22.964842 -2.4900563 15.505853 1 3731 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 95.31 23.011005 -3.0313911 14.084906 1 3732 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 94.92 22.239319 -3.9273207 13.735645 1 3733 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 95.31 23.826221 -3.3699129 16.413853 1 3734 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 94.53 23.930225 -2.9826198 17.893528 1 3735 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 92.97 25.23713 -3.4948542 18.482967 1 3736 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 92.19 22.737324 -3.5376654 18.666542 1 3737 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 94.92 23.903378 -2.496758 13.269418 1 3738 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 94.53 24.004906 -2.9197056 11.884753 1 3739 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 94.92 25.453453 -3.1539493 11.460714 1 3740 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 94.53 26.372488 -2.565055 12.028437 1 3741 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 93.36 23.368488 -1.8776033 10.953133 1 3742 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 89.84 21.877241 -1.6886107 11.174547 1 3743 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 87.11 21.26039 -0.70334285 10.20367 1 3744 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 84.38 20.02385 -0.7215956 10.0309305 1 3745 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 83.98 22.007494 0.09289709 9.602852 1 3746 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 94.53 25.6231 -4.001089 10.448069 1 3747 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 94.53 26.941158 -4.2822647 9.898965 1 3748 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 94.53 26.81517 -4.7989235 8.478582 1 3749 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 94.14 25.721235 -5.136489 8.02639 1 3750 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 93.75 27.940289 -4.863355 7.7585444 1 3751 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 94.14 27.959465 -5.317886 6.371951 1 3752 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 93.75 28.987741 -6.4372244 6.2147503 1 3753 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 93.36 30.138615 -6.2927923 6.6370773 1 3754 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 93.36 28.295294 -4.161898 5.40244 1 3755 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 91.41 28.276957 -4.6533012 3.9580278 1 3756 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 90.62 27.317627 -3.0092452 5.5886526 1 3757 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 92.97 28.55848 -7.5548363 5.60052 1 3758 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 93.36 29.4589 -8.675645 5.358424 1 3759 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 93.36 30.319674 -8.425125 4.1148567 1 3760 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 92.58 30.077503 -7.488825 3.3469124 1 3761 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 92.58 28.663708 -9.967833 5.179696 1 3762 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 90.62 27.936466 -10.424641 6.4286575 1 3763 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 88.67 27.256971 -11.771189 6.175318 1 3764 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 86.33 26.590055 -12.288934 7.433759 1 3765 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 83.98 25.964981 -13.612919 7.2027626 1 3766 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 91.41 31.323954 -9.2800045 3.9085264 1 3767 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 90.62 32.224525 -9.144662 2.7618198 1 3768 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 91.02 31.480885 -9.252624 1.432278 1 3769 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 89.84 31.859894 -8.609423 0.44926506 1 3770 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 89.84 33.325054 -10.196891 2.841354 1 3771 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 90.23 30.411648 -10.081203 1.3776937 1 3772 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 89.84 29.647905 -10.244995 0.14757273 1 3773 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 90.23 28.595211 -9.147455 -0.029617544 1 3774 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 89.45 27.72797 -9.264927 -0.8966813 1 3775 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 89.06 28.986969 -11.629256 0.101420164 1 3776 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 88.67 27.926102 -11.826147 1.1684933 1 3777 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 87.89 27.69922 -10.900492 1.9772135 1 3778 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 85.94 27.312096 -12.912436 1.1990635 1 3779 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 91.02 28.688847 -8.106652 0.78434116 1 3780 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 90.62 27.786152 -6.948657 0.7718217 1 3781 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 91.41 26.425226 -7.2101398 1.4155349 1 3782 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 90.62 25.570711 -6.3207855 1.4185923 1 3783 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 89.06 27.602861 -6.4011745 -0.6512937 1 3784 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 85.16 28.901573 -5.99879 -1.3332067 1 3785 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 81.64 29.608013 -4.863982 -0.5619567 1 3786 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 77.73 30.858248 -4.4165115 -1.3091455 1 3787 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 73.83 31.561396 -3.3362808 -0.57365143 1 3788 +ATOM N N . SER C0 3 62 . 62 SER C0 N 91.8 26.217232 -8.435387 1.931222 1 3789 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 91.8 24.988644 -8.70476 2.6718926 1 3790 +ATOM C C . SER C0 3 62 . 62 SER C0 C 92.97 25.001307 -7.828263 3.9200852 1 3791 +ATOM O O . SER C0 3 62 . 62 SER C0 O 92.19 26.065575 -7.563897 4.4970107 1 3792 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 90.62 24.890228 -10.176333 3.0705118 1 3793 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 88.67 24.807404 -11.0160475 1.9448738 1 3794 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 93.36 23.841148 -7.398153 4.3433475 1 3795 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 93.75 23.748444 -6.51468 5.503416 1 3796 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 94.14 23.057182 -7.22209 6.664302 1 3797 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 93.75 22.096157 -7.9686146 6.4604845 1 3798 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 92.19 23.01576 -5.222023 5.1274023 1 3799 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 89.84 23.741238 -4.4650364 4.026913 1 3800 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 87.5 23.036882 -3.1833131 3.6246204 1 3801 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 83.98 23.807453 -2.4875875 2.5099912 1 3802 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 80.47 23.145561 -1.2546048 2.0746233 1 3803 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 94.92 23.568802 -6.9996758 7.868947 1 3804 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 94.92 23.060415 -7.6489477 9.06785 1 3805 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 95.31 22.51598 -6.595868 10.027332 1 3806 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 94.53 23.143326 -5.5556335 10.242794 1 3807 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 94.53 24.156128 -8.479782 9.765499 1 3808 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 92.97 23.597754 -9.196335 10.98206 1 3809 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 92.19 24.76496 -9.475541 8.78752 1 3810 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 94.53 21.35402 -6.8855963 10.602032 1 3811 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 94.53 20.714626 -5.9662266 11.536821 1 3812 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 94.92 20.282648 -6.729288 12.781616 1 3813 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 94.53 19.581856 -7.7388773 12.682402 1 3814 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 93.75 19.500546 -5.2954993 10.883637 1 3815 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 91.41 18.777996 -4.301056 11.777744 1 3816 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 89.84 17.60851 -3.6790173 11.030901 1 3817 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 86.72 16.865582 -2.6715126 11.898653 1 3818 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 84.38 15.740739 -2.0693667 11.162019 1 3819 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 95.31 20.739107 -6.268607 13.937828 1 3820 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 95.31 20.374874 -6.87049 15.214832 1 3821 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 95.31 19.527847 -5.876703 15.995135 1 3822 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 94.92 19.97664 -4.7504835 16.268257 1 3823 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 95.31 21.629833 -7.2379875 16.02267 1 3824 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 94.53 21.385424 -7.7543936 17.447021 1 3825 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 92.97 22.71549 -7.8970838 18.184372 1 3826 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 92.19 20.64267 -9.08531 17.425083 1 3827 +ATOM N N . THR C0 3 67 . 67 THR C0 N 94.92 18.303741 -6.270955 16.323381 1 3828 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 94.53 17.412983 -5.4163184 17.099344 1 3829 +ATOM C C . THR C0 3 67 . 67 THR C0 C 95.31 17.248821 -6.009452 18.495972 1 3830 +ATOM O O . THR C0 3 67 . 67 THR C0 O 94.92 16.887825 -7.177314 18.6386 1 3831 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 94.14 16.035492 -5.2867646 16.420395 1 3832 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 92.19 16.20286 -4.756984 15.09771 1 3833 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 91.8 15.117899 -4.361264 17.217112 1 3834 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 95.7 17.549156 -5.2070932 19.50568 1 3835 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 95.7 17.44093 -5.626911 20.898863 1 3836 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 94.92 16.256615 -4.887603 21.523643 1 3837 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 94.92 16.224691 -3.6527877 21.515007 1 3838 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 95.7 18.737253 -5.303498 21.673704 1 3839 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 94.53 19.944038 -5.9030223 20.943819 1 3840 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 94.14 18.636456 -5.820222 23.105896 1 3841 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 92.58 21.285217 -5.3516183 21.411362 1 3842 +ATOM N N . SER C0 3 69 . 69 SER C0 N 95.7 15.270017 -5.63517 22.048647 1 3843 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 95.31 14.072808 -5.035443 22.617002 1 3844 +ATOM C C . SER C0 3 69 . 69 SER C0 C 95.31 14.397929 -4.18134 23.842245 1 3845 +ATOM O O . SER C0 3 69 . 69 SER C0 O 94.53 15.415913 -4.3792706 24.50557 1 3846 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 94.53 13.053289 -6.1126413 22.992281 1 3847 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 92.58 13.56918 -6.9839964 23.98738 1 3848 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 94.92 13.51647 -3.2205663 24.134499 1 3849 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 94.53 13.722513 -2.2898164 25.240719 1 3850 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 94.92 13.899547 -2.9951537 26.58565 1 3851 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 93.75 14.686169 -2.5421402 27.416122 1 3852 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 93.36 12.55887 -1.2943977 25.333492 1 3853 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 89.45 12.572868 -0.27318883 24.209507 1 3854 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 86.72 13.59019 -0.16694397 23.493029 1 3855 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 85.16 11.555418 0.43749288 24.04374 1 3856 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 94.14 13.165943 -4.110896 26.79809 1 3857 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 94.14 13.269864 -4.8378134 28.059994 1 3858 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 94.14 14.341291 -5.9251447 28.019703 1 3859 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 93.36 14.456385 -6.704424 28.959156 1 3860 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 93.36 11.913004 -5.4369364 28.45595 1 3861 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 92.19 11.416073 -6.4885 27.47694 1 3862 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 90.62 12.099552 -6.7622037 26.46447 1 3863 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 89.06 10.328957 -7.05166 27.721193 1 3864 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 94.53 15.103838 -5.988832 26.933487 1 3865 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 94.53 16.164804 -6.970075 26.714966 1 3866 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 94.14 15.649702 -8.407389 26.672495 1 3867 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 93.36 16.434753 -9.353242 26.772112 1 3868 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 94.14 17.262375 -6.8541465 27.78823 1 3869 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 93.75 17.869461 -5.4679265 28.000816 1 3870 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 91.8 18.980062 -5.5486937 29.045433 1 3871 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 90.62 18.412542 -4.9228053 26.691477 1 3872 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 94.53 14.330007 -8.569615 26.496101 1 3873 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 94.53 13.72909 -9.893213 26.498459 1 3874 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 94.53 13.662352 -10.5688 25.143124 1 3875 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 94.14 13.243862 -11.723831 25.044085 1 3876 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 95.7 14.066182 -9.880184 24.093155 1 3877 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 95.31 13.999851 -10.453266 22.750738 1 3878 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 95.7 15.033063 -9.819344 21.827242 1 3879 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 95.7 15.3136635 -8.61544 21.93045 1 3880 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 94.53 12.592783 -10.259226 22.174755 1 3881 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 92.19 12.373281 -10.897131 20.822548 1 3882 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 90.62 10.953237 -10.726061 20.325298 1 3883 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 87.5 10.043987 -11.445947 20.750599 1 3884 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 86.33 10.741665 -9.748585 19.459717 1 3885 +ATOM N N . THR C0 3 75 . 75 THR C0 N 95.31 15.600391 -10.642984 20.943092 1 3886 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 95.31 16.497581 -10.138872 19.915539 1 3887 +ATOM C C . THR C0 3 75 . 75 THR C0 C 95.31 15.999787 -10.610734 18.557423 1 3888 +ATOM O O . THR C0 3 75 . 75 THR C0 O 95.31 15.430168 -11.703135 18.438206 1 3889 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 94.92 17.952469 -10.611561 20.102968 1 3890 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 92.58 18.008392 -12.041149 20.035248 1 3891 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 91.8 18.520638 -10.141922 21.435493 1 3892 +ATOM N N . THR C0 3 76 . 76 THR C0 N 94.92 16.185879 -9.769493 17.539202 1 3893 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 94.92 15.828811 -10.120096 16.174002 1 3894 +ATOM C C . THR C0 3 76 . 76 THR C0 C 95.31 17.077421 -9.913642 15.317386 1 3895 +ATOM O O . THR C0 3 76 . 76 THR C0 O 95.31 17.598999 -8.794158 15.242541 1 3896 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 94.53 14.679531 -9.241846 15.645521 1 3897 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 92.19 13.52113 -9.423373 16.472294 1 3898 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 92.19 14.3294115 -9.6183 14.212267 1 3899 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 94.53 17.557032 -10.999599 14.707507 1 3900 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 94.92 18.735355 -10.941549 13.856155 1 3901 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 94.92 18.298256 -11.15278 12.407878 1 3902 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 94.53 17.75697 -12.20841 12.062916 1 3903 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 94.92 19.758419 -12.010468 14.258251 1 3904 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 94.14 21.070053 -12.018388 13.472186 1 3905 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 92.19 21.887896 -13.252033 13.821843 1 3906 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 91.8 21.869856 -10.752069 13.735458 1 3907 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 94.53 18.50612 -10.152702 11.573912 1 3908 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 94.53 18.090504 -10.210322 10.18576 1 3909 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 94.53 19.27615 -10.02972 9.245346 1 3910 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 94.53 20.174318 -9.2248 9.507793 1 3911 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 93.75 17.03804 -9.127519 9.887068 1 3912 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 92.19 15.734154 -9.3110485 10.651647 1 3913 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 91.41 14.81107 -8.117397 10.541314 1 3914 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 89.45 13.722002 -8.244642 9.945491 1 3915 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 89.45 15.180458 -7.0425076 11.050638 1 3916 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 94.14 19.270653 -10.796709 8.146709 1 3917 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 94.14 20.29529 -10.6761265 7.115915 1 3918 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 93.75 19.589489 -10.281125 5.8286014 1 3919 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 93.36 18.581964 -10.895109 5.4539804 1 3920 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 93.75 21.079746 -11.989851 6.9170914 1 3921 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 92.19 22.14522 -11.812201 5.8435874 1 3922 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 91.8 21.709158 -12.433441 8.2355385 1 3923 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 93.36 20.093527 -9.25801 5.157571 1 3924 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 92.97 19.492998 -8.727015 3.946165 1 3925 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 92.97 20.438328 -8.854147 2.7526855 1 3926 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 92.19 21.655746 -8.965786 2.9206998 1 3927 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 92.58 19.151913 -7.240961 4.1210546 1 3928 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 92.19 18.227734 -6.941178 5.26443 1 3929 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 91.02 18.734982 -6.7443013 6.539836 1 3930 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 90.23 16.865108 -6.849128 5.0666065 1 3931 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 89.45 17.886566 -6.464427 7.602129 1 3932 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 89.06 16.01602 -6.567958 6.1173697 1 3933 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 89.45 16.523756 -6.373082 7.3918643 1 3934 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 90.23 19.846096 -8.798077 1.5415297 1 3935 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 89.84 20.66351 -8.728414 0.34012944 1 3936 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 89.84 21.352255 -7.365257 0.3269905 1 3937 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 88.67 21.095428 -6.512374 1.1795647 1 3938 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 88.67 19.797768 -8.907866 -0.91148496 1 3939 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 87.11 19.22827 -10.319438 -1.0484601 1 3940 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 85.55 18.283371 -10.437668 -2.2403374 1 3941 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 82.81 19.022682 -10.372404 -3.5609722 1 3942 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 80.86 18.11904 -10.651534 -4.704115 1 3943 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 88.67 22.222103 -7.127183 -0.6639515 1 3944 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 87.5 22.99347 -5.883848 -0.6863804 1 3945 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 87.5 22.140583 -4.6267877 -0.8012242 1 3946 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 85.94 22.624596 -3.5376997 -0.4981406 1 3947 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 85.55 24.03958 -5.9206743 -1.8087287 1 3948 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 82.42 23.480947 -5.9930162 -3.2159948 1 3949 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 79.69 24.591595 -6.0205235 -4.2526045 1 3950 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 76.56 24.83014 -7.0955477 -4.835966 1 3951 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 76.17 25.244171 -4.980013 -4.458231 1 3952 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 87.11 20.861835 -4.759524 -1.219418 1 3953 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 87.11 20.002323 -3.584546 -1.2965395 1 3954 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 86.72 19.609545 -3.0980365 0.103658244 1 3955 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 85.94 19.0536 -2.0127234 0.2536713 1 3956 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 86.72 18.750021 -3.8468542 -2.142946 1 3957 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 85.94 17.930058 -5.0389233 -1.6595597 1 3958 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 84.77 17.809341 -5.2377105 -0.42688334 1 3959 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 83.2 17.403463 -5.7758102 -2.515206 1 3960 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 89.45 19.920181 -3.90538 1.1140245 1 3961 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 89.45 19.656918 -3.5440764 2.4926887 1 3962 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 89.84 18.207314 -3.6391504 2.9162667 1 3963 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 89.06 17.85503 -3.21842 4.0262823 1 3964 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 90.62 17.363617 -4.209285 2.0611045 1 3965 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 90.62 15.935938 -4.3048077 2.3438528 1 3966 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 89.84 15.357201 -5.6937037 2.1322837 1 3967 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 88.67 14.4802475 -6.1165466 2.8861537 1 3968 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 89.84 15.163641 -3.2838268 1.4865191 1 3969 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 89.06 15.588241 -1.8401366 1.7356418 1 3970 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 88.28 14.949652 -0.8977427 0.7277086 1 3971 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 86.72 15.468605 0.5193635 0.9152147 1 3972 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 84.77 14.922497 1.4271977 -0.104345135 1 3973 +ATOM N N . THR C0 3 86 . 86 THR C0 N 90.23 15.825253 -6.4111605 1.1023861 1 3974 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 90.62 15.304697 -7.7359962 0.7946962 1 3975 +ATOM C C . THR C0 3 86 . 86 THR C0 C 91.02 15.839609 -8.747164 1.8111761 1 3976 +ATOM O O . THR C0 3 86 . 86 THR C0 O 90.23 17.048126 -8.957592 1.9088752 1 3977 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 89.45 15.700024 -8.16679 -0.6237605 1 3978 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 87.89 15.264381 -7.1783504 -1.557188 1 3979 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 87.11 15.074575 -9.511827 -0.97579265 1 3980 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 92.19 14.9214 -9.404028 2.5316067 1 3981 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 92.19 15.293659 -10.311386 3.617186 1 3982 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 92.19 15.785952 -11.662537 3.0977564 1 3983 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 91.8 15.180864 -12.253565 2.2006989 1 3984 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 91.41 14.093685 -10.507315 4.546789 1 3985 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 90.62 14.34248 -11.128635 5.923434 1 3986 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 89.06 13.014881 -11.217428 6.6695023 1 3987 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 88.28 15.361774 -10.326406 6.708447 1 3988 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 92.58 16.884336 -12.131561 3.6757162 1 3989 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 92.58 17.458618 -13.433884 3.34633 1 3990 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 92.97 17.172829 -14.416006 4.478672 1 3991 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 92.58 16.80679 -15.565308 4.227698 1 3992 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 91.8 18.979313 -13.32789 3.105949 1 3993 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 90.23 19.586792 -14.711284 2.9287777 1 3994 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 89.06 19.266346 -12.441753 1.8937998 1 3995 +ATOM N N . SER C0 3 89 . 89 SER C0 N 93.75 17.3454 -13.982244 5.7134647 1 3996 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 93.75 17.063913 -14.81625 6.873449 1 3997 +ATOM C C . SER C0 3 89 . 89 SER C0 C 94.14 16.688786 -13.94466 8.061071 1 3998 +ATOM O O . SER C0 3 89 . 89 SER C0 O 93.75 17.032267 -12.754707 8.110451 1 3999 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 93.36 18.262497 -15.699656 7.2343693 1 4000 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 91.8 19.359484 -14.930452 7.668186 1 4001 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 94.14 15.974224 -14.560375 9.013526 1 4002 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 93.75 15.525879 -13.840845 10.201031 1 4003 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 94.14 15.436139 -14.802561 11.374231 1 4004 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 93.75 14.88949 -15.902784 11.231438 1 4005 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 92.97 14.154454 -13.191311 9.950298 1 4006 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 91.41 13.562976 -12.482877 11.159513 1 4007 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 89.84 12.177082 -11.945123 10.829968 1 4008 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 87.5 11.547867 -11.231517 12.027332 1 4009 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 85.16 10.206562 -10.736023 11.701288 1 4010 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 94.53 15.984489 -14.402155 12.5161085 1 4011 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 94.53 15.909266 -15.218514 13.716765 1 4012 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 94.92 15.495928 -14.361007 14.8980255 1 4013 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 94.53 16.139418 -13.350248 15.196096 1 4014 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 94.14 17.252806 -15.903025 14.019682 1 4015 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 92.19 17.176802 -16.850471 15.215495 1 4016 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 90.23 18.481647 -17.60763 15.413776 1 4017 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 87.89 18.359684 -18.606194 16.563519 1 4018 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 85.16 19.605698 -19.371675 16.745857 1 4019 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 94.92 14.398264 -14.757103 15.536496 1 4020 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 94.92 13.899858 -14.056486 16.719334 1 4021 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 94.92 14.102583 -14.973073 17.915848 1 4022 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 94.53 13.6663265 -16.125067 17.898842 1 4023 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 94.53 12.404498 -13.697626 16.583288 1 4024 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 92.97 11.918993 -12.970129 17.83234 1 4025 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 92.58 12.17255 -12.848679 15.336334 1 4026 +ATOM N N . THR C0 3 93 . 93 THR C0 N 94.92 14.785582 -14.487589 18.932781 1 4027 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 94.92 15.059337 -15.276655 20.12548 1 4028 +ATOM C C . THR C0 3 93 . 93 THR C0 C 94.92 14.490927 -14.567246 21.352169 1 4029 +ATOM O O . THR C0 3 93 . 93 THR C0 O 94.53 14.724591 -13.373601 21.55001 1 4030 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 94.53 16.570166 -15.497351 20.308952 1 4031 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 91.8 17.112797 -16.085836 19.133022 1 4032 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 91.41 16.849634 -16.406004 21.503872 1 4033 +ATOM N N . SER C0 3 94 . 94 SER C0 N 94.92 13.734066 -15.325202 22.157742 1 4034 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 94.53 13.103183 -14.7815485 23.358171 1 4035 +ATOM C C . SER C0 3 94 . 94 SER C0 C 94.14 13.913749 -15.12962 24.606379 1 4036 +ATOM O O . SER C0 3 94 . 94 SER C0 O 93.36 14.697563 -16.076138 24.611153 1 4037 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 93.75 11.676195 -15.304113 23.491646 1 4038 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 89.84 11.052056 -14.821454 24.665335 1 4039 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 93.36 13.687816 -14.375319 25.66963 1 4040 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 92.58 14.3873005 -14.594874 26.9267 1 4041 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 92.58 14.076312 -15.964699 27.524193 1 4042 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 91.41 14.874792 -16.513206 28.294575 1 4043 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 91.41 14.030271 -13.486927 27.930546 1 4044 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 87.89 14.917723 -13.445637 29.160267 1 4045 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 84.38 14.633665 -12.198854 29.983477 1 4046 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 80.86 15.598647 -12.0934105 31.150703 1 4047 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 77.34 15.402754 -10.844082 31.905735 1 4048 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 92.19 12.908815 -16.552235 27.18056 1 4049 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 92.19 12.531242 -17.86353 27.70755 1 4050 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 92.19 13.166094 -19.010838 26.92652 1 4051 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 91.41 12.762476 -20.160944 27.070192 1 4052 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 91.8 11.003239 -18.012589 27.739202 1 4053 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 91.41 10.370449 -18.08739 26.360836 1 4054 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 90.23 11.088757 -17.946507 25.347038 1 4055 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 89.06 9.142255 -18.286991 26.28392 1 4056 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 92.58 14.134563 -18.701996 26.077358 1 4057 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 92.19 14.900589 -19.654188 25.255116 1 4058 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 93.36 14.18338 -20.099852 23.983688 1 4059 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 92.97 14.749424 -20.867733 23.196142 1 4060 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 90.62 15.31738 -20.88477 26.065092 1 4061 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 86.72 16.037788 -20.55917 27.368597 1 4062 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 82.81 17.331188 -19.779728 27.130556 1 4063 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 78.12 18.055183 -19.53532 28.44283 1 4064 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 73.44 19.281929 -18.72993 28.243032 1 4065 +ATOM N N . SER C0 3 98 . 98 SER C0 N 94.14 12.9453535 -19.65126 23.753084 1 4066 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 94.53 12.250877 -20.005428 22.524141 1 4067 +ATOM C C . SER C0 3 98 . 98 SER C0 C 94.53 12.789406 -19.147524 21.378216 1 4068 +ATOM O O . SER C0 3 98 . 98 SER C0 O 94.14 13.298916 -18.04599 21.591486 1 4069 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 93.75 10.737825 -19.801199 22.668089 1 4070 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 91.8 10.413282 -18.441666 22.86522 1 4071 +ATOM N N . SER C0 3 99 . 99 SER C0 N 94.53 12.685897 -19.699514 20.156551 1 4072 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 94.53 13.159313 -18.953903 18.99979 1 4073 +ATOM C C . SER C0 3 99 . 99 SER C0 C 94.92 12.4335785 -19.387497 17.73233 1 4074 +ATOM O O . SER C0 3 99 . 99 SER C0 O 94.53 11.866833 -20.480427 17.666225 1 4075 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 94.14 14.670622 -19.123055 18.806833 1 4076 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 92.97 14.985818 -20.443346 18.417528 1 4077 +ATOM N N . THR C0 3 100 . 100 THR C0 N 94.92 12.429676 -18.486326 16.740448 1 4078 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 94.53 11.884551 -18.785906 15.424995 1 4079 +ATOM C C . THR C0 3 100 . 100 THR C0 C 94.92 12.931622 -18.351097 14.404026 1 4080 +ATOM O O . THR C0 3 100 . 100 THR C0 O 94.53 13.360085 -17.191513 14.411471 1 4081 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 94.14 10.565071 -18.034775 15.164582 1 4082 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 91.8 9.595856 -18.42356 16.141941 1 4083 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 91.02 10.026616 -18.358927 13.778938 1 4084 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 94.92 13.350985 -19.293695 13.5669155 1 4085 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 94.92 14.363089 -19.016466 12.55083 1 4086 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 94.92 13.774295 -19.2968 11.171499 1 4087 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 94.92 13.191463 -20.359371 10.949623 1 4088 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 94.14 15.609589 -19.875221 12.786745 1 4089 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 91.41 16.74645 -19.58659 11.826335 1 4090 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 89.45 18.036669 -20.277752 12.211861 1 4091 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 86.72 18.031391 -21.106726 13.145933 1 4092 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 86.33 19.080984 -19.98793 11.589427 1 4093 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 94.53 13.91717 -18.341446 10.25915 1 4094 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 94.14 13.353432 -18.466835 8.929728 1 4095 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 94.53 14.376206 -18.140522 7.844472 1 4096 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 94.14 15.231888 -17.27195 8.029997 1 4097 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 93.75 12.147461 -17.526371 8.752052 1 4098 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 92.19 10.972228 -17.829967 9.667549 1 4099 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 92.19 10.000306 -16.673267 9.760333 1 4100 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 90.23 8.866274 -16.79604 9.253865 1 4101 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 90.23 10.379642 -15.635281 10.337744 1 4102 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 93.75 14.272708 -18.838503 6.7204666 1 4103 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 93.75 15.055929 -18.540089 5.526359 1 4104 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 94.14 14.078031 -18.22652 4.413269 1 4105 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 93.75 12.994421 -18.818472 4.345353 1 4106 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 93.36 15.958031 -19.71856 5.1427326 1 4107 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 91.41 17.086655 -19.970718 6.1336746 1 4108 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 89.45 18.00549 -21.088394 5.639016 1 4109 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 86.33 19.133091 -21.33298 6.63125 1 4110 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 83.2 20.0113 -22.440468 6.1935196 1 4111 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 93.36 14.453199 -17.297714 3.5241225 1 4112 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 93.36 13.555132 -16.823158 2.4813015 1 4113 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 92.97 14.128861 -17.055275 1.0851965 1 4114 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 92.58 15.349057 -17.01259 0.89715064 1 4115 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 92.97 13.267429 -15.330009 2.6777613 1 4116 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 92.19 12.668917 -15.012007 4.0202622 1 4117 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 91.02 13.477903 -14.881147 5.140167 1 4118 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 90.23 11.3033085 -14.862068 4.1656604 1 4119 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 89.45 12.920189 -14.612691 6.386041 1 4120 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 89.45 10.748325 -14.585934 5.3993163 1 4121 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 89.84 11.56061 -14.460438 6.515724 1 4122 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 92.97 13.232517 -17.294144 0.11696136 1 4123 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 92.58 13.683306 -17.475525 -1.2569036 1 4124 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 92.58 13.737915 -16.12424 -1.9652215 1 4125 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 91.8 13.484622 -15.0741825 -1.3580779 1 4126 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 91.02 12.788921 -18.469273 -2.0095227 1 4127 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 91.02 11.356746 -17.995525 -2.1801934 1 4128 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 89.84 11.05999 -16.806274 -2.078939 1 4129 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 88.28 10.463025 -18.941925 -2.4635763 1 4130 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 90.23 14.069999 -16.106087 -3.2668486 1 4131 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 89.45 14.2566395 -14.854761 -3.99606 1 4132 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 89.84 12.973097 -14.045834 -4.1573715 1 4133 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 88.67 13.0360155 -12.854166 -4.4495087 1 4134 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 88.67 14.878941 -15.125372 -5.370838 1 4135 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 85.94 14.036814 -16.00916 -6.277936 1 4136 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 83.98 14.7172985 -16.301365 -7.606894 1 4137 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 81.64 15.614181 -15.542728 -7.9931974 1 4138 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 81.25 14.340107 -17.306856 -8.2653885 1 4139 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 90.62 11.788109 -14.67758 -3.9545593 1 4140 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 90.62 10.5177765 -13.966859 -4.0364084 1 4141 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 90.23 10.118019 -13.338667 -2.7006397 1 4142 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 89.06 9.105181 -12.649494 -2.624279 1 4143 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 90.23 9.39834 -14.902397 -4.495064 1 4144 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 89.84 9.545898 -15.419043 -5.9067163 1 4145 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 88.67 8.335051 -16.271816 -6.2734947 1 4146 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 87.11 8.471531 -16.825708 -7.6749115 1 4147 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 85.94 7.2788496 -17.614307 -8.048897 1 4148 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 89.84 10.917655 -13.597298 -1.6607974 1 4149 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 89.84 10.575699 -13.10746 -0.34463504 1 4150 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 89.84 9.635559 -14.032818 0.40605068 1 4151 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 89.45 9.056758 -13.632908 1.4184053 1 4152 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 91.41 9.475716 -15.288033 -0.07668203 1 4153 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 91.41 8.62303 -16.280895 0.56294227 1 4154 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 91.8 9.456961 -17.1122 1.5314673 1 4155 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 91.41 10.600497 -17.450115 1.2355888 1 4156 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 90.23 8.00473 -17.221651 -0.48109877 1 4157 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 88.28 7.231471 -16.509476 -1.5780835 1 4158 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 86.72 6.9858074 -17.400839 -2.7887137 1 4159 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 84.38 6.106431 -17.043758 -3.6005025 1 4160 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 84.38 7.656704 -18.437405 -2.9340065 1 4161 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 92.58 8.873276 -17.45848 2.6645925 1 4162 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 92.58 9.601636 -18.298847 3.6101038 1 4163 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 92.97 9.740226 -19.697357 3.0007553 1 4164 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 92.58 8.76984 -20.26464 2.4903584 1 4165 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 92.19 8.900177 -18.344707 4.9912415 1 4166 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 90.62 9.756577 -19.119022 5.9899616 1 4167 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 89.84 7.5175996 -18.94896 4.88104 1 4168 +ATOM N N . SER C0 3 111 . 111 SER C0 N 94.14 10.967072 -20.228935 2.9976435 1 4169 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 93.75 11.236831 -21.549887 2.4244738 1 4170 +ATOM C C . SER C0 3 111 . 111 SER C0 C 94.53 11.576746 -22.57359 3.5022101 1 4171 +ATOM O O . SER C0 3 111 . 111 SER C0 O 93.75 11.3767605 -23.772861 3.2885537 1 4172 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 92.97 12.385115 -21.468044 1.4133517 1 4173 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 91.02 13.5560055 -20.952244 2.0106666 1 4174 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 94.92 12.086262 -22.132507 4.645829 1 4175 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 94.92 12.395566 -22.989271 5.783342 1 4176 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 94.92 12.033931 -22.253277 7.0620956 1 4177 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 94.53 12.145653 -21.028934 7.1314526 1 4178 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 94.14 13.892946 -23.348074 5.8277664 1 4179 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 91.8 14.383681 -24.120884 4.612167 1 4180 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 90.62 15.864845 -24.466629 4.696714 1 4181 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 88.28 16.474045 -24.745506 3.6480145 1 4182 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 87.89 16.421688 -24.454617 5.8151836 1 4183 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 95.7 11.594876 -23.032248 8.060531 1 4184 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 95.31 11.240822 -22.420288 9.334191 1 4185 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 95.7 11.484478 -23.40362 10.468383 1 4186 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 95.31 11.090727 -24.574463 10.369936 1 4187 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 94.53 9.768616 -21.97488 9.333352 1 4188 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 92.19 9.334466 -21.224606 10.582751 1 4189 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 90.62 7.8915195 -20.763569 10.440359 1 4190 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 87.89 7.443959 -19.949396 11.654516 1 4191 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 85.55 6.059726 -19.486938 11.494407 1 4192 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 95.7 12.159784 -22.946861 11.515122 1 4193 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 95.31 12.421717 -23.77438 12.685586 1 4194 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 95.7 11.9282465 -23.029655 13.916782 1 4195 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 95.31 12.377936 -21.91284 14.1923065 1 4196 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 95.31 13.930867 -24.091492 12.844526 1 4197 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 94.53 14.451264 -24.821781 11.601603 1 4198 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 94.14 14.161991 -24.938572 14.109617 1 4199 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 91.41 15.957325 -25.059135 11.631418 1 4200 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 94.92 10.983758 -23.66033 14.637279 1 4201 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 95.31 10.458738 -23.080608 15.867292 1 4202 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 95.31 11.000699 -23.898869 17.037989 1 4203 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 95.31 10.7381115 -25.09655 17.128183 1 4204 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 94.53 8.919119 -23.097715 15.889555 1 4205 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 92.58 8.362793 -22.30293 14.708779 1 4206 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 92.58 8.403459 -22.544823 17.227394 1 4207 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 90.23 6.861821 -22.448298 14.523572 1 4208 +ATOM N N . THR C0 3 116 . 116 THR C0 N 94.53 11.776249 -23.253819 17.889826 1 4209 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 94.92 12.304286 -23.914135 19.075884 1 4210 +ATOM C C . THR C0 3 116 . 116 THR C0 C 94.53 11.485217 -23.454247 20.277773 1 4211 +ATOM O O . THR C0 3 116 . 116 THR C0 O 94.53 11.392628 -22.252861 20.552124 1 4212 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 94.53 13.790385 -23.573368 19.28878 1 4213 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 92.58 14.54074 -23.981705 18.144257 1 4214 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 91.8 14.336997 -24.28102 20.52849 1 4215 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 94.14 10.863157 -24.42384 20.978888 1 4216 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 93.75 10.055891 -24.10361 22.142818 1 4217 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 93.36 10.940838 -23.893261 23.361774 1 4218 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 92.97 12.114872 -24.277634 23.368225 1 4219 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 93.75 9.052845 -25.218771 22.405952 1 4220 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 92.97 8.064351 -25.42261 21.271797 1 4221 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 92.19 7.416977 -26.777355 21.408823 1 4222 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 91.02 6.366997 -27.018318 20.421383 1 4223 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 90.62 6.118476 -28.204239 19.885708 1 4224 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 89.06 6.853698 -29.260061 20.216217 1 4225 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 89.06 5.133713 -28.33236 19.01125 1 4226 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 93.36 10.367752 -23.303095 24.397778 1 4227 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 92.97 11.131988 -23.028372 25.612394 1 4228 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 92.97 11.703768 -24.300161 26.23843 1 4229 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 92.19 12.757166 -24.253704 26.88158 1 4230 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 92.58 10.257164 -22.289509 26.62053 1 4231 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 92.97 11.009846 -25.444954 26.042683 1 4232 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 92.58 11.473459 -26.70237 26.625427 1 4233 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 92.58 12.501984 -27.427485 25.75412 1 4234 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 92.19 12.924149 -28.529572 26.085453 1 4235 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 92.19 10.29619 -27.632689 26.929794 1 4236 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 92.19 9.52194 -28.053215 25.69581 1 4237 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 91.02 9.967331 -27.763132 24.562065 1 4238 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 89.84 8.455667 -28.675629 25.851145 1 4239 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 93.75 12.908626 -26.814938 24.645336 1 4240 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 92.97 13.925926 -27.391724 23.778286 1 4241 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 93.75 13.407634 -28.225647 22.626514 1 4242 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 93.75 14.179654 -28.59329 21.735643 1 4243 +ATOM N N . THR C0 3 121 . 121 THR C0 N 94.53 12.098335 -28.565075 22.620365 1 4244 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 94.53 11.552201 -29.315933 21.496468 1 4245 +ATOM C C . THR C0 3 121 . 121 THR C0 C 94.92 11.388758 -28.363543 20.31455 1 4246 +ATOM O O . THR C0 3 121 . 121 THR C0 O 94.92 11.321001 -27.139256 20.478857 1 4247 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 94.14 10.199965 -29.971142 21.855196 1 4248 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 92.19 9.257128 -28.956627 22.22361 1 4249 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 91.8 10.364719 -30.943562 23.012695 1 4250 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 95.7 11.30941 -28.959846 19.10449 1 4251 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 95.31 11.282497 -28.122673 17.911379 1 4252 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 95.7 10.2588215 -28.572811 16.87935 1 4253 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 95.31 9.93287 -29.769304 16.79237 1 4254 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 94.92 12.656673 -28.11562 17.230133 1 4255 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 92.19 13.807812 -27.656166 18.104458 1 4256 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 90.23 15.055967 -27.387842 17.275333 1 4257 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 87.5 15.459209 -28.518251 16.435097 1 4258 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 86.33 16.136185 -29.58562 16.87704 1 4259 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 83.98 16.480364 -29.677023 18.154144 1 4260 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 84.38 16.467213 -30.551952 16.030987 1 4261 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 95.7 9.778774 -27.615377 16.101595 1 4262 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 95.7 8.984404 -27.876392 14.913544 1 4263 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 96.09 9.822733 -27.369335 13.744468 1 4264 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 96.09 10.240001 -26.204437 13.736135 1 4265 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 95.31 7.6417246 -27.129824 14.948702 1 4266 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 93.75 6.547143 -27.734331 15.820877 1 4267 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 91.8 5.399134 -26.735743 15.978859 1 4268 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 91.41 6.0476747 -29.026255 15.180456 1 4269 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 96.09 10.096152 -28.250095 12.783394 1 4270 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 96.09 10.92453 -27.891449 11.643398 1 4271 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 96.09 10.137019 -28.036081 10.34716 1 4272 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 95.7 9.478191 -29.056171 10.129285 1 4273 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 95.7 12.1749735 -28.772503 11.582268 1 4274 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 94.14 13.051512 -28.655413 12.8228855 1 4275 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 93.36 14.280552 -29.55493 12.776209 1 4276 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 91.41 15.064936 -29.5307 13.742892 1 4277 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 91.02 14.459338 -30.281013 11.775263 1 4278 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 95.7 10.190154 -27.003736 9.5041485 1 4279 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 95.7 9.494852 -27.010723 8.232478 1 4280 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 95.7 10.492388 -26.783787 7.1016307 1 4281 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 94.92 11.329193 -25.874039 7.1886625 1 4282 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 95.7 8.41296 -25.924377 8.189371 1 4283 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 94.92 7.4305744 -26.01976 9.339964 1 4284 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 92.97 7.49737 -25.138058 10.415211 1 4285 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 92.19 6.439804 -26.99578 9.34598 1 4286 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 91.41 6.595173 -25.221012 11.469262 1 4287 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 91.41 5.5375133 -27.085619 10.394705 1 4288 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 92.97 5.6203184 -26.196466 11.450966 1 4289 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 92.97 4.7314024 -26.282757 12.493158 1 4290 +ATOM N N . THR C0 3 126 . 126 THR C0 N 95.7 10.406811 -27.596954 6.069318 1 4291 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 94.92 11.282494 -27.45494 4.9089212 1 4292 +ATOM C C . THR C0 3 126 . 126 THR C0 C 95.31 10.459412 -27.569004 3.627299 1 4293 +ATOM O O . THR C0 3 126 . 126 THR C0 O 94.53 9.333836 -28.074467 3.6371164 1 4294 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 94.92 12.394104 -28.523483 4.904953 1 4295 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 92.97 11.7950115 -29.827785 4.944727 1 4296 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 92.19 13.324699 -28.35942 6.0961823 1 4297 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 94.92 11.023962 -27.093084 2.5282366 1 4298 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 94.53 10.346585 -27.156147 1.2427635 1 4299 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 94.53 9.012751 -26.440266 1.2362027 1 4300 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 94.14 8.065929 -26.891956 0.5977882 1 4301 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 93.36 8.928294 -25.31279 1.951535 1 4302 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 93.36 7.6810236 -24.566118 2.0199637 1 4303 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 92.58 7.404831 -23.89837 0.67040384 1 4304 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 91.8 8.276211 -23.22354 0.112788066 1 4305 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 93.75 7.725702 -23.511456 3.142135 1 4306 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 93.36 7.992687 -24.199356 4.4894085 1 4307 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 92.97 6.406445 -22.73053 3.1850348 1 4308 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 92.19 8.219711 -23.226196 5.6382732 1 4309 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 92.19 6.201094 -24.126328 0.16385916 1 4310 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 91.41 5.7922897 -23.55912 -1.1207283 1 4311 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 91.41 5.0732 -22.228903 -0.9245033 1 4312 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 90.62 4.788298 -21.80671 0.20541683 1 4313 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 90.62 4.8888607 -24.536863 -1.8653034 1 4314 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 87.89 5.4354196 -25.958138 -1.9510453 1 4315 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 85.16 6.798833 -25.999805 -2.6402078 1 4316 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 82.03 7.3410606 -27.416248 -2.6903906 1 4317 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 78.52 8.671614 -27.471498 -3.288779 1 4318 +ATOM N N . SER C0 3 130 . 130 SER C0 N 89.84 4.7584476 -21.542515 -2.0397592 1 4319 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 88.67 4.1232595 -20.231129 -1.9709569 1 4320 +ATOM C C . SER C0 3 130 . 130 SER C0 C 89.06 2.7590113 -20.266605 -1.2827065 1 4321 +ATOM O O . SER C0 3 130 . 130 SER C0 O 87.89 2.3332548 -19.260664 -0.7155115 1 4322 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 87.5 3.988043 -19.63851 -3.3815718 1 4323 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 85.55 3.1771367 -20.458176 -4.1952567 1 4324 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 89.84 2.0696945 -21.425404 -1.3271093 1 4325 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 89.06 0.7614662 -21.540401 -0.69488156 1 4326 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 89.06 0.86001647 -21.939522 0.77760696 1 4327 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 88.28 -0.16091341 -22.174118 1.4239497 1 4328 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 88.67 -0.13406679 -22.53019 -1.4519954 1 4329 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 88.28 0.40100768 -23.959545 -1.4283293 1 4330 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 87.5 1.4585989 -24.208563 -0.81288105 1 4331 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 85.55 -0.24933234 -24.834074 -2.030924 1 4332 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 92.19 2.069414 -22.018295 1.2981156 1 4333 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 91.8 2.2704496 -22.344368 2.6965754 1 4334 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 92.97 2.4058228 -23.816189 3.0104783 1 4335 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 92.19 2.5668585 -24.176178 4.179344 1 4336 +ATOM N N . SER C0 3 133 . 133 SER C0 N 94.53 2.3441844 -24.691767 2.0084205 1 4337 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 94.53 2.473481 -26.127464 2.2404895 1 4338 +ATOM C C . SER C0 3 133 . 133 SER C0 C 94.53 3.9466622 -26.53584 2.2303448 1 4339 +ATOM O O . SER C0 3 133 . 133 SER C0 O 94.14 4.7932673 -25.842505 1.6618962 1 4340 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 94.14 1.7023387 -26.91587 1.176719 1 4341 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 91.41 2.2635283 -26.739388 -0.10354684 1 4342 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 95.31 4.2131667 -27.66846 2.883761 1 4343 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 95.31 5.585438 -28.14687 2.937885 1 4344 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 95.7 5.703638 -29.374924 3.8113184 1 4345 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 95.31 4.6966534 -29.98711 4.19086 1 4346 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 96.09 6.939199 -29.768782 4.1223526 1 4347 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 96.09 7.2069964 -30.904442 4.987483 1 4348 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 96.09 7.3632994 -30.427528 6.42428 1 4349 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 96.09 7.8099627 -29.29149 6.6651983 1 4350 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 94.92 8.478914 -31.63554 4.540492 1 4351 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 91.41 8.36219 -32.247746 3.1528223 1 4352 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 88.67 9.600016 -33.064934 2.793488 1 4353 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 84.38 10.830197 -32.18518 2.6155825 1 4354 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 80.86 12.011909 -32.967373 2.183413 1 4355 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 96.09 6.9812775 -31.295454 7.373497 1 4356 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 96.48 7.053617 -30.927084 8.780169 1 4357 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 96.48 7.709489 -32.026928 9.60479 1 4358 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 96.09 7.566207 -33.209858 9.30471 1 4359 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 95.7 5.6621656 -30.626125 9.327742 1 4360 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 96.09 8.409686 -31.622505 10.645166 1 4361 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 96.09 9.054179 -32.548035 11.558104 1 4362 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 95.7 8.977434 -31.966354 12.958466 1 4363 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 95.7 9.278787 -30.783329 13.15684 1 4364 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 95.7 10.524449 -32.755814 11.157125 1 4365 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 92.58 11.305786 -33.64924 12.103381 1 4366 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 91.02 12.80111 -33.69314 11.739787 1 4367 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 87.5 13.0416565 -34.361893 10.395399 1 4368 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 85.16 14.49419 -34.489883 10.110041 1 4369 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 96.09 8.526981 -32.789585 13.92128 1 4370 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 95.7 8.515502 -32.341095 15.310007 1 4371 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 96.09 9.579674 -33.123062 16.068472 1 4372 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 95.7 9.498655 -34.349876 16.168793 1 4373 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 95.31 7.138982 -32.54171 15.954239 1 4374 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 94.14 7.0866528 -31.988644 17.383724 1 4375 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 93.36 5.725127 -32.061287 18.030037 1 4376 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 91.8 5.0407724 -33.082024 17.870293 1 4377 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 91.02 5.3268275 -31.087973 18.718601 1 4378 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 95.31 10.573473 -32.42491 16.548695 1 4379 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 94.92 11.660261 -33.040554 17.295315 1 4380 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 94.92 11.306083 -32.972206 18.775797 1 4381 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 94.14 11.37246 -31.904074 19.402832 1 4382 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 94.92 13.001736 -32.32795 17.024858 1 4383 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 92.97 14.133626 -33.031296 17.75829 1 4384 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 92.58 13.277769 -32.283356 15.519577 1 4385 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 94.53 10.891464 -34.11139 19.307505 1 4386 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 94.14 10.500303 -34.191948 20.707897 1 4387 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 92.97 11.676996 -34.691544 21.545578 1 4388 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 91.8 12.81678 -34.703194 21.080532 1 4389 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 93.75 9.282198 -35.113274 20.854815 1 4390 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 93.36 8.021156 -34.614906 20.154669 1 4391 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 91.41 6.998516 -35.72818 19.99327 1 4392 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 90.23 7.4303493 -33.439056 20.92775 1 4393 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 92.19 11.417289 -35.08797 22.755344 1 4394 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 91.02 12.494114 -35.53907 23.632973 1 4395 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 91.02 12.83692 -37.001686 23.346891 1 4396 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 89.06 12.164139 -37.914055 23.815948 1 4397 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 89.06 12.090303 -35.358128 25.097214 1 4398 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 84.77 11.83366 -33.910458 25.483156 1 4399 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 80.86 11.347292 -33.774147 26.90413 1 4400 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 77.34 11.167269 -32.31694 27.310093 1 4401 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 73.83 10.142744 -31.620188 26.50975 1 4402 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 92.19 13.849097 -37.202713 22.524296 1 4403 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 91.41 14.326115 -38.536156 22.219372 1 4404 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 92.19 13.773027 -39.177628 20.964882 1 4405 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 91.02 14.22976 -40.264668 20.586914 1 4406 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 93.75 12.803822 -38.56406 20.308002 1 4407 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 94.14 12.258451 -39.128086 19.076561 1 4408 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 94.53 11.651422 -38.03233 18.212769 1 4409 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 93.75 11.470274 -36.890175 18.661518 1 4410 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 93.75 11.222183 -40.22809 19.369045 1 4411 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 92.97 10.033482 -39.781475 20.198284 1 4412 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 91.02 10.140041 -39.627373 21.575165 1 4413 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 89.84 8.803684 -39.540794 19.60698 1 4414 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 89.06 9.055893 -39.23092 22.339037 1 4415 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 88.67 7.711461 -39.149338 20.365639 1 4416 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 89.84 7.843261 -38.998684 21.7299 1 4417 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 89.84 6.7747726 -38.60562 22.48154 1 4418 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 95.31 11.329125 -38.38878 16.976572 1 4419 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 94.92 10.855759 -37.427773 15.990228 1 4420 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 94.92 9.570209 -37.90873 15.3234215 1 4421 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 94.14 9.420302 -39.09536 15.023353 1 4422 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 94.53 11.935526 -37.184166 14.911341 1 4423 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 92.58 11.417284 -36.268555 13.808685 1 4424 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 91.41 13.198167 -36.607674 15.531998 1 4425 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 95.7 8.629348 -36.978256 15.122733 1 4426 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 95.7 7.414754 -37.25287 14.374388 1 4427 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 95.7 7.51101 -36.480637 13.06151 1 4428 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 95.7 7.9679937 -35.33033 13.047467 1 4429 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 95.31 6.1668787 -36.804733 15.137417 1 4430 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 93.36 5.952563 -37.3897 16.533966 1 4431 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 91.41 4.6484327 -36.867683 17.120392 1 4432 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 90.23 5.951058 -38.90308 16.500456 1 4433 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 96.09 7.0912466 -37.096886 11.971102 1 4434 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 95.7 7.1625743 -36.457787 10.663293 1 4435 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 95.7 5.781589 -36.35903 10.022749 1 4436 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 95.31 4.897272 -37.162415 10.30542 1 4437 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 94.92 8.115112 -37.220715 9.744093 1 4438 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 91.02 9.55003 -37.2012 10.216516 1 4439 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 88.28 10.509394 -37.81832 9.213666 1 4440 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 85.94 11.233014 -37.07377 8.537435 1 4441 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 85.16 10.526833 -39.057816 9.11737 1 4442 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 95.7 5.626732 -35.337524 9.164465 1 4443 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 95.7 4.343398 -35.145878 8.51607 1 4444 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 95.7 4.376546 -34.023407 7.50439 1 4445 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 95.31 5.380229 -33.83078 6.8201284 1 4446 +ATOM N N . THR C0 3 148 . 148 THR C0 N 95.7 3.267458 -33.304077 7.420561 1 4447 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 95.7 3.1528559 -32.249138 6.425639 1 4448 +ATOM C C . THR C0 3 148 . 148 THR C0 C 95.7 2.6080463 -30.95544 7.0239773 1 4449 +ATOM O O . THR C0 3 148 . 148 THR C0 O 95.7 1.9609995 -30.959679 8.074602 1 4450 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 95.31 2.233447 -32.669987 5.2625957 1 4451 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 91.8 0.9340836 -32.975174 5.7860126 1 4452 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 90.62 2.783431 -33.89473 4.5412245 1 4453 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 95.31 2.8952718 -29.860909 6.3375945 1 4454 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 95.31 2.387248 -28.545937 6.6793623 1 4455 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 95.7 1.4048054 -28.117336 5.5978317 1 4456 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 94.92 1.6933384 -28.265253 4.408518 1 4457 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 95.31 3.534245 -27.532625 6.767831 1 4458 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 94.14 3.1497843 -26.05363 6.87893 1 4459 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 92.97 4.3818617 -25.18388 6.65345 1 4460 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 92.19 2.513469 -25.767265 8.235179 1 4461 +ATOM N N . THR C0 3 150 . 150 THR C0 N 94.14 0.23132169 -27.64944 6.0000105 1 4462 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 93.75 -0.72511387 -27.057407 5.0754128 1 4463 +ATOM C C . THR C0 3 150 . 150 THR C0 C 93.36 -0.9232008 -25.61195 5.505047 1 4464 +ATOM O O . THR C0 3 150 . 150 THR C0 O 92.19 -0.32336184 -25.149128 6.477708 1 4465 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 92.97 -2.0834024 -27.794739 5.0946302 1 4466 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 90.62 -2.7152758 -27.586754 6.351508 1 4467 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 89.06 -1.8961315 -29.286177 4.8536053 1 4468 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 90.62 -1.7580194 -24.88219 4.7647614 1 4469 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 89.45 -1.9955468 -23.484627 5.092273 1 4470 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 90.23 -2.6311846 -23.311348 6.465781 1 4471 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 89.06 -2.4826999 -22.256859 7.0878305 1 4472 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 87.89 -2.882555 -22.844707 4.017249 1 4473 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 91.41 -3.3293395 -24.349388 6.939369 1 4474 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 91.41 -4.0571404 -24.252993 8.202419 1 4475 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 92.19 -3.406877 -24.96696 9.384892 1 4476 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 91.41 -3.6079674 -24.552338 10.526894 1 4477 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 89.45 -5.4794993 -24.784805 8.042436 1 4478 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 85.16 -6.3859143 -23.88235 7.224498 1 4479 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 81.25 -7.8362994 -24.29515 7.3053102 1 4480 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 77.73 -8.705652 -23.533966 6.849381 1 4481 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 76.17 -8.129297 -25.387547 7.8355803 1 4482 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 94.53 -2.6614199 -26.035831 9.115761 1 4483 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 94.92 -2.1340156 -26.791145 10.247842 1 4484 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 95.31 -0.9522667 -27.676153 9.878679 1 4485 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 94.53 -0.6707525 -27.91695 8.705132 1 4486 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 93.75 -3.2335014 -27.66748 10.841099 1 4487 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 92.58 -3.7478487 -28.738539 9.896074 1 4488 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 90.62 -4.852089 -29.554153 10.535097 1 4489 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 87.89 -5.3890247 -30.57906 9.548433 1 4490 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 84.77 -6.4724364 -31.38132 10.138741 1 4491 +ATOM N N . THR C0 3 154 . 154 THR C0 N 95.7 -0.30264407 -28.144405 10.936139 1 4492 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 95.7 0.76326627 -29.124092 10.816911 1 4493 +ATOM C C . THR C0 3 154 . 154 THR C0 C 95.7 0.14859849 -30.469181 11.190437 1 4494 +ATOM O O . THR C0 3 154 . 154 THR C0 O 95.31 -0.5396781 -30.572906 12.205297 1 4495 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 95.7 1.9257636 -28.808697 11.783411 1 4496 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 94.14 2.4890606 -27.542603 11.458857 1 4497 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 93.75 3.0023785 -29.884537 11.718588 1 4498 +ATOM N N . THR C0 3 155 . 155 THR C0 N 96.48 0.3530587 -31.496944 10.358011 1 4499 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 96.09 -0.16790015 -32.82563 10.647184 1 4500 +ATOM C C . THR C0 3 155 . 155 THR C0 C 96.09 1.0103617 -33.79484 10.728899 1 4501 +ATOM O O . THR C0 3 155 . 155 THR C0 O 95.7 1.7377822 -33.978573 9.754084 1 4502 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 95.7 -1.1563433 -33.295128 9.566246 1 4503 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 93.36 -2.2588387 -32.387695 9.515772 1 4504 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 92.58 -1.6739697 -34.698418 9.878963 1 4505 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 96.09 1.1900289 -34.411556 11.907822 1 4506 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 96.09 2.2717738 -35.358837 12.144052 1 4507 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 95.7 1.6627609 -36.74498 12.306106 1 4508 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 95.7 0.70434254 -36.90823 13.061664 1 4509 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 95.7 3.0623786 -34.952614 13.392867 1 4510 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 95.31 3.6254303 -33.53036 13.318063 1 4511 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 92.97 3.7906373 -32.93048 14.6975155 1 4512 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 92.58 4.9271383 -33.51487 12.5415945 1 4513 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 95.7 2.2093115 -37.739433 11.598206 1 4514 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 95.31 1.5891198 -39.062733 11.601896 1 4515 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 95.31 2.5305045 -40.16861 12.092949 1 4516 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 94.92 3.7388494 -40.10848 11.893446 1 4517 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 94.53 1.0646967 -39.4407 10.196945 1 4518 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 92.19 2.2083817 -39.5375 9.200805 1 4519 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 91.41 0.027696393 -38.43718 9.719795 1 4520 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 95.31 1.9260304 -41.156754 12.742124 1 4521 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 95.31 2.6221535 -42.36371 13.167782 1 4522 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 95.31 1.7807629 -43.529636 12.665423 1 4523 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 94.92 0.5789751 -43.599197 12.963045 1 4524 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 94.53 2.764398 -42.445545 14.698257 1 4525 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 92.19 3.4955602 -43.725834 15.084557 1 4526 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 91.41 3.499985 -41.22664 15.235407 1 4527 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 94.53 2.38584 -44.418484 11.903782 1 4528 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 94.14 1.6703904 -45.558792 11.346297 1 4529 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 94.14 2.1325002 -46.86891 11.991295 1 4530 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 93.36 3.3275812 -47.08729 12.167496 1 4531 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 93.36 1.8727143 -45.64128 9.82428 1 4532 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 88.67 1.3183208 -44.447464 9.075113 1 4533 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 85.94 1.5513704 -44.60829 7.5735006 1 4534 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 82.03 1.0123913 -43.402023 6.8198376 1 4535 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 78.91 1.253783 -43.523655 5.364179 1 4536 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 93.75 1.1678833 -47.721542 12.338844 1 4537 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 93.75 1.4448111 -49.044228 12.893927 1 4538 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 94.14 0.37998843 -49.9955 12.368653 1 4539 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 93.36 -0.7694709 -49.9339 12.790779 1 4540 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 92.97 1.4363388 -49.005524 14.421276 1 4541 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 90.23 1.6192571 -50.37894 15.071918 1 4542 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 88.67 2.9150577 -51.068726 14.713302 1 4543 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 86.33 3.927691 -50.385246 14.445079 1 4544 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 85.16 2.9366405 -52.30844 14.693642 1 4545 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 93.36 0.7827226 -50.852066 11.432276 1 4546 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 92.97 -0.17176896 -51.76687 10.831545 1 4547 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 93.75 -1.2524079 -51.013718 10.087436 1 4548 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 92.58 -0.96874535 -50.19189 9.216286 1 4549 +ATOM N N . THR C0 3 162 . 162 THR C0 N 94.53 -2.5157928 -51.268845 10.465996 1 4550 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 94.53 -3.6406841 -50.59866 9.836798 1 4551 +ATOM C C . THR C0 3 162 . 162 THR C0 C 94.53 -4.0120926 -49.28621 10.535387 1 4552 +ATOM O O . THR C0 3 162 . 162 THR C0 O 94.14 -4.94341 -48.59674 10.10043 1 4553 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 93.75 -4.88414 -51.509705 9.8383465 1 4554 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 91.8 -5.2247653 -51.837486 11.192864 1 4555 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 91.02 -4.62978 -52.81318 9.073415 1 4556 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 94.92 -3.2852597 -48.960484 11.598433 1 4557 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 95.31 -3.6081817 -47.786655 12.405135 1 4558 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 94.92 -2.725862 -46.587395 12.046474 1 4559 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 94.53 -1.5110527 -46.716953 11.910302 1 4560 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 94.53 -3.476296 -48.0973 13.911548 1 4561 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 92.19 -3.8291242 -46.87729 14.745947 1 4562 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 91.41 -4.3521166 -49.27806 14.299255 1 4563 +ATOM N N . THR C0 3 164 . 164 THR C0 N 94.92 -3.3590117 -45.41359 11.899068 1 4564 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 94.53 -2.6380875 -44.16855 11.664768 1 4565 +ATOM C C . THR C0 3 164 . 164 THR C0 C 94.53 -3.0707345 -43.157127 12.7228565 1 4566 +ATOM O O . THR C0 3 164 . 164 THR C0 O 94.53 -4.264006 -42.841347 12.83034 1 4567 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 94.53 -2.9249363 -43.59704 10.263985 1 4568 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 91.02 -2.478231 -44.52393 9.271474 1 4569 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 90.23 -2.2065115 -42.27365 10.063585 1 4570 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 95.7 -2.103608 -42.680984 13.512083 1 4571 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 95.31 -2.36299 -41.635487 14.493948 1 4572 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 95.31 -1.9296249 -40.310295 13.88497 1 4573 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 94.92 -0.82049596 -40.20435 13.347162 1 4574 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 94.92 -1.5953021 -41.912243 15.787881 1 4575 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 93.75 -1.7710512 -40.918182 16.929829 1 4576 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 91.41 -1.7894245 -41.637505 18.276348 1 4577 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 90.62 -0.68182683 -39.84661 16.900265 1 4578 +ATOM N N . SER C0 3 166 . 166 SER C0 N 96.09 -2.8036737 -39.306854 13.935899 1 4579 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 96.09 -2.5055485 -37.99311 13.3783455 1 4580 +ATOM C C . SER C0 3 166 . 166 SER C0 C 96.09 -2.5395947 -36.942276 14.47821 1 4581 +ATOM O O . SER C0 3 166 . 166 SER C0 O 95.7 -3.5692353 -36.754143 15.132488 1 4582 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 95.7 -3.509664 -37.632217 12.28294 1 4583 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 90.62 -3.476752 -38.582764 11.228561 1 4584 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 96.09 -1.415456 -36.267067 14.677539 1 4585 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 95.7 -1.3274326 -35.16971 15.638412 1 4586 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 96.09 -1.3743751 -33.865944 14.855831 1 4587 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 95.31 -0.5283246 -33.627792 13.98346 1 4588 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 95.7 -0.029453898 -35.25676 16.447613 1 4589 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 94.53 0.16248989 -34.108368 17.422333 1 4590 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 93.75 1.4861412 -34.246048 18.163536 1 4591 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 92.58 1.7022892 -33.062424 19.106653 1 4592 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 90.62 2.9756155 -33.180107 19.813732 1 4593 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 96.09 -2.3712568 -33.04534 15.140213 1 4594 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 95.7 -2.5529504 -31.778214 14.442816 1 4595 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 95.7 -2.1871462 -30.59905 15.3307495 1 4596 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 94.92 -2.6146336 -30.524464 16.484062 1 4597 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 95.7 -4.0023775 -31.632215 13.97148 1 4598 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 92.97 -4.4128017 -32.737404 13.022274 1 4599 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 89.84 -3.6843872 -33.059334 12.078308 1 4600 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 89.06 -5.5688 -33.333195 13.24346 1 4601 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 95.31 -1.3684306 -29.686543 14.800593 1 4602 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 95.31 -0.9941629 -28.463852 15.502242 1 4603 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 94.92 -1.484776 -27.299204 14.646389 1 4604 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 94.53 -0.9865573 -27.084616 13.5388 1 4605 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 94.92 0.52838314 -28.366772 15.716185 1 4606 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 94.14 1.0362302 -29.61672 16.446056 1 4607 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 93.75 0.873511 -27.108337 16.510822 1 4608 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 91.8 2.5455165 -29.686428 16.56935 1 4609 +ATOM N N . SER C0 3 170 . 170 SER C0 N 93.75 -2.4831078 -26.567822 15.142122 1 4610 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 93.36 -3.0517702 -25.456806 14.397325 1 4611 +ATOM C C . SER C0 3 170 . 170 SER C0 C 93.36 -2.098487 -24.268543 14.369208 1 4612 +ATOM O O . SER C0 3 170 . 170 SER C0 O 92.19 -1.0900184 -24.241842 15.073357 1 4613 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 92.97 -4.3910284 -25.035301 15.008995 1 4614 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 89.84 -4.1839285 -24.401615 16.255184 1 4615 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 91.02 -2.4244323 -23.26147 13.544999 1 4616 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 90.23 -1.5976233 -22.070648 13.454306 1 4617 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 90.62 -1.5344691 -21.33379 14.787656 1 4618 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 89.06 -0.5557005 -20.631775 15.060722 1 4619 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 88.67 -2.137782 -21.128986 12.361634 1 4620 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 84.77 -1.9932128 -21.696148 10.956359 1 4621 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 81.64 -2.5929728 -20.76212 9.910675 1 4622 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 77.73 -1.7913854 -19.479164 9.782837 1 4623 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 73.44 -2.301052 -18.611359 8.705612 1 4624 +ATOM N N . SER C0 3 172 . 172 SER C0 N 90.62 -2.5646634 -21.501667 15.620287 1 4625 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 89.45 -2.598788 -20.874186 16.940504 1 4626 +ATOM C C . SER C0 3 172 . 172 SER C0 C 89.84 -1.8929032 -21.712177 18.001808 1 4627 +ATOM O O . SER C0 3 172 . 172 SER C0 O 88.28 -1.8105357 -21.295134 19.164454 1 4628 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 88.28 -4.042854 -20.609516 17.370693 1 4629 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 86.72 -4.7642274 -21.81539 17.506462 1 4630 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 90.23 -1.3841147 -22.880726 17.619549 1 4631 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 89.45 -0.66985995 -23.7399 18.548014 1 4632 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 90.23 -1.5166157 -24.778618 19.241493 1 4633 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 89.06 -0.9967733 -25.544239 20.055407 1 4634 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 93.36 -2.825643 -24.845663 18.937428 1 4635 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 92.97 -3.7090209 -25.822527 19.56258 1 4636 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 93.75 -3.4285102 -27.219105 19.014734 1 4637 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 93.36 -3.2651567 -27.396908 17.80557 1 4638 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 91.41 -5.1728983 -25.463345 19.317713 1 4639 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 86.33 -5.643364 -24.223915 20.084316 1 4640 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 82.03 -5.628852 -24.43584 21.576294 1 4641 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 78.52 -5.2169194 -23.501163 22.292604 1 4642 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 76.95 -6.0171585 -25.518227 22.043922 1 4643 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 94.14 -3.3713734 -28.203976 19.918285 1 4644 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 94.53 -3.0817304 -29.584152 19.541859 1 4645 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 94.53 -4.3506775 -30.430908 19.603765 1 4646 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 94.14 -5.1463118 -30.303074 20.53086 1 4647 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 93.75 -2.0010188 -30.195955 20.456753 1 4648 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 91.02 -1.8065441 -31.680439 20.144058 1 4649 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 89.84 -0.69010055 -29.44331 20.309624 1 4650 +ATOM N N . SER C0 3 176 . 176 SER C0 N 95.7 -4.539898 -31.275639 18.604982 1 4651 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 95.7 -5.62232 -32.252266 18.601194 1 4652 +ATOM C C . SER C0 3 176 . 176 SER C0 C 95.7 -5.0678186 -33.5361 18.000526 1 4653 +ATOM O O . SER C0 3 176 . 176 SER C0 O 95.31 -4.1441755 -33.50009 17.182442 1 4654 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 94.53 -6.8339953 -31.764791 17.802994 1 4655 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 90.23 -6.515459 -31.627045 16.439564 1 4656 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 95.7 -5.590495 -34.664474 18.441189 1 4657 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 95.7 -5.096477 -35.949017 17.95967 1 4658 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 95.31 -6.270907 -36.816326 17.518372 1 4659 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 94.92 -7.3074145 -36.8583 18.185661 1 4660 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 94.92 -4.283203 -36.68758 19.047047 1 4661 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 92.58 -3.6871257 -37.976532 18.495525 1 4662 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 91.8 -3.1802053 -35.78811 19.591728 1 4663 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 95.7 -6.117032 -37.488663 16.398716 1 4664 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 95.31 -7.146624 -38.382114 15.897988 1 4665 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 95.31 -6.498501 -39.685585 15.453342 1 4666 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 94.53 -5.2988 -39.745537 15.190731 1 4667 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 94.14 -7.935419 -37.753 14.743902 1 4668 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 89.45 -7.090722 -37.31963 13.56667 1 4669 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 85.94 -7.872806 -36.487587 12.570969 1 4670 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 83.2 -9.0898485 -36.27545 12.773096 1 4671 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 82.03 -7.274108 -36.01651 11.579602 1 4672 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 95.31 -7.322698 -40.741795 15.382903 1 4673 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 94.92 -6.8355703 -42.063683 15.012585 1 4674 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 94.92 -7.7434673 -42.67013 13.9560795 1 4675 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 93.75 -8.971876 -42.589855 14.062773 1 4676 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 94.53 -6.777626 -42.96312 16.254753 1 4677 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 92.97 -6.193222 -44.368362 16.102474 1 4678 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 91.02 -5.44331 -44.769714 17.358656 1 4679 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 89.84 -7.274063 -45.397446 15.765007 1 4680 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 95.31 -7.139637 -43.252697 12.930223 1 4681 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 94.53 -7.881729 -43.937286 11.881555 1 4682 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 94.92 -7.347332 -45.361996 11.7338295 1 4683 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 94.14 -6.1363764 -45.56979 11.687708 1 4684 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 92.97 -7.761407 -43.192978 10.545805 1 4685 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 87.89 -8.514744 -43.892143 9.433718 1 4686 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 84.38 -9.735954 -44.057198 9.517829 1 4687 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 83.2 -7.8320065 -44.302303 8.396286 1 4688 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 94.53 -8.253599 -46.332138 11.685426 1 4689 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 94.53 -7.881658 -47.734848 11.551413 1 4690 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 94.53 -8.608788 -48.31071 10.339325 1 4691 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 93.75 -9.83968 -48.27346 10.278297 1 4692 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 94.53 -8.254415 -48.508656 12.8202095 1 4693 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 94.14 -7.66705 -49.91394 12.857145 1 4694 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 91.8 -7.0926514 -50.36821 11.842926 1 4695 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 91.02 -7.7779927 -50.57937 13.9142 1 4696 +ATOM N N . THR C0 3 182 . 182 THR C0 N 94.92 -7.862262 -48.834 9.37049 1 4697 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 94.14 -8.452091 -49.400436 8.162457 1 4698 +ATOM C C . THR C0 3 182 . 182 THR C0 C 93.75 -8.86913 -50.858963 8.339796 1 4699 +ATOM O O . THR C0 3 182 . 182 THR C0 O 92.58 -9.34292 -51.494354 7.3871856 1 4700 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 93.36 -7.476144 -49.29708 6.969066 1 4701 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 91.8 -6.2557306 -49.955082 7.3083467 1 4702 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 90.62 -7.1899953 -47.837227 6.635784 1 4703 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 93.36 -8.694875 -51.409996 9.555644 1 4704 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 92.58 -9.0983715 -52.78532 9.856966 1 4705 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 92.58 -10.59145 -52.928596 9.566639 1 4706 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 91.8 -11.394428 -52.11992 10.039094 1 4707 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 91.8 -8.8078575 -53.099415 11.32551 1 4708 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 90.62 -8.888945 -54.58693 11.646708 1 4709 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 88.67 -9.672561 -55.31104 10.995895 1 4710 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 87.5 -8.1727295 -55.03223 12.5714245 1 4711 +ATOM N N . SER C0 3 184 . 184 SER C0 N 91.41 -10.96691 -53.95317 8.780347 1 4712 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 91.02 -12.366297 -54.13894 8.407188 1 4713 +ATOM C C . SER C0 3 184 . 184 SER C0 C 91.02 -13.184938 -54.873276 9.463509 1 4714 +ATOM O O . SER C0 3 184 . 184 SER C0 O 89.45 -14.419401 -54.914093 9.366576 1 4715 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 89.45 -12.461632 -54.895733 7.0779953 1 4716 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 86.33 -11.851962 -56.17285 7.1894035 1 4717 +ATOM N N . SER C0 3 185 . 185 SER C0 N 91.41 -12.538868 -55.4728 10.475514 1 4718 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 91.02 -13.234358 -56.221146 11.513771 1 4719 +ATOM C C . SER C0 3 185 . 185 SER C0 C 91.02 -13.665285 -55.308346 12.661313 1 4720 +ATOM O O . SER C0 3 185 . 185 SER C0 O 89.84 -12.823391 -54.668827 13.295792 1 4721 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 89.84 -12.344086 -57.34036 12.0527725 1 4722 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 87.89 -12.945797 -57.978424 13.164834 1 4723 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 89.84 -14.955547 -55.294037 12.955956 1 4724 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 89.45 -15.475854 -54.472187 14.043116 1 4725 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 90.23 -14.940617 -54.92211 15.396327 1 4726 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 89.06 -14.851489 -54.112614 16.326702 1 4727 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 87.89 -17.000652 -54.511375 14.040137 1 4728 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 91.02 -14.565439 -56.1902 15.521164 1 4729 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 90.62 -14.075333 -56.732704 16.784733 1 4730 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 91.02 -12.635557 -56.322216 17.082703 1 4731 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 89.84 -12.218365 -56.348175 18.24046 1 4732 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 89.45 -14.202082 -58.259033 16.784151 1 4733 +ATOM N N . THR C0 3 188 . 188 THR C0 N 92.19 -11.858986 -55.944946 16.062775 1 4734 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 92.19 -10.458088 -55.58029 16.253819 1 4735 +ATOM C C . THR C0 3 188 . 188 THR C0 C 92.58 -10.140648 -54.14569 15.822239 1 4736 +ATOM O O . THR C0 3 188 . 188 THR C0 O 92.19 -9.040981 -53.65446 16.099064 1 4737 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 90.62 -9.537056 -56.54344 15.491928 1 4738 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 87.89 -9.884695 -56.521114 14.105585 1 4739 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 86.72 -9.682636 -57.973656 16.020737 1 4740 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 93.36 -11.0721 -53.494797 15.155919 1 4741 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 93.36 -10.846376 -52.12872 14.679571 1 4742 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 93.36 -10.70275 -51.15703 15.847324 1 4743 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 92.97 -11.55752 -51.1148 16.746777 1 4744 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 92.97 -12.009868 -51.68747 13.781128 1 4745 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 91.41 -11.860952 -50.31241 13.187584 1 4746 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 89.84 -13.06954 -49.954266 12.338186 1 4747 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 87.5 -12.951182 -48.563347 11.739883 1 4748 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 84.77 -11.887725 -48.515556 10.691201 1 4749 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 94.14 -9.616785 -50.38062 15.851317 1 4750 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 94.14 -9.37609 -49.376183 16.889202 1 4751 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 94.14 -10.135708 -48.098557 16.587814 1 4752 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 93.75 -10.144032 -47.634224 15.443853 1 4753 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 93.75 -7.882767 -49.056583 17.023087 1 4754 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 92.19 -7.0827723 -50.083435 17.813606 1 4755 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 90.23 -6.6722975 -51.252663 16.92522 1 4756 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 88.67 -5.722759 -52.177948 17.684063 1 4757 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 86.33 -5.353407 -53.34016 16.835598 1 4758 +ATOM N N . THR C0 3 191 . 191 THR C0 N 94.53 -10.763005 -47.529697 17.590012 1 4759 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 94.53 -11.39349 -46.221924 17.494762 1 4760 +ATOM C C . THR C0 3 191 . 191 THR C0 C 94.92 -10.8451 -45.38314 18.64309 1 4761 +ATOM O O . THR C0 3 191 . 191 THR C0 O 94.53 -10.247273 -45.90316 19.586327 1 4762 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 93.36 -12.930413 -46.303833 17.595768 1 4763 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 89.84 -13.296093 -46.888775 18.839346 1 4764 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 88.28 -13.509712 -47.138237 16.455181 1 4765 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 95.31 -11.000617 -44.056957 18.551071 1 4766 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 94.92 -10.460524 -43.2011 19.598957 1 4767 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 94.92 -11.285815 -41.932617 19.762405 1 4768 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 94.14 -11.909143 -41.461796 18.811365 1 4769 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 94.14 -9.012948 -42.845222 19.298683 1 4770 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 95.31 -11.280251 -41.409798 20.986956 1 4771 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 94.53 -11.972618 -40.17088 21.310776 1 4772 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 95.31 -10.961816 -39.195873 21.906553 1 4773 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 94.92 -10.205877 -39.554802 22.812431 1 4774 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 93.75 -13.110174 -40.42826 22.288052 1 4775 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 95.31 -10.964874 -37.96807 21.387764 1 4776 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 94.92 -10.040718 -36.941288 21.860561 1 4777 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 94.92 -10.734603 -36.016373 22.854385 1 4778 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 94.14 -11.840622 -35.524033 22.587276 1 4779 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 94.92 -9.505524 -36.121548 20.69097 1 4780 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 94.53 -8.672663 -34.942444 21.061903 1 4781 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 92.97 -9.018866 -33.625744 20.91796 1 4782 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 93.36 -7.3552303 -34.939056 21.620823 1 4783 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 91.8 -7.993726 -32.81773 21.342659 1 4784 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 92.58 -6.967296 -33.59272 21.777756 1 4785 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 92.58 -6.4773717 -35.96669 22.004337 1 4786 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 92.97 -5.72342 -33.235092 22.308073 1 4787 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 92.58 -5.232602 -35.61103 22.52515 1 4788 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 92.58 -4.8784733 -34.265232 22.668768 1 4789 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 94.92 -10.117693 -35.799465 23.996826 1 4790 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 94.53 -10.624109 -34.88652 25.018333 1 4791 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 94.53 -9.644921 -33.71827 25.106552 1 4792 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 94.14 -8.56069 -33.853172 25.667606 1 4793 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 94.14 -10.743001 -35.607162 26.36782 1 4794 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 92.19 -11.39406 -34.744057 27.433249 1 4795 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 89.84 -11.223344 -33.527695 27.452213 1 4796 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 88.67 -12.143784 -35.373047 28.336903 1 4797 +ATOM N N . SER C0 3 196 . 196 SER C0 N 94.14 -10.037983 -32.575512 24.52917 1 4798 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 93.36 -9.152305 -31.415987 24.493565 1 4799 +ATOM C C . SER C0 3 196 . 196 SER C0 C 93.75 -8.892659 -30.830887 25.874393 1 4800 +ATOM O O . SER C0 3 196 . 196 SER C0 O 92.19 -7.8540077 -30.207582 26.100382 1 4801 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 92.19 -9.731873 -30.339764 23.572245 1 4802 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 88.67 -10.996582 -29.907429 24.03947 1 4803 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 93.36 -9.829644 -31.0327 26.812687 1 4804 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 92.97 -9.656685 -30.506857 28.15624 1 4805 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 92.97 -8.525535 -31.166092 28.915794 1 4806 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 92.19 -7.8649898 -30.521545 29.736214 1 4807 +ATOM N N . THR C0 3 198 . 198 THR C0 N 94.14 -8.300337 -32.45864 28.652378 1 4808 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 93.75 -7.2385283 -33.20053 29.316101 1 4809 +ATOM C C . THR C0 3 198 . 198 THR C0 C 94.14 -6.117846 -33.60604 28.36425 1 4810 +ATOM O O . THR C0 3 198 . 198 THR C0 O 93.36 -5.1640844 -34.264313 28.781502 1 4811 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 93.36 -7.7978964 -34.46881 29.99364 1 4812 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 91.41 -8.431889 -35.29087 29.007662 1 4813 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 89.84 -8.819044 -34.11872 31.074661 1 4814 +ATOM N N . SER C0 3 199 . 199 SER C0 N 95.31 -6.240681 -33.226406 27.107391 1 4815 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 94.92 -5.264701 -33.586426 26.073532 1 4816 +ATOM C C . SER C0 3 199 . 199 SER C0 C 96.09 -5.044524 -35.09208 26.046017 1 4817 +ATOM O O . SER C0 3 199 . 199 SER C0 O 95.31 -3.9183302 -35.568073 25.976883 1 4818 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 93.75 -3.939577 -32.85627 26.311077 1 4819 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 89.84 -4.114872 -31.455458 26.264107 1 4820 +ATOM N N . THR C0 3 200 . 200 THR C0 N 95.31 -6.1549177 -35.826202 26.0955 1 4821 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 95.31 -6.104357 -37.27825 26.18145 1 4822 +ATOM C C . THR C0 3 200 . 200 THR C0 C 95.31 -6.817951 -37.939213 25.005186 1 4823 +ATOM O O . THR C0 3 200 . 200 THR C0 O 94.92 -7.941616 -37.57154 24.670292 1 4824 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 94.92 -6.7436337 -37.76909 27.492672 1 4825 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 92.58 -6.046792 -37.19847 28.597404 1 4826 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 91.8 -6.6879787 -39.292175 27.595263 1 4827 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 95.7 -6.1503124 -38.929764 24.409021 1 4828 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 95.7 -6.7444973 -39.750694 23.356236 1 4829 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 95.31 -7.0393295 -41.113983 23.96236 1 4830 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 94.92 -6.1216507 -41.821415 24.371243 1 4831 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 95.7 -5.7919774 -39.906414 22.169199 1 4832 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 94.53 -6.3880095 -40.599438 20.940077 1 4833 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 91.41 -5.3010893 -41.17414 20.042336 1 4834 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 90.62 -7.268695 -39.616035 20.171564 1 4835 +ATOM N N . THR C0 3 202 . 202 THR C0 N 94.92 -8.322094 -41.474663 24.033997 1 4836 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 94.92 -8.708851 -42.75464 24.603722 1 4837 +ATOM C C . THR C0 3 202 . 202 THR C0 C 94.53 -8.992743 -43.732635 23.469435 1 4838 +ATOM O O . THR C0 3 202 . 202 THR C0 O 94.53 -9.899387 -43.511696 22.662495 1 4839 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 94.92 -9.956665 -42.608902 25.494469 1 4840 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 92.58 -9.660612 -41.70319 26.55637 1 4841 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 92.58 -10.371503 -43.95798 26.078175 1 4842 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 94.92 -8.2147045 -44.81202 23.42138 1 4843 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 94.53 -8.35935 -45.810978 22.36615 1 4844 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 94.14 -9.317548 -46.907402 22.83077 1 4845 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 94.14 -9.210846 -47.399666 23.952888 1 4846 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 94.53 -6.9956703 -46.414597 21.984207 1 4847 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 93.36 -6.063675 -45.306583 21.483187 1 4848 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 92.97 -7.1595078 -47.510933 20.919113 1 4849 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 91.41 -4.6488876 -45.77178 21.182072 1 4850 +ATOM N N . THR C0 3 204 . 204 THR C0 N 94.53 -10.233229 -47.302147 21.936592 1 4851 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 94.14 -11.243364 -48.299286 22.2467 1 4852 +ATOM C C . THR C0 3 204 . 204 THR C0 C 94.14 -11.244627 -49.40513 21.195232 1 4853 +ATOM O O . THR C0 3 204 . 204 THR C0 O 93.75 -11.094226 -49.12376 20.002432 1 4854 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 93.75 -12.636738 -47.65399 22.311005 1 4855 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 90.62 -12.648341 -46.66309 23.337692 1 4856 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 89.84 -13.7177515 -48.694023 22.605238 1 4857 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 93.75 -11.408459 -50.64967 21.645481 1 4858 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 92.97 -11.522346 -51.80091 20.757084 1 4859 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 92.97 -12.688484 -52.659847 21.247374 1 4860 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 92.19 -12.766424 -52.975586 22.428082 1 4861 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 92.58 -10.233583 -52.641113 20.737595 1 4862 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 90.23 -10.413622 -53.856087 19.819487 1 4863 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 89.45 -9.046774 -51.81021 20.289999 1 4864 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 91.41 -13.57625 -53.000317 20.365196 1 4865 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 91.41 -14.740456 -53.81743 20.693811 1 4866 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 91.41 -15.504972 -53.233036 21.887774 1 4867 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 90.23 -15.865593 -53.950737 22.826672 1 4868 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 89.84 -14.301456 -55.26033 20.974644 1 4869 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 87.5 -15.466516 -56.23668 20.939259 1 4870 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 84.38 -16.486164 -55.973045 20.309671 1 4871 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 83.2 -15.310344 -57.3789 21.604649 1 4872 +ATOM N N . SER C0 3 207 . 207 SER C0 N 91.41 -15.717737 -51.949898 21.869331 1 4873 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 90.62 -16.457806 -51.190186 22.873604 1 4874 +ATOM C C . SER C0 3 207 . 207 SER C0 C 91.02 -15.795942 -51.15358 24.24139 1 4875 +ATOM O O . SER C0 3 207 . 207 SER C0 O 90.23 -16.42889 -50.76747 25.226736 1 4876 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 89.06 -17.887253 -51.713806 23.008919 1 4877 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 85.55 -18.579872 -51.596268 21.781132 1 4878 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 92.97 -14.529168 -51.533722 24.333416 1 4879 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 92.97 -13.804854 -51.48475 25.596062 1 4880 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 93.36 -12.582342 -50.583225 25.465649 1 4881 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 92.97 -11.80459 -50.71927 24.520935 1 4882 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 92.19 -13.373278 -52.88849 26.024538 1 4883 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 88.28 -14.52283 -53.80974 26.413132 1 4884 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 85.94 -14.007056 -55.151573 26.913164 1 4885 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 81.64 -15.159756 -56.06304 27.334621 1 4886 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 78.12 -14.672747 -57.359337 27.828516 1 4887 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 93.75 -12.435264 -49.696655 26.43948 1 4888 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 93.75 -11.264751 -48.821453 26.450869 1 4889 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 93.36 -10.011612 -49.658173 26.685297 1 4890 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 92.97 -10.011472 -50.558945 27.527859 1 4891 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 93.75 -11.404904 -47.754204 27.542557 1 4892 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 92.58 -12.575176 -46.814796 27.340496 1 4893 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 91.8 -12.690725 -45.85884 28.520836 1 4894 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 89.45 -13.903965 -44.96244 28.35738 1 4895 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 87.11 -14.086688 -44.066612 29.520496 1 4896 +ATOM N N . THR C0 3 210 . 210 THR C0 N 94.14 -8.950586 -49.350197 25.942474 1 4897 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 93.75 -7.714834 -50.11121 26.082596 1 4898 +ATOM C C . THR C0 3 210 . 210 THR C0 C 94.14 -6.543956 -49.262764 26.574198 1 4899 +ATOM O O . THR C0 3 210 . 210 THR C0 O 93.36 -5.7336526 -49.743866 27.36343 1 4900 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 92.97 -7.3093157 -50.775227 24.756063 1 4901 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 91.02 -7.1279364 -49.772583 23.762495 1 4902 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 89.84 -8.375871 -51.758995 24.295837 1 4903 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 94.14 -6.432439 -48.02504 26.10226 1 4904 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 94.14 -5.3084626 -47.16485 26.485798 1 4905 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 94.92 -5.6984444 -45.694557 26.489906 1 4906 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 94.53 -6.600646 -45.27536 25.751114 1 4907 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 93.36 -4.130618 -47.341904 25.513077 1 4908 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 90.62 -3.5463326 -48.736343 25.480522 1 4909 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 88.67 -2.4288883 -48.82819 24.443165 1 4910 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 85.55 -1.8532971 -50.233112 24.365993 1 4911 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 82.03 -2.8228412 -51.17312 23.773783 1 4912 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 94.53 -4.992343 -44.92617 27.287548 1 4913 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 94.92 -5.076235 -43.471626 27.278152 1 4914 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 94.53 -3.7125375 -42.94036 26.869638 1 4915 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 94.53 -2.7019768 -43.275375 27.4889 1 4916 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 94.92 -5.433983 -42.925835 28.669027 1 4917 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 93.75 -6.920679 -42.757156 28.88714 1 4918 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 90.62 -7.7067614 -43.139866 27.999355 1 4919 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 89.84 -7.300062 -42.230255 29.957565 1 4920 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 95.31 -3.67935 -42.118637 25.831543 1 4921 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 95.31 -2.4568152 -41.432106 25.434162 1 4922 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 95.31 -2.6482387 -39.965683 25.8139 1 4923 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 94.92 -3.6078458 -39.32337 25.364552 1 4924 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 94.92 -2.2117825 -41.550915 23.926575 1 4925 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 93.36 -1.7830014 -42.914635 23.394093 1 4926 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 91.02 -1.8116319 -42.90262 21.867764 1 4927 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 90.23 -0.3916426 -43.275757 23.889961 1 4928 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 94.92 -1.7731683 -39.44816 26.654545 1 4929 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 94.53 -1.8766323 -38.060875 27.095438 1 4930 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 94.53 -0.7474295 -37.24665 26.472504 1 4931 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 94.14 0.42631337 -37.59043 26.61454 1 4932 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 94.92 -1.828155 -37.947678 28.633602 1 4933 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 91.8 -1.9405296 -36.486897 29.05737 1 4934 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 90.62 -2.936726 -38.779823 29.266283 1 4935 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 94.14 -1.1303806 -36.175476 25.766733 1 4936 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 94.14 -0.16299841 -35.287914 25.127855 1 4937 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 92.97 -0.016080925 -34.06442 26.026722 1 4938 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 91.41 -0.87329566 -33.16994 26.018293 1 4939 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 94.14 -0.6380765 -34.909386 23.721474 1 4940 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 93.75 -0.6914799 -36.08648 22.782204 1 4941 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 91.8 -1.6952335 -37.034702 22.8893 1 4942 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 90.62 0.2809395 -36.264153 21.809114 1 4943 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 90.62 -1.7321346 -38.140087 22.046669 1 4944 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 90.62 0.24152943 -37.3631 20.961163 1 4945 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 92.58 -0.7612729 -38.302597 21.078173 1 4946 +ATOM N N . THR C0 3 216 . 216 THR C0 N 92.19 1.04284 -34.011536 26.807667 1 4947 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 91.02 1.2086455 -33.014694 27.860685 1 4948 +ATOM C C . THR C0 3 216 . 216 THR C0 C 91.02 1.6275918 -31.64041 27.3315 1 4949 +ATOM O O . THR C0 3 216 . 216 THR C0 O 89.84 2.0693886 -31.495617 26.193802 1 4950 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 89.84 2.232701 -33.473476 28.91072 1 4951 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 88.28 3.5456424 -33.334084 28.369497 1 4952 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 86.72 1.998653 -34.92573 29.308098 1 4953 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 89.06 1.4881572 -30.646069 28.211636 1 4954 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 88.28 1.8688483 -29.284111 27.870281 1 4955 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 88.67 3.375696 -29.113684 27.760702 1 4956 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 87.11 3.8528633 -28.109213 27.229809 1 4957 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 85.94 1.2997024 -28.30433 28.91166 1 4958 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 81.25 1.8081362 -28.537882 30.328117 1 4959 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 76.56 1.1744856 -27.560204 31.302748 1 4960 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 72.27 1.6557177 -27.809788 32.72031 1 4961 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 67.97 1.0498972 -26.864552 33.68 1 4962 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 90.62 4.148966 -30.082394 28.264719 1 4963 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 89.84 5.6033254 -30.047348 28.154526 1 4964 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 90.23 6.090474 -30.85888 26.953686 1 4965 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 89.06 7.2547207 -31.225508 26.87575 1 4966 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 88.28 6.247575 -30.56823 29.436138 1 4967 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 85.55 5.996732 -29.662119 30.633987 1 4968 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 82.03 6.706155 -30.126686 31.885872 1 4969 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 78.91 6.6270137 -29.417614 32.90754 1 4970 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 77.73 7.351015 -31.191347 31.861652 1 4971 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 91.41 5.174339 -31.126072 26.02377 1 4972 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 91.41 5.4635186 -31.84558 24.789593 1 4973 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 91.8 6.015518 -33.245697 25.023502 1 4974 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 91.02 6.951989 -33.683296 24.36254 1 4975 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 90.62 6.412212 -31.027779 23.899166 1 4976 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 89.84 5.8151507 -29.699991 23.4999 1 4977 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 87.11 6.3453207 -28.643257 23.838493 1 4978 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 85.94 4.70701 -29.747238 22.78101 1 4979 +ATOM N N . THR C0 3 220 . 220 THR C0 N 93.36 5.416793 -33.937828 25.9923 1 4980 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 93.36 5.714345 -35.339752 26.229572 1 4981 +ATOM C C . THR C0 3 220 . 220 THR C0 C 94.14 4.4335613 -36.127716 26.014652 1 4982 +ATOM O O . THR C0 3 220 . 220 THR C0 O 93.75 3.330639 -35.570168 26.06502 1 4983 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 92.19 6.232808 -35.59701 27.66302 1 4984 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 89.06 5.2385187 -35.20298 28.606295 1 4985 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 87.89 7.5240717 -34.842484 27.926071 1 4986 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 94.53 4.568953 -37.43198 25.747112 1 4987 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 94.53 3.4162593 -38.2992 25.565266 1 4988 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 94.14 3.5161421 -39.42251 26.591642 1 4989 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 93.75 4.57062 -40.0325 26.745102 1 4990 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 94.14 3.3691115 -38.90107 24.145348 1 4991 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 92.97 3.4509287 -37.79843 23.093117 1 4992 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 92.19 2.102254 -39.736023 23.953733 1 4993 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 90.62 3.6023965 -38.317833 21.664248 1 4994 +ATOM N N . THR C0 3 222 . 222 THR C0 N 94.53 2.403945 -39.679527 27.295795 1 4995 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 94.53 2.3756604 -40.77236 28.248629 1 4996 +ATOM C C . THR C0 3 222 . 222 THR C0 C 94.92 1.2906761 -41.761093 27.844078 1 4997 +ATOM O O . THR C0 3 222 . 222 THR C0 O 94.53 0.3171279 -41.39669 27.17455 1 4998 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 94.14 2.1044502 -40.28395 29.686573 1 4999 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 91.41 0.7987893 -39.719475 29.757019 1 5000 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 90.62 3.1329632 -39.256313 30.121864 1 5001 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 94.92 1.468346 -43.020035 28.241753 1 5002 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 94.53 0.48208094 -44.047974 27.936256 1 5003 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 94.53 0.1405552 -44.800392 29.218012 1 5004 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 94.14 1.0047228 -45.03605 30.063137 1 5005 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 94.14 0.99315035 -45.033134 26.857891 1 5006 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 90.62 -0.10379696 -46.04123 26.486687 1 5007 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 89.84 2.2441118 -45.757923 27.311989 1 5008 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 94.14 -1.1356556 -45.14303 29.380585 1 5009 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 94.14 -1.5925728 -45.91331 30.53038 1 5010 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 93.75 -2.6530247 -46.890865 30.059578 1 5011 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 93.36 -3.5161052 -46.540394 29.248787 1 5012 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 93.36 -2.1516273 -44.988773 31.617949 1 5013 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 91.41 -2.4183745 -45.708282 32.931244 1 5014 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 90.62 -2.7362611 -44.762753 34.07617 1 5015 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 87.11 -2.9465003 -43.570435 33.868637 1 5016 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 85.94 -2.772306 -45.29125 35.30319 1 5017 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 93.75 -2.5884867 -48.14168 30.580215 1 5018 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 93.36 -3.4948633 -49.212715 30.16378 1 5019 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 93.75 -4.754118 -49.254898 31.01114 1 5020 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 92.97 -4.7337294 -48.900864 32.188072 1 5021 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 91.8 -2.802795 -50.580704 30.258274 1 5022 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 87.89 -1.413657 -50.634712 29.650845 1 5023 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 84.77 -1.4173976 -50.400352 28.159815 1 5024 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 81.25 -2.2892728 -50.899788 27.447514 1 5025 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 79.3 -0.44832352 -49.63238 27.682945 1 5026 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 93.75 -5.856436 -49.72409 30.37405 1 5027 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 93.75 -7.095374 -49.975803 31.096714 1 5028 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 92.97 -7.163395 -51.446373 31.484087 1 5029 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 92.19 -6.445452 -52.288967 30.935894 1 5030 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 93.75 -8.317302 -49.636703 30.23498 1 5031 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 93.36 -8.657818 -48.166466 30.18795 1 5032 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 91.02 -8.047922 -47.32343 29.283834 1 5033 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 89.84 -9.6008215 -47.631245 31.049797 1 5034 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 89.45 -8.361627 -45.983353 29.235386 1 5035 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 89.45 -9.919391 -46.293777 31.003937 1 5036 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 91.8 -9.29851 -45.468513 30.101082 1 5037 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 92.19 -9.619589 -44.150787 30.063862 1 5038 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 92.58 -8.035384 -51.77407 32.458954 1 5039 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 92.58 -8.213863 -53.16838 32.846684 1 5040 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 92.19 -8.954679 -53.906334 31.738436 1 5041 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 91.41 -9.359493 -53.30443 30.738058 1 5042 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 91.8 -8.956524 -53.283424 34.18724 1 5043 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 90.23 -10.363725 -52.714684 34.173233 1 5044 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 88.28 -10.848551 -52.281338 33.105682 1 5045 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 86.72 -11.000902 -52.703835 35.25209 1 5046 +ATOM N N . SER C0 3 228 . 228 SER C0 N 91.8 -9.148598 -55.21971 31.887356 1 5047 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 90.62 -9.756278 -56.047836 30.854462 1 5048 +ATOM C C . SER C0 3 228 . 228 SER C0 C 91.02 -11.183706 -55.626675 30.523468 1 5049 +ATOM O O . SER C0 3 228 . 228 SER C0 O 90.23 -11.6544 -55.901115 29.414108 1 5050 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 89.84 -9.726622 -57.523758 31.276905 1 5051 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 85.94 -10.438644 -57.72706 32.47891 1 5052 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 91.8 -11.870118 -54.994274 31.463272 1 5053 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 91.02 -13.227565 -54.533546 31.228094 1 5054 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 91.41 -13.2697735 -53.122364 30.640247 1 5055 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 90.62 -14.334749 -52.64081 30.279766 1 5056 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 90.62 -14.044626 -54.570824 32.524727 1 5057 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 87.89 -14.285324 -55.977627 33.033363 1 5058 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 85.16 -14.464119 -56.903137 32.244354 1 5059 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 83.2 -14.293153 -56.165977 34.3483 1 5060 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 92.19 -12.121134 -52.467518 30.563251 1 5061 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 92.19 -12.033667 -51.11871 30.029594 1 5062 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 92.19 -12.670635 -50.065033 30.909563 1 5063 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 91.41 -13.107018 -49.02446 30.39877 1 5064 +ATOM N N . THR C0 3 231 . 231 THR C0 N 92.19 -12.72253 -50.29967 32.20716 1 5065 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 91.8 -13.371454 -49.37757 33.117107 1 5066 +ATOM C C . THR C0 3 231 . 231 THR C0 C 92.58 -12.427748 -48.712074 34.108757 1 5067 +ATOM O O . THR C0 3 231 . 231 THR C0 O 91.41 -12.797351 -47.718086 34.738106 1 5068 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 91.02 -14.489443 -50.087498 33.91455 1 5069 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 87.89 -13.9340515 -51.20436 34.608215 1 5070 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 86.72 -15.594719 -50.586 32.98803 1 5071 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 92.19 -11.221111 -49.241077 34.27331 1 5072 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 91.8 -10.269228 -48.71207 35.248203 1 5073 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 92.19 -8.856344 -48.677197 34.678825 1 5074 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 91.8 -8.421196 -49.646362 34.049824 1 5075 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 91.02 -10.303375 -49.563793 36.527725 1 5076 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 87.11 -9.28824 -49.170025 37.57811 1 5077 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 84.38 -9.321764 -50.153313 38.745308 1 5078 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 80.08 -8.223976 -49.828094 39.759533 1 5079 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 76.56 -8.193935 -50.824436 40.849323 1 5080 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 92.97 -8.166856 -47.577194 34.89927 1 5081 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 92.97 -6.7811375 -47.469185 34.45577 1 5082 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 92.58 -5.8866005 -48.275772 35.385426 1 5083 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 91.41 -6.02064 -48.1891 36.607956 1 5084 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 92.58 -6.334729 -46.002518 34.445004 1 5085 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 91.41 -6.936592 -45.147186 33.32528 1 5086 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 89.45 -6.749447 -43.677612 33.630733 1 5087 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 88.28 -6.2833147 -45.50772 31.99511 1 5088 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 91.8 -4.9832525 -49.066338 34.81288 1 5089 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 91.41 -4.0801535 -49.903175 35.59426 1 5090 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 91.41 -2.6841307 -49.28895 35.67878 1 5091 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 89.84 -2.1958132 -48.6941 34.713997 1 5092 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 89.84 -3.9684126 -51.299675 34.97176 1 5093 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 86.33 -5.267276 -52.076683 34.95991 1 5094 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 83.59 -5.0907845 -53.473328 34.388794 1 5095 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 80.47 -5.788762 -54.398476 34.85679 1 5096 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 79.3 -4.2536764 -53.658134 33.482437 1 5097 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 91.02 -2.0849504 -49.433273 36.83773 1 5098 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 90.62 -0.7306182 -48.945534 37.02413 1 5099 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 91.02 -0.5998944 -47.449127 36.915787 1 5100 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 89.45 -1.5518742 -46.70758 37.166824 1 5101 +ATOM N N . SER C0 3 236 . 236 SER C0 N 91.41 0.594017 -47.0142 36.517807 1 5102 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 91.02 0.8816564 -45.590977 36.37221 1 5103 +ATOM C C . SER C0 3 236 . 236 SER C0 C 91.8 1.1091725 -45.23314 34.918858 1 5104 +ATOM O O . SER C0 3 236 . 236 SER C0 O 90.62 1.4334509 -46.089485 34.09928 1 5105 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 89.45 2.1194983 -45.211308 37.19068 1 5106 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 85.55 1.9593985 -45.51617 38.563873 1 5107 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 92.97 0.90865207 -43.971203 34.59724 1 5108 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 93.36 1.1791359 -43.49073 33.251896 1 5109 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 93.36 2.6800709 -43.584106 33.005035 1 5110 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 92.58 3.4759727 -43.210052 33.865536 1 5111 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 92.58 0.6874629 -42.06294 33.09867 1 5112 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 93.75 3.064222 -44.083305 31.831554 1 5113 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 93.36 4.4724255 -44.24109 31.479528 1 5114 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 93.75 4.8162107 -43.28978 30.32894 1 5115 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 93.36 4.1189823 -43.258553 29.308 1 5116 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 92.58 4.7765093 -45.694447 31.067736 1 5117 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 89.06 6.235182 -45.845695 30.665483 1 5118 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 87.5 4.4337406 -46.654728 32.20327 1 5119 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 93.75 5.881256 -42.52025 30.503353 1 5120 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 93.75 6.2954483 -41.5811 29.467484 1 5121 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 93.75 6.914066 -42.32149 28.287373 1 5122 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 93.36 7.7640243 -43.185936 28.464012 1 5123 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 92.58 7.296538 -40.566505 30.039448 1 5124 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 89.84 7.770846 -39.564415 28.993116 1 5125 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 87.89 8.727602 -38.52689 29.535587 1 5126 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 84.77 8.811348 -38.386177 30.778507 1 5127 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 83.59 9.401331 -37.844284 28.74729 1 5128 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 93.75 6.467763 -41.965164 27.102448 1 5129 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 93.75 7.017127 -42.543808 25.8806 1 5130 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 93.36 8.316015 -41.815346 25.552204 1 5131 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 92.58 8.346542 -40.580307 25.492086 1 5132 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 93.36 6.0016637 -42.427483 24.723682 1 5133 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 91.8 4.8389235 -43.396534 24.984922 1 5134 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 91.02 6.663162 -42.703224 23.382341 1 5135 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 89.84 3.6936245 -43.280605 23.998863 1 5136 +ATOM N N . THR C0 3 241 . 241 THR C0 N 93.75 9.400613 -42.55323 25.354027 1 5137 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 93.36 10.703851 -41.957947 25.118902 1 5138 +ATOM C C . THR C0 3 241 . 241 THR C0 C 93.36 11.281731 -42.26785 23.742641 1 5139 +ATOM O O . THR C0 3 241 . 241 THR C0 O 92.58 12.365315 -41.779243 23.414173 1 5140 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 92.19 11.717642 -42.39212 26.193005 1 5141 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 89.45 11.842611 -43.81549 26.16904 1 5142 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 88.28 11.256249 -41.954197 27.584442 1 5143 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 93.36 10.591713 -43.10005 22.96793 1 5144 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 92.97 11.039181 -43.390236 21.609215 1 5145 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 93.75 9.850397 -43.763763 20.7356 1 5146 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 92.97 8.797609 -44.166733 21.23733 1 5147 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 92.19 12.101072 -44.497158 21.596333 1 5148 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 89.45 11.694574 -45.79756 22.25293 1 5149 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 86.72 12.901532 -46.737663 22.311918 1 5150 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 83.2 12.55101 -48.038017 23.002651 1 5151 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 79.3 13.715519 -48.943558 23.055534 1 5152 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 93.75 10.028861 -43.63378 19.424837 1 5153 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 93.75 8.938379 -43.833466 18.472134 1 5154 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 93.75 8.335138 -45.233444 18.540928 1 5155 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 93.36 7.1187363 -45.391983 18.399054 1 5156 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 93.36 9.438539 -43.553905 17.046936 1 5157 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 91.8 8.39085 -43.570435 15.932007 1 5158 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 90.23 9.063528 -43.3326 14.584133 1 5159 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 89.06 7.3145247 -42.535076 16.197853 1 5160 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 93.75 9.165324 -46.25286 18.747211 1 5161 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 93.36 8.672205 -47.628143 18.81812 1 5162 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 93.75 7.6449065 -47.80816 19.928303 1 5163 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 93.36 6.7442007 -48.64367 19.806435 1 5164 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 92.97 9.834494 -48.604446 19.023483 1 5165 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 89.06 10.633269 -48.846004 17.75598 1 5166 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 86.33 10.112921 -48.57808 16.652857 1 5167 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 84.77 11.789903 -49.304565 17.869024 1 5168 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 93.75 7.7598324 -47.043938 21.008749 1 5169 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 93.75 6.810725 -47.14354 22.107422 1 5170 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 93.75 5.442977 -46.57136 21.728077 1 5171 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 93.36 4.424416 -47.032658 22.228958 1 5172 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 92.97 7.367931 -46.437675 23.351284 1 5173 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 91.02 8.616911 -47.11826 23.883465 1 5174 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 89.84 9.282904 -46.368355 25.014183 1 5175 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 87.89 10.229151 -46.914772 25.613777 1 5176 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 87.5 8.877857 -45.223923 25.305882 1 5177 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 93.75 5.4163303 -45.552284 20.846691 1 5178 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 93.75 4.1393995 -45.039024 20.354708 1 5179 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 93.75 3.4970167 -46.096046 19.467232 1 5180 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 93.36 2.3051982 -46.36831 19.572243 1 5181 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 92.97 4.313527 -43.72737 19.562473 1 5182 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 91.41 4.979327 -42.658707 20.429125 1 5183 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 90.23 2.9567976 -43.244743 19.04438 1 5184 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 87.89 5.195753 -41.33096 19.692654 1 5185 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 93.75 4.317282 -46.703686 18.595745 1 5186 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 93.75 3.807332 -47.745903 17.705898 1 5187 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 92.97 3.2509813 -48.91749 18.512651 1 5188 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 92.97 2.1959472 -49.465416 18.163656 1 5189 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 93.36 4.9102383 -48.224937 16.752485 1 5190 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 92.58 5.331751 -47.175644 15.740194 1 5191 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 91.8 6.392214 -47.73999 14.796356 1 5192 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 89.06 6.776292 -46.701744 13.748854 1 5193 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 86.72 7.7970157 -47.212975 12.808542 1 5194 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 93.36 3.9304743 -49.294785 19.593315 1 5195 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 92.58 3.4492822 -50.378212 20.454107 1 5196 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 92.58 2.108778 -50.02237 21.085829 1 5197 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 92.19 1.2479165 -50.880764 21.241583 1 5198 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 91.8 4.4734545 -50.680206 21.550268 1 5199 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 88.67 5.6981907 -51.40013 21.021008 1 5200 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 85.94 5.66247 -51.981335 19.943647 1 5201 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 84.38 6.787217 -51.360703 21.781723 1 5202 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 92.58 1.9165854 -48.761948 21.434906 1 5203 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 92.58 0.67075944 -48.316498 22.04609 1 5204 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 92.19 -0.48200116 -48.34651 21.055567 1 5205 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 91.41 -1.6455543 -48.385025 21.470686 1 5206 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 91.8 0.8400635 -46.917763 22.606628 1 5207 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 92.97 -0.18300454 -48.350098 19.764153 1 5208 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 92.58 -1.2109368 -48.34808 18.736568 1 5209 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 91.8 -1.6013551 -49.756615 18.292675 1 5210 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 90.23 -2.57752 -49.916737 17.551916 1 5211 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 92.58 -0.7463515 -47.545906 17.515896 1 5212 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 92.19 -0.43594843 -46.072067 17.771833 1 5213 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 89.06 0.07840939 -45.434715 16.494518 1 5214 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 87.89 -1.6540605 -45.336716 18.29649 1 5215 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 90.62 -0.8811166 -50.77355 18.738129 1 5216 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 89.45 -1.1684835 -52.163063 18.366796 1 5217 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 87.89 -2.466381 -52.65793 19.005323 1 5218 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 86.72 -2.8304777 -52.222164 20.098665 1 5219 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 86.72 -0.026810732 -53.093086 18.781029 1 5220 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 83.98 1.2273571 -52.878204 17.966389 1 5221 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 81.25 2.3205252 -53.849655 18.431152 1 5222 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 78.12 3.5810814 -53.636444 17.609905 1 5223 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 76.17 4.652974 -54.513042 18.043201 1 5224 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 76.95 -3.1846457 -53.44449 18.360697 1 5225 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 76.95 -7.8908014 -2.0600162 -5.6303253 1 5226 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 76.56 -8.873611 -1.1230862 -5.6435003 1 5227 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 77.73 -7.695476 -2.6482153 -4.2767687 1 5228 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 75.39 -6.608554 -3.464851 -4.263103 1 5229 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 70.7 -6.593666 13.290226 -0.8327005 1 5230 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 69.92 -6.495002 12.317812 -1.7810374 1 5231 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 71.48 -7.973242 13.813285 -0.73702705 1 5232 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 68.36 -7.95803 15.119816 -0.3580613 1 5233 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 64.84 -3.2363133 -14.68383 -17.137775 1 5234 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 64.45 -3.8451715 -14.545307 -18.345488 1 5235 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 66.41 -3.0991454 -16.119246 -16.764336 1 5236 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 63.28 -2.4429662 -16.240696 -15.558964 1 5237 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 63.67 17.829765 -2.2834277 7.4416046 1 5238 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 62.5 16.62689 -2.6305275 6.898448 1 5239 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 65.62 18.97237 -2.9377933 6.7221127 1 5240 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 62.11 20.155739 -2.5277152 7.26078 1 5241 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 60.55 -1.2346103 34.32512 3.9193473 1 5242 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 60.16 -2.229625 35.056396 4.481438 1 5243 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 62.5 -1.2030551 34.509926 2.434432 1 5244 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 58.2 -0.3244727 33.612423 1.8571026 1 5245 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 63.67 1.9118929 31.984682 -28.197403 1 5246 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 63.28 1.972928 33.329414 -28.279774 1 5247 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 65.23 0.6442783 31.483017 -28.783604 1 5248 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 60.94 0.5118928 30.126663 -28.568167 1 5249 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 80.47 -5.4199615 -0.26203328 -3.359941 1 5250 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 71.09 -21.798698 17.883335 -20.426146 1 5251 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 66.8 -1.0480196 -15.380892 -4.1118546 1 5252 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 66.02 -3.5681262 29.372892 -9.509577 1 5253 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 59.38 14.726049 17.455078 8.370238 1 5254 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 65.62 -18.120039 40.022247 -15.152267 1 5255 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 64.45 0.44856825 -0.68344367 -27.22356 1 5256 +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_4_postprocessed.cif b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_4_postprocessed.cif new file mode 100644 index 0000000000000000000000000000000000000000..1821fd53c7d19b4b16712cfa39df7915b698e8e7 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_sample_4_postprocessed.cif @@ -0,0 +1,6691 @@ +data_8tuz-assembly1_seed_42_sample_4_predicted_by_protenix +# +_entry.id 8tuz-assembly1 +# +loop_ +_entity_poly.entity_id +_entity_poly.pdbx_strand_id +_entity_poly.type +1 A polypeptide(L) +2 B polypeptide(L) +3 C polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLU 1 +1 n VAL 2 +1 n GLN 3 +1 n LEU 4 +1 n VAL 5 +1 n GLN 6 +1 n SER 7 +1 n GLY 8 +1 n GLU 9 +1 n GLU 10 +1 n VAL 11 +1 n LYS 12 +1 n LYS 13 +1 n PRO 14 +1 n GLY 15 +1 n GLU 16 +1 n SER 17 +1 n LEU 18 +1 n LYS 19 +1 n ILE 20 +1 n SER 21 +1 n CYS 22 +1 n LYS 23 +1 n GLY 24 +1 n SER 25 +1 n GLY 26 +1 n TYR 27 +1 n LYS 28 +1 n PHE 29 +1 n SER 30 +1 n SER 31 +1 n TYR 32 +1 n TRP 33 +1 n ILE 34 +1 n GLY 35 +1 n TRP 36 +1 n VAL 37 +1 n ARG 38 +1 n GLN 39 +1 n MET 40 +1 n PRO 41 +1 n GLY 42 +1 n LYS 43 +1 n GLY 44 +1 n LEU 45 +1 n GLU 46 +1 n TRP 47 +1 n MET 48 +1 n GLY 49 +1 n ILE 50 +1 n ILE 51 +1 n PHE 52 +1 n PRO 53 +1 n GLY 54 +1 n ASP 55 +1 n SER 56 +1 n ASP 57 +1 n LYS 58 +1 n ARG 59 +1 n TYR 60 +1 n SER 61 +1 n PRO 62 +1 n SER 63 +1 n PHE 64 +1 n GLN 65 +1 n GLY 66 +1 n GLN 67 +1 n VAL 68 +1 n THR 69 +1 n ILE 70 +1 n SER 71 +1 n ALA 72 +1 n ASP 73 +1 n LYS 74 +1 n SER 75 +1 n ILE 76 +1 n SER 77 +1 n THR 78 +1 n VAL 79 +1 n TYR 80 +1 n LEU 81 +1 n GLN 82 +1 n TRP 83 +1 n SER 84 +1 n SER 85 +1 n LEU 86 +1 n LYS 87 +1 n ALA 88 +1 n SER 89 +1 n ASP 90 +1 n THR 91 +1 n ALA 92 +1 n MET 93 +1 n TYR 94 +1 n TYR 95 +1 n CYS 96 +1 n ALA 97 +1 n ARG 98 +1 n HIS 99 +1 n ILE 100 +1 n THR 101 +1 n THR 102 +1 n HIS 103 +1 n THR 104 +1 n TYR 105 +1 n ARG 106 +1 n GLY 107 +1 n PHE 108 +1 n PHE 109 +1 n ASP 110 +1 n PHE 111 +1 n TRP 112 +1 n GLY 113 +1 n GLN 114 +1 n GLY 115 +1 n THR 116 +1 n LEU 117 +1 n VAL 118 +1 n THR 119 +1 n VAL 120 +1 n SER 121 +1 n SER 122 +1 n ALA 123 +1 n SER 124 +1 n THR 125 +1 n LYS 126 +1 n GLY 127 +1 n PRO 128 +1 n SER 129 +1 n VAL 130 +1 n PHE 131 +1 n PRO 132 +1 n LEU 133 +1 n ALA 134 +1 n PRO 135 +1 n SER 136 +1 n SER 137 +1 n LYS 138 +1 n SER 139 +1 n THR 140 +1 n SER 141 +1 n GLY 142 +1 n GLY 143 +1 n THR 144 +1 n ALA 145 +1 n ALA 146 +1 n LEU 147 +1 n GLY 148 +1 n CYS 149 +1 n LEU 150 +1 n VAL 151 +1 n LYS 152 +1 n ASP 153 +1 n TYR 154 +1 n PHE 155 +1 n PRO 156 +1 n GLU 157 +1 n PRO 158 +1 n VAL 159 +1 n THR 160 +1 n VAL 161 +1 n SER 162 +1 n TRP 163 +1 n ASN 164 +1 n SER 165 +1 n GLY 166 +1 n ALA 167 +1 n LEU 168 +1 n THR 169 +1 n SER 170 +1 n GLY 171 +1 n VAL 172 +1 n HIS 173 +1 n THR 174 +1 n PHE 175 +1 n PRO 176 +1 n ALA 177 +1 n VAL 178 +1 n LEU 179 +1 n GLN 180 +1 n SER 181 +1 n SER 182 +1 n GLY 183 +1 n LEU 184 +1 n TYR 185 +1 n SER 186 +1 n LEU 187 +1 n SER 188 +1 n SER 189 +1 n VAL 190 +1 n VAL 191 +1 n THR 192 +1 n VAL 193 +1 n PRO 194 +1 n SER 195 +1 n SER 196 +1 n SER 197 +1 n LEU 198 +1 n GLY 199 +1 n THR 200 +1 n GLN 201 +1 n THR 202 +1 n TYR 203 +1 n ILE 204 +1 n CYS 205 +1 n ASN 206 +1 n VAL 207 +1 n ASN 208 +1 n HIS 209 +1 n LYS 210 +1 n PRO 211 +1 n SER 212 +1 n ASN 213 +1 n THR 214 +1 n LYS 215 +1 n VAL 216 +1 n ASP 217 +1 n LYS 218 +1 n ARG 219 +1 n VAL 220 +1 n GLU 221 +1 n PRO 222 +1 n LYS 223 +2 n GLN 1 +2 n LEU 2 +2 n THR 3 +2 n GLN 4 +2 n SER 5 +2 n PRO 6 +2 n SER 7 +2 n SER 8 +2 n LEU 9 +2 n SER 10 +2 n ALA 11 +2 n SER 12 +2 n VAL 13 +2 n GLY 14 +2 n ASP 15 +2 n ARG 16 +2 n VAL 17 +2 n THR 18 +2 n ILE 19 +2 n THR 20 +2 n CYS 21 +2 n ARG 22 +2 n ALA 23 +2 n SER 24 +2 n GLN 25 +2 n ASP 26 +2 n ILE 27 +2 n SER 28 +2 n SER 29 +2 n ALA 30 +2 n LEU 31 +2 n ALA 32 +2 n TRP 33 +2 n TYR 34 +2 n GLN 35 +2 n GLN 36 +2 n LYS 37 +2 n PRO 38 +2 n GLY 39 +2 n LYS 40 +2 n ALA 41 +2 n PRO 42 +2 n LYS 43 +2 n LEU 44 +2 n LEU 45 +2 n ILE 46 +2 n TYR 47 +2 n ASP 48 +2 n VAL 49 +2 n SER 50 +2 n SER 51 +2 n LEU 52 +2 n GLU 53 +2 n SER 54 +2 n GLY 55 +2 n VAL 56 +2 n PRO 57 +2 n SER 58 +2 n ARG 59 +2 n PHE 60 +2 n SER 61 +2 n GLY 62 +2 n SER 63 +2 n GLY 64 +2 n SER 65 +2 n GLY 66 +2 n THR 67 +2 n ASP 68 +2 n PHE 69 +2 n THR 70 +2 n LEU 71 +2 n THR 72 +2 n ILE 73 +2 n SER 74 +2 n SER 75 +2 n LEU 76 +2 n GLN 77 +2 n PRO 78 +2 n GLU 79 +2 n ASP 80 +2 n PHE 81 +2 n ALA 82 +2 n THR 83 +2 n TYR 84 +2 n TYR 85 +2 n CYS 86 +2 n GLN 87 +2 n GLN 88 +2 n PHE 89 +2 n ASN 90 +2 n GLY 91 +2 n TYR 92 +2 n PRO 93 +2 n HIS 94 +2 n ARG 95 +2 n LEU 96 +2 n THR 97 +2 n PHE 98 +2 n GLY 99 +2 n GLY 100 +2 n GLY 101 +2 n THR 102 +2 n LYS 103 +2 n VAL 104 +2 n GLU 105 +2 n ILE 106 +2 n LYS 107 +2 n ARG 108 +2 n THR 109 +2 n VAL 110 +2 n ALA 111 +2 n ALA 112 +2 n PRO 113 +2 n SER 114 +2 n VAL 115 +2 n PHE 116 +2 n ILE 117 +2 n PHE 118 +2 n PRO 119 +2 n PRO 120 +2 n SER 121 +2 n ASP 122 +2 n GLU 123 +2 n GLN 124 +2 n LEU 125 +2 n LYS 126 +2 n SER 127 +2 n GLY 128 +2 n THR 129 +2 n ALA 130 +2 n SER 131 +2 n VAL 132 +2 n VAL 133 +2 n CYS 134 +2 n LEU 135 +2 n LEU 136 +2 n ASN 137 +2 n ASN 138 +2 n PHE 139 +2 n TYR 140 +2 n PRO 141 +2 n ARG 142 +2 n GLU 143 +2 n ALA 144 +2 n LYS 145 +2 n VAL 146 +2 n GLN 147 +2 n TRP 148 +2 n LYS 149 +2 n VAL 150 +2 n ASP 151 +2 n ASN 152 +2 n ALA 153 +2 n LEU 154 +2 n GLN 155 +2 n SER 156 +2 n GLY 157 +2 n ASN 158 +2 n SER 159 +2 n GLN 160 +2 n GLU 161 +2 n SER 162 +2 n VAL 163 +2 n THR 164 +2 n GLU 165 +2 n GLN 166 +2 n ASP 167 +2 n SER 168 +2 n LYS 169 +2 n ASP 170 +2 n SER 171 +2 n THR 172 +2 n TYR 173 +2 n SER 174 +2 n LEU 175 +2 n SER 176 +2 n SER 177 +2 n THR 178 +2 n LEU 179 +2 n THR 180 +2 n LEU 181 +2 n SER 182 +2 n LYS 183 +2 n ALA 184 +2 n ASP 185 +2 n TYR 186 +2 n GLU 187 +2 n LYS 188 +2 n HIS 189 +2 n LYS 190 +2 n VAL 191 +2 n TYR 192 +2 n ALA 193 +2 n CYS 194 +2 n GLU 195 +2 n VAL 196 +2 n THR 197 +2 n HIS 198 +2 n GLN 199 +2 n GLY 200 +2 n LEU 201 +2 n SER 202 +2 n SER 203 +2 n PRO 204 +2 n VAL 205 +2 n THR 206 +2 n LYS 207 +2 n SER 208 +2 n PHE 209 +2 n ASN 210 +2 n ARG 211 +2 n GLY 212 +2 n GLU 213 +3 n SER 1 +3 n LEU 2 +3 n ASP 3 +3 n GLU 4 +3 n LYS 5 +3 n ASN 6 +3 n SER 7 +3 n VAL 8 +3 n SER 9 +3 n VAL 10 +3 n ASP 11 +3 n LEU 12 +3 n PRO 13 +3 n GLY 14 +3 n GLU 15 +3 n MET 16 +3 n LYS 17 +3 n VAL 18 +3 n LEU 19 +3 n VAL 20 +3 n SER 21 +3 n LYS 22 +3 n GLU 23 +3 n LYS 24 +3 n ASN 25 +3 n LYS 26 +3 n ASP 27 +3 n GLY 28 +3 n LYS 29 +3 n TYR 30 +3 n ASP 31 +3 n LEU 32 +3 n ILE 33 +3 n ALA 34 +3 n THR 35 +3 n VAL 36 +3 n ASP 37 +3 n LYS 38 +3 n LEU 39 +3 n GLU 40 +3 n LEU 41 +3 n LYS 42 +3 n GLY 43 +3 n THR 44 +3 n SER 45 +3 n ASP 46 +3 n LYS 47 +3 n ASN 48 +3 n ASN 49 +3 n GLY 50 +3 n SER 51 +3 n GLY 52 +3 n VAL 53 +3 n LEU 54 +3 n GLU 55 +3 n GLY 56 +3 n VAL 57 +3 n LYS 58 +3 n ALA 59 +3 n ASP 60 +3 n LYS 61 +3 n SER 62 +3 n LYS 63 +3 n VAL 64 +3 n LYS 65 +3 n LEU 66 +3 n THR 67 +3 n ILE 68 +3 n SER 69 +3 n ASP 70 +3 n ASP 71 +3 n LEU 72 +3 n GLY 73 +3 n GLN 74 +3 n THR 75 +3 n THR 76 +3 n LEU 77 +3 n GLU 78 +3 n VAL 79 +3 n PHE 80 +3 n LYS 81 +3 n GLU 82 +3 n ASP 83 +3 n GLY 84 +3 n LYS 85 +3 n THR 86 +3 n LEU 87 +3 n VAL 88 +3 n SER 89 +3 n LYS 90 +3 n LYS 91 +3 n VAL 92 +3 n THR 93 +3 n SER 94 +3 n LYS 95 +3 n ASP 96 +3 n LYS 97 +3 n SER 98 +3 n SER 99 +3 n THR 100 +3 n GLU 101 +3 n GLU 102 +3 n LYS 103 +3 n PHE 104 +3 n ASN 105 +3 n GLU 106 +3 n LYS 107 +3 n GLY 108 +3 n GLU 109 +3 n VAL 110 +3 n SER 111 +3 n GLU 112 +3 n LYS 113 +3 n ILE 114 +3 n ILE 115 +3 n THR 116 +3 n ARG 117 +3 n ALA 118 +3 n ASP 119 +3 n GLY 120 +3 n THR 121 +3 n ARG 122 +3 n LEU 123 +3 n GLU 124 +3 n TYR 125 +3 n THR 126 +3 n GLY 127 +3 n ILE 128 +3 n LYS 129 +3 n SER 130 +3 n ASP 131 +3 n GLY 132 +3 n SER 133 +3 n GLY 134 +3 n LYS 135 +3 n ALA 136 +3 n LYS 137 +3 n GLU 138 +3 n VAL 139 +3 n LEU 140 +3 n LYS 141 +3 n GLY 142 +3 n TYR 143 +3 n VAL 144 +3 n LEU 145 +3 n GLU 146 +3 n GLY 147 +3 n THR 148 +3 n LEU 149 +3 n THR 150 +3 n ALA 151 +3 n GLU 152 +3 n LYS 153 +3 n THR 154 +3 n THR 155 +3 n LEU 156 +3 n VAL 157 +3 n VAL 158 +3 n LYS 159 +3 n GLU 160 +3 n GLY 161 +3 n THR 162 +3 n VAL 163 +3 n THR 164 +3 n LEU 165 +3 n SER 166 +3 n LYS 167 +3 n ASN 168 +3 n ILE 169 +3 n SER 170 +3 n LYS 171 +3 n SER 172 +3 n GLY 173 +3 n GLU 174 +3 n VAL 175 +3 n SER 176 +3 n VAL 177 +3 n GLU 178 +3 n LEU 179 +3 n ASN 180 +3 n ASP 181 +3 n THR 182 +3 n ASP 183 +3 n SER 184 +3 n SER 185 +3 n ALA 186 +3 n ALA 187 +3 n THR 188 +3 n LYS 189 +3 n LYS 190 +3 n THR 191 +3 n ALA 192 +3 n ALA 193 +3 n TRP 194 +3 n ASN 195 +3 n SER 196 +3 n GLY 197 +3 n THR 198 +3 n SER 199 +3 n THR 200 +3 n LEU 201 +3 n THR 202 +3 n ILE 203 +3 n THR 204 +3 n VAL 205 +3 n ASN 206 +3 n SER 207 +3 n LYS 208 +3 n LYS 209 +3 n THR 210 +3 n LYS 211 +3 n ASP 212 +3 n LEU 213 +3 n VAL 214 +3 n PHE 215 +3 n THR 216 +3 n LYS 217 +3 n GLU 218 +3 n ASN 219 +3 n THR 220 +3 n ILE 221 +3 n THR 222 +3 n VAL 223 +3 n GLN 224 +3 n GLN 225 +3 n TYR 226 +3 n ASP 227 +3 n SER 228 +3 n ASN 229 +3 n GLY 230 +3 n THR 231 +3 n LYS 232 +3 n LEU 233 +3 n GLU 234 +3 n GLY 235 +3 n SER 236 +3 n ALA 237 +3 n VAL 238 +3 n GLU 239 +3 n ILE 240 +3 n THR 241 +3 n LYS 242 +3 n LEU 243 +3 n ASP 244 +3 n GLU 245 +3 n ILE 246 +3 n LYS 247 +3 n ASN 248 +3 n ALA 249 +3 n LEU 250 +3 n LYS 251 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_value_order +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr2_PDB_ins_code +1 covale sing A0 A0 GLU VAL 1 2 C N . . +2 covale sing A0 A0 VAL GLN 2 3 C N . . +3 covale sing A0 A0 GLN LEU 3 4 C N . . +4 covale sing A0 A0 LEU VAL 4 5 C N . . +5 covale sing A0 A0 VAL GLN 5 6 C N . . +6 covale sing A0 A0 GLN SER 6 7 C N . . +7 covale sing A0 A0 SER GLY 7 8 C N . . +8 covale sing A0 A0 GLY GLU 8 9 C N . . +9 covale sing A0 A0 GLU GLU 9 10 C N . . +10 covale sing A0 A0 GLU VAL 10 11 C N . . +11 covale sing A0 A0 VAL LYS 11 12 C N . . +12 covale sing A0 A0 LYS LYS 12 13 C N . . +13 covale sing A0 A0 LYS PRO 13 14 C N . . +14 covale sing A0 A0 PRO GLY 14 15 C N . . +15 covale sing A0 A0 GLY GLU 15 16 C N . . +16 covale sing A0 A0 GLU SER 16 17 C N . . +17 covale sing A0 A0 SER LEU 17 18 C N . . +18 covale sing A0 A0 LEU LYS 18 19 C N . . +19 covale sing A0 A0 LYS ILE 19 20 C N . . +20 covale sing A0 A0 ILE SER 20 21 C N . . +21 covale sing A0 A0 SER CYS 21 22 C N . . +22 covale sing A0 A0 CYS LYS 22 23 C N . . +23 covale sing A0 A0 LYS GLY 23 24 C N . . +24 covale sing A0 A0 GLY SER 24 25 C N . . +25 covale sing A0 A0 SER GLY 25 26 C N . . +26 covale sing A0 A0 GLY TYR 26 27 C N . . +27 covale sing A0 A0 TYR LYS 27 28 C N . . +28 covale sing A0 A0 LYS PHE 28 29 C N . . +29 covale sing A0 A0 PHE SER 29 30 C N . . +30 covale sing A0 A0 SER SER 30 31 C N . . +31 covale sing A0 A0 SER TYR 31 32 C N . . +32 covale sing A0 A0 TYR TRP 32 33 C N . . +33 covale sing A0 A0 TRP ILE 33 34 C N . . +34 covale sing A0 A0 ILE GLY 34 35 C N . . +35 covale sing A0 A0 GLY TRP 35 36 C N . . +36 covale sing A0 A0 TRP VAL 36 37 C N . . +37 covale sing A0 A0 VAL ARG 37 38 C N . . +38 covale sing A0 A0 ARG GLN 38 39 C N . . +39 covale sing A0 A0 GLN MET 39 40 C N . . +40 covale sing A0 A0 MET PRO 40 41 C N . . +41 covale sing A0 A0 PRO GLY 41 42 C N . . +42 covale sing A0 A0 GLY LYS 42 43 C N . . +43 covale sing A0 A0 LYS GLY 43 44 C N . . +44 covale sing A0 A0 GLY LEU 44 45 C N . . +45 covale sing A0 A0 LEU GLU 45 46 C N . . +46 covale sing A0 A0 GLU TRP 46 47 C N . . +47 covale sing A0 A0 TRP MET 47 48 C N . . +48 covale sing A0 A0 MET GLY 48 49 C N . . +49 covale sing A0 A0 GLY ILE 49 50 C N . . +50 covale sing A0 A0 ILE ILE 50 51 C N . . +51 covale sing A0 A0 ILE PHE 51 52 C N . . +52 covale sing A0 A0 PHE PRO 52 53 C N . . +53 covale sing A0 A0 PRO GLY 53 54 C N . . +54 covale sing A0 A0 GLY ASP 54 55 C N . . +55 covale sing A0 A0 ASP SER 55 56 C N . . +56 covale sing A0 A0 SER ASP 56 57 C N . . +57 covale sing A0 A0 ASP LYS 57 58 C N . . +58 covale sing A0 A0 LYS ARG 58 59 C N . . +59 covale sing A0 A0 ARG TYR 59 60 C N . . +60 covale sing A0 A0 TYR SER 60 61 C N . . +61 covale sing A0 A0 SER PRO 61 62 C N . . +62 covale sing A0 A0 PRO SER 62 63 C N . . +63 covale sing A0 A0 SER PHE 63 64 C N . . +64 covale sing A0 A0 PHE GLN 64 65 C N . . +65 covale sing A0 A0 GLN GLY 65 66 C N . . +66 covale sing A0 A0 GLY GLN 66 67 C N . . +67 covale sing A0 A0 GLN VAL 67 68 C N . . +68 covale sing A0 A0 VAL THR 68 69 C N . . +69 covale sing A0 A0 THR ILE 69 70 C N . . +70 covale sing A0 A0 ILE SER 70 71 C N . . +71 covale sing A0 A0 SER ALA 71 72 C N . . +72 covale sing A0 A0 ALA ASP 72 73 C N . . +73 covale sing A0 A0 ASP LYS 73 74 C N . . +74 covale sing A0 A0 LYS SER 74 75 C N . . +75 covale sing A0 A0 SER ILE 75 76 C N . . +76 covale sing A0 A0 ILE SER 76 77 C N . . +77 covale sing A0 A0 SER THR 77 78 C N . . +78 covale sing A0 A0 THR VAL 78 79 C N . . +79 covale sing A0 A0 VAL TYR 79 80 C N . . +80 covale sing A0 A0 TYR LEU 80 81 C N . . +81 covale sing A0 A0 LEU GLN 81 82 C N . . +82 covale sing A0 A0 GLN TRP 82 83 C N . . +83 covale sing A0 A0 TRP SER 83 84 C N . . +84 covale sing A0 A0 SER SER 84 85 C N . . +85 covale sing A0 A0 SER LEU 85 86 C N . . +86 covale sing A0 A0 LEU LYS 86 87 C N . . +87 covale sing A0 A0 LYS ALA 87 88 C N . . +88 covale sing A0 A0 ALA SER 88 89 C N . . +89 covale sing A0 A0 SER ASP 89 90 C N . . +90 covale sing A0 A0 ASP THR 90 91 C N . . +91 covale sing A0 A0 THR ALA 91 92 C N . . +92 covale sing A0 A0 ALA MET 92 93 C N . . +93 covale sing A0 A0 MET TYR 93 94 C N . . +94 covale sing A0 A0 TYR TYR 94 95 C N . . +95 covale sing A0 A0 TYR CYS 95 96 C N . . +96 covale sing A0 A0 CYS ALA 96 97 C N . . +97 covale sing A0 A0 ALA ARG 97 98 C N . . +98 covale sing A0 A0 ARG HIS 98 99 C N . . +99 covale sing A0 A0 HIS ILE 99 100 C N . . +100 covale sing A0 A0 ILE THR 100 101 C N . . +101 covale sing A0 A0 THR THR 101 102 C N . . +102 covale sing A0 A0 THR HIS 102 103 C N . . +103 covale sing A0 A0 HIS THR 103 104 C N . . +104 covale sing A0 A0 THR TYR 104 105 C N . . +105 covale sing A0 A0 TYR ARG 105 106 C N . . +106 covale sing A0 A0 ARG GLY 106 107 C N . . +107 covale sing A0 A0 GLY PHE 107 108 C N . . +108 covale sing A0 A0 PHE PHE 108 109 C N . . +109 covale sing A0 A0 PHE ASP 109 110 C N . . +110 covale sing A0 A0 ASP PHE 110 111 C N . . +111 covale sing A0 A0 PHE TRP 111 112 C N . . +112 covale sing A0 A0 TRP GLY 112 113 C N . . +113 covale sing A0 A0 GLY GLN 113 114 C N . . +114 covale sing A0 A0 GLN GLY 114 115 C N . . +115 covale sing A0 A0 GLY THR 115 116 C N . . +116 covale sing A0 A0 THR LEU 116 117 C N . . +117 covale sing A0 A0 LEU VAL 117 118 C N . . +118 covale sing A0 A0 VAL THR 118 119 C N . . +119 covale sing A0 A0 THR VAL 119 120 C N . . +120 covale sing A0 A0 VAL SER 120 121 C N . . +121 covale sing A0 A0 SER SER 121 122 C N . . +122 covale sing A0 A0 SER ALA 122 123 C N . . +123 covale sing A0 A0 ALA SER 123 124 C N . . +124 covale sing A0 A0 SER THR 124 125 C N . . +125 covale sing A0 A0 THR LYS 125 126 C N . . +126 covale sing A0 A0 LYS GLY 126 127 C N . . +127 covale sing A0 A0 GLY PRO 127 128 C N . . +128 covale sing A0 A0 PRO SER 128 129 C N . . +129 covale sing A0 A0 SER VAL 129 130 C N . . +130 covale sing A0 A0 VAL PHE 130 131 C N . . +131 covale sing A0 A0 PHE PRO 131 132 C N . . +132 covale sing A0 A0 PRO LEU 132 133 C N . . +133 covale sing A0 A0 LEU ALA 133 134 C N . . +134 covale sing A0 A0 ALA PRO 134 135 C N . . +135 covale sing A0 A0 PRO SER 135 136 C N . . +136 covale sing A0 A0 SER SER 136 137 C N . . +137 covale sing A0 A0 SER LYS 137 138 C N . . +138 covale sing A0 A0 LYS SER 138 139 C N . . +139 covale sing A0 A0 SER THR 139 140 C N . . +140 covale sing A0 A0 THR SER 140 141 C N . . +141 covale sing A0 A0 SER GLY 141 142 C N . . +142 covale sing A0 A0 GLY GLY 142 143 C N . . +143 covale sing A0 A0 GLY THR 143 144 C N . . +144 covale sing A0 A0 THR ALA 144 145 C N . . +145 covale sing A0 A0 ALA ALA 145 146 C N . . +146 covale sing A0 A0 ALA LEU 146 147 C N . . +147 covale sing A0 A0 LEU GLY 147 148 C N . . +148 covale sing A0 A0 GLY CYS 148 149 C N . . +149 covale sing A0 A0 CYS LEU 149 150 C N . . +150 covale sing A0 A0 LEU VAL 150 151 C N . . +151 covale sing A0 A0 VAL LYS 151 152 C N . . +152 covale sing A0 A0 LYS ASP 152 153 C N . . +153 covale sing A0 A0 ASP TYR 153 154 C N . . +154 covale sing A0 A0 TYR PHE 154 155 C N . . +155 covale sing A0 A0 PHE PRO 155 156 C N . . +156 covale sing A0 A0 PRO GLU 156 157 C N . . +157 covale sing A0 A0 GLU PRO 157 158 C N . . +158 covale sing A0 A0 PRO VAL 158 159 C N . . +159 covale sing A0 A0 VAL THR 159 160 C N . . +160 covale sing A0 A0 THR VAL 160 161 C N . . +161 covale sing A0 A0 VAL SER 161 162 C N . . +162 covale sing A0 A0 SER TRP 162 163 C N . . +163 covale sing A0 A0 TRP ASN 163 164 C N . . +164 covale sing A0 A0 ASN SER 164 165 C N . . +165 covale sing A0 A0 SER GLY 165 166 C N . . +166 covale sing A0 A0 GLY ALA 166 167 C N . . +167 covale sing A0 A0 ALA LEU 167 168 C N . . +168 covale sing A0 A0 LEU THR 168 169 C N . . +169 covale sing A0 A0 THR SER 169 170 C N . . +170 covale sing A0 A0 SER GLY 170 171 C N . . +171 covale sing A0 A0 GLY VAL 171 172 C N . . +172 covale sing A0 A0 VAL HIS 172 173 C N . . +173 covale sing A0 A0 HIS THR 173 174 C N . . +174 covale sing A0 A0 THR PHE 174 175 C N . . +175 covale sing A0 A0 PHE PRO 175 176 C N . . +176 covale sing A0 A0 PRO ALA 176 177 C N . . +177 covale sing A0 A0 ALA VAL 177 178 C N . . +178 covale sing A0 A0 VAL LEU 178 179 C N . . +179 covale sing A0 A0 LEU GLN 179 180 C N . . +180 covale sing A0 A0 GLN SER 180 181 C N . . +181 covale sing A0 A0 SER SER 181 182 C N . . +182 covale sing A0 A0 SER GLY 182 183 C N . . +183 covale sing A0 A0 GLY LEU 183 184 C N . . +184 covale sing A0 A0 LEU TYR 184 185 C N . . +185 covale sing A0 A0 TYR SER 185 186 C N . . +186 covale sing A0 A0 SER LEU 186 187 C N . . +187 covale sing A0 A0 LEU SER 187 188 C N . . +188 covale sing A0 A0 SER SER 188 189 C N . . +189 covale sing A0 A0 SER VAL 189 190 C N . . +190 covale sing A0 A0 VAL VAL 190 191 C N . . +191 covale sing A0 A0 VAL THR 191 192 C N . . +192 covale sing A0 A0 THR VAL 192 193 C N . . +193 covale sing A0 A0 VAL PRO 193 194 C N . . +194 covale sing A0 A0 PRO SER 194 195 C N . . +195 covale sing A0 A0 SER SER 195 196 C N . . +196 covale sing A0 A0 SER SER 196 197 C N . . +197 covale sing A0 A0 SER LEU 197 198 C N . . +198 covale sing A0 A0 LEU GLY 198 199 C N . . +199 covale sing A0 A0 GLY THR 199 200 C N . . +200 covale sing A0 A0 THR GLN 200 201 C N . . +201 covale sing A0 A0 GLN THR 201 202 C N . . +202 covale sing A0 A0 THR TYR 202 203 C N . . +203 covale sing A0 A0 TYR ILE 203 204 C N . . +204 covale sing A0 A0 ILE CYS 204 205 C N . . +205 covale sing A0 A0 CYS ASN 205 206 C N . . +206 covale sing A0 A0 ASN VAL 206 207 C N . . +207 covale sing A0 A0 VAL ASN 207 208 C N . . +208 covale sing A0 A0 ASN HIS 208 209 C N . . +209 covale sing A0 A0 HIS LYS 209 210 C N . . +210 covale sing A0 A0 LYS PRO 210 211 C N . . +211 covale sing A0 A0 PRO SER 211 212 C N . . +212 covale sing A0 A0 SER ASN 212 213 C N . . +213 covale sing A0 A0 ASN THR 213 214 C N . . +214 covale sing A0 A0 THR LYS 214 215 C N . . +215 covale sing A0 A0 LYS VAL 215 216 C N . . +216 covale sing A0 A0 VAL ASP 216 217 C N . . +217 covale sing A0 A0 ASP LYS 217 218 C N . . +218 covale sing A0 A0 LYS ARG 218 219 C N . . +219 covale sing A0 A0 ARG VAL 219 220 C N . . +220 covale sing A0 A0 VAL GLU 220 221 C N . . +221 covale sing A0 A0 GLU PRO 221 222 C N . . +222 covale sing A0 A0 PRO LYS 222 223 C N . . +223 covale sing B0 B0 GLN LEU 1 2 C N . . +224 covale sing B0 B0 LEU THR 2 3 C N . . +225 covale sing B0 B0 THR GLN 3 4 C N . . +226 covale sing B0 B0 GLN SER 4 5 C N . . +227 covale sing B0 B0 SER PRO 5 6 C N . . +228 covale sing B0 B0 PRO SER 6 7 C N . . +229 covale sing B0 B0 SER SER 7 8 C N . . +230 covale sing B0 B0 SER LEU 8 9 C N . . +231 covale sing B0 B0 LEU SER 9 10 C N . . +232 covale sing B0 B0 SER ALA 10 11 C N . . +233 covale sing B0 B0 ALA SER 11 12 C N . . +234 covale sing B0 B0 SER VAL 12 13 C N . . +235 covale sing B0 B0 VAL GLY 13 14 C N . . +236 covale sing B0 B0 GLY ASP 14 15 C N . . +237 covale sing B0 B0 ASP ARG 15 16 C N . . +238 covale sing B0 B0 ARG VAL 16 17 C N . . +239 covale sing B0 B0 VAL THR 17 18 C N . . +240 covale sing B0 B0 THR ILE 18 19 C N . . +241 covale sing B0 B0 ILE THR 19 20 C N . . +242 covale sing B0 B0 THR CYS 20 21 C N . . +243 covale sing B0 B0 CYS ARG 21 22 C N . . +244 covale sing B0 B0 ARG ALA 22 23 C N . . +245 covale sing B0 B0 ALA SER 23 24 C N . . +246 covale sing B0 B0 SER GLN 24 25 C N . . +247 covale sing B0 B0 GLN ASP 25 26 C N . . +248 covale sing B0 B0 ASP ILE 26 27 C N . . +249 covale sing B0 B0 ILE SER 27 28 C N . . +250 covale sing B0 B0 SER SER 28 29 C N . . +251 covale sing B0 B0 SER ALA 29 30 C N . . +252 covale sing B0 B0 ALA LEU 30 31 C N . . +253 covale sing B0 B0 LEU ALA 31 32 C N . . +254 covale sing B0 B0 ALA TRP 32 33 C N . . +255 covale sing B0 B0 TRP TYR 33 34 C N . . +256 covale sing B0 B0 TYR GLN 34 35 C N . . +257 covale sing B0 B0 GLN GLN 35 36 C N . . +258 covale sing B0 B0 GLN LYS 36 37 C N . . +259 covale sing B0 B0 LYS PRO 37 38 C N . . +260 covale sing B0 B0 PRO GLY 38 39 C N . . +261 covale sing B0 B0 GLY LYS 39 40 C N . . +262 covale sing B0 B0 LYS ALA 40 41 C N . . +263 covale sing B0 B0 ALA PRO 41 42 C N . . +264 covale sing B0 B0 PRO LYS 42 43 C N . . +265 covale sing B0 B0 LYS LEU 43 44 C N . . +266 covale sing B0 B0 LEU LEU 44 45 C N . . +267 covale sing B0 B0 LEU ILE 45 46 C N . . +268 covale sing B0 B0 ILE TYR 46 47 C N . . +269 covale sing B0 B0 TYR ASP 47 48 C N . . +270 covale sing B0 B0 ASP VAL 48 49 C N . . +271 covale sing B0 B0 VAL SER 49 50 C N . . +272 covale sing B0 B0 SER SER 50 51 C N . . +273 covale sing B0 B0 SER LEU 51 52 C N . . +274 covale sing B0 B0 LEU GLU 52 53 C N . . +275 covale sing B0 B0 GLU SER 53 54 C N . . +276 covale sing B0 B0 SER GLY 54 55 C N . . +277 covale sing B0 B0 GLY VAL 55 56 C N . . +278 covale sing B0 B0 VAL PRO 56 57 C N . . +279 covale sing B0 B0 PRO SER 57 58 C N . . +280 covale sing B0 B0 SER ARG 58 59 C N . . +281 covale sing B0 B0 ARG PHE 59 60 C N . . +282 covale sing B0 B0 PHE SER 60 61 C N . . +283 covale sing B0 B0 SER GLY 61 62 C N . . +284 covale sing B0 B0 GLY SER 62 63 C N . . +285 covale sing B0 B0 SER GLY 63 64 C N . . +286 covale sing B0 B0 GLY SER 64 65 C N . . +287 covale sing B0 B0 SER GLY 65 66 C N . . +288 covale sing B0 B0 GLY THR 66 67 C N . . +289 covale sing B0 B0 THR ASP 67 68 C N . . +290 covale sing B0 B0 ASP PHE 68 69 C N . . +291 covale sing B0 B0 PHE THR 69 70 C N . . +292 covale sing B0 B0 THR LEU 70 71 C N . . +293 covale sing B0 B0 LEU THR 71 72 C N . . +294 covale sing B0 B0 THR ILE 72 73 C N . . +295 covale sing B0 B0 ILE SER 73 74 C N . . +296 covale sing B0 B0 SER SER 74 75 C N . . +297 covale sing B0 B0 SER LEU 75 76 C N . . +298 covale sing B0 B0 LEU GLN 76 77 C N . . +299 covale sing B0 B0 GLN PRO 77 78 C N . . +300 covale sing B0 B0 PRO GLU 78 79 C N . . +301 covale sing B0 B0 GLU ASP 79 80 C N . . +302 covale sing B0 B0 ASP PHE 80 81 C N . . +303 covale sing B0 B0 PHE ALA 81 82 C N . . +304 covale sing B0 B0 ALA THR 82 83 C N . . +305 covale sing B0 B0 THR TYR 83 84 C N . . +306 covale sing B0 B0 TYR TYR 84 85 C N . . +307 covale sing B0 B0 TYR CYS 85 86 C N . . +308 covale sing B0 B0 CYS GLN 86 87 C N . . +309 covale sing B0 B0 GLN GLN 87 88 C N . . +310 covale sing B0 B0 GLN PHE 88 89 C N . . +311 covale sing B0 B0 PHE ASN 89 90 C N . . +312 covale sing B0 B0 ASN GLY 90 91 C N . . +313 covale sing B0 B0 GLY TYR 91 92 C N . . +314 covale sing B0 B0 TYR PRO 92 93 C N . . +315 covale sing B0 B0 PRO HIS 93 94 C N . . +316 covale sing B0 B0 HIS ARG 94 95 C N . . +317 covale sing B0 B0 ARG LEU 95 96 C N . . +318 covale sing B0 B0 LEU THR 96 97 C N . . +319 covale sing B0 B0 THR PHE 97 98 C N . . +320 covale sing B0 B0 PHE GLY 98 99 C N . . +321 covale sing B0 B0 GLY GLY 99 100 C N . . +322 covale sing B0 B0 GLY GLY 100 101 C N . . +323 covale sing B0 B0 GLY THR 101 102 C N . . +324 covale sing B0 B0 THR LYS 102 103 C N . . +325 covale sing B0 B0 LYS VAL 103 104 C N . . +326 covale sing B0 B0 VAL GLU 104 105 C N . . +327 covale sing B0 B0 GLU ILE 105 106 C N . . +328 covale sing B0 B0 ILE LYS 106 107 C N . . +329 covale sing B0 B0 LYS ARG 107 108 C N . . +330 covale sing B0 B0 ARG THR 108 109 C N . . +331 covale sing B0 B0 THR VAL 109 110 C N . . +332 covale sing B0 B0 VAL ALA 110 111 C N . . +333 covale sing B0 B0 ALA ALA 111 112 C N . . +334 covale sing B0 B0 ALA PRO 112 113 C N . . +335 covale sing B0 B0 PRO SER 113 114 C N . . +336 covale sing B0 B0 SER VAL 114 115 C N . . +337 covale sing B0 B0 VAL PHE 115 116 C N . . +338 covale sing B0 B0 PHE ILE 116 117 C N . . +339 covale sing B0 B0 ILE PHE 117 118 C N . . +340 covale sing B0 B0 PHE PRO 118 119 C N . . +341 covale sing B0 B0 PRO PRO 119 120 C N . . +342 covale sing B0 B0 PRO SER 120 121 C N . . +343 covale sing B0 B0 SER ASP 121 122 C N . . +344 covale sing B0 B0 ASP GLU 122 123 C N . . +345 covale sing B0 B0 GLU GLN 123 124 C N . . +346 covale sing B0 B0 GLN LEU 124 125 C N . . +347 covale sing B0 B0 LEU LYS 125 126 C N . . +348 covale sing B0 B0 LYS SER 126 127 C N . . +349 covale sing B0 B0 SER GLY 127 128 C N . . +350 covale sing B0 B0 GLY THR 128 129 C N . . +351 covale sing B0 B0 THR ALA 129 130 C N . . +352 covale sing B0 B0 ALA SER 130 131 C N . . +353 covale sing B0 B0 SER VAL 131 132 C N . . +354 covale sing B0 B0 VAL VAL 132 133 C N . . +355 covale sing B0 B0 VAL CYS 133 134 C N . . +356 covale sing B0 B0 CYS LEU 134 135 C N . . +357 covale sing B0 B0 LEU LEU 135 136 C N . . +358 covale sing B0 B0 LEU ASN 136 137 C N . . +359 covale sing B0 B0 ASN ASN 137 138 C N . . +360 covale sing B0 B0 ASN PHE 138 139 C N . . +361 covale sing B0 B0 PHE TYR 139 140 C N . . +362 covale sing B0 B0 TYR PRO 140 141 C N . . +363 covale sing B0 B0 PRO ARG 141 142 C N . . +364 covale sing B0 B0 ARG GLU 142 143 C N . . +365 covale sing B0 B0 GLU ALA 143 144 C N . . +366 covale sing B0 B0 ALA LYS 144 145 C N . . +367 covale sing B0 B0 LYS VAL 145 146 C N . . +368 covale sing B0 B0 VAL GLN 146 147 C N . . +369 covale sing B0 B0 GLN TRP 147 148 C N . . +370 covale sing B0 B0 TRP LYS 148 149 C N . . +371 covale sing B0 B0 LYS VAL 149 150 C N . . +372 covale sing B0 B0 VAL ASP 150 151 C N . . +373 covale sing B0 B0 ASP ASN 151 152 C N . . +374 covale sing B0 B0 ASN ALA 152 153 C N . . +375 covale sing B0 B0 ALA LEU 153 154 C N . . +376 covale sing B0 B0 LEU GLN 154 155 C N . . +377 covale sing B0 B0 GLN SER 155 156 C N . . +378 covale sing B0 B0 SER GLY 156 157 C N . . +379 covale sing B0 B0 GLY ASN 157 158 C N . . +380 covale sing B0 B0 ASN SER 158 159 C N . . +381 covale sing B0 B0 SER GLN 159 160 C N . . +382 covale sing B0 B0 GLN GLU 160 161 C N . . +383 covale sing B0 B0 GLU SER 161 162 C N . . +384 covale sing B0 B0 SER VAL 162 163 C N . . +385 covale sing B0 B0 VAL THR 163 164 C N . . +386 covale sing B0 B0 THR GLU 164 165 C N . . +387 covale sing B0 B0 GLU GLN 165 166 C N . . +388 covale sing B0 B0 GLN ASP 166 167 C N . . +389 covale sing B0 B0 ASP SER 167 168 C N . . +390 covale sing B0 B0 SER LYS 168 169 C N . . +391 covale sing B0 B0 LYS ASP 169 170 C N . . +392 covale sing B0 B0 ASP SER 170 171 C N . . +393 covale sing B0 B0 SER THR 171 172 C N . . +394 covale sing B0 B0 THR TYR 172 173 C N . . +395 covale sing B0 B0 TYR SER 173 174 C N . . +396 covale sing B0 B0 SER LEU 174 175 C N . . +397 covale sing B0 B0 LEU SER 175 176 C N . . +398 covale sing B0 B0 SER SER 176 177 C N . . +399 covale sing B0 B0 SER THR 177 178 C N . . +400 covale sing B0 B0 THR LEU 178 179 C N . . +401 covale sing B0 B0 LEU THR 179 180 C N . . +402 covale sing B0 B0 THR LEU 180 181 C N . . +403 covale sing B0 B0 LEU SER 181 182 C N . . +404 covale sing B0 B0 SER LYS 182 183 C N . . +405 covale sing B0 B0 LYS ALA 183 184 C N . . +406 covale sing B0 B0 ALA ASP 184 185 C N . . +407 covale sing B0 B0 ASP TYR 185 186 C N . . +408 covale sing B0 B0 TYR GLU 186 187 C N . . +409 covale sing B0 B0 GLU LYS 187 188 C N . . +410 covale sing B0 B0 LYS HIS 188 189 C N . . +411 covale sing B0 B0 HIS LYS 189 190 C N . . +412 covale sing B0 B0 LYS VAL 190 191 C N . . +413 covale sing B0 B0 VAL TYR 191 192 C N . . +414 covale sing B0 B0 TYR ALA 192 193 C N . . +415 covale sing B0 B0 ALA CYS 193 194 C N . . +416 covale sing B0 B0 CYS GLU 194 195 C N . . +417 covale sing B0 B0 GLU VAL 195 196 C N . . +418 covale sing B0 B0 VAL THR 196 197 C N . . +419 covale sing B0 B0 THR HIS 197 198 C N . . +420 covale sing B0 B0 HIS GLN 198 199 C N . . +421 covale sing B0 B0 GLN GLY 199 200 C N . . +422 covale sing B0 B0 GLY LEU 200 201 C N . . +423 covale sing B0 B0 LEU SER 201 202 C N . . +424 covale sing B0 B0 SER SER 202 203 C N . . +425 covale sing B0 B0 SER PRO 203 204 C N . . +426 covale sing B0 B0 PRO VAL 204 205 C N . . +427 covale sing B0 B0 VAL THR 205 206 C N . . +428 covale sing B0 B0 THR LYS 206 207 C N . . +429 covale sing B0 B0 LYS SER 207 208 C N . . +430 covale sing B0 B0 SER PHE 208 209 C N . . +431 covale sing B0 B0 PHE ASN 209 210 C N . . +432 covale sing B0 B0 ASN ARG 210 211 C N . . +433 covale sing B0 B0 ARG GLY 211 212 C N . . +434 covale sing B0 B0 GLY GLU 212 213 C N . . +435 covale sing C0 C0 SER LEU 1 2 C N . . +436 covale sing C0 C0 LEU ASP 2 3 C N . . +437 covale sing C0 C0 ASP GLU 3 4 C N . . +438 covale sing C0 C0 GLU LYS 4 5 C N . . +439 covale sing C0 C0 LYS ASN 5 6 C N . . +440 covale sing C0 C0 ASN SER 6 7 C N . . +441 covale sing C0 C0 SER VAL 7 8 C N . . +442 covale sing C0 C0 VAL SER 8 9 C N . . +443 covale sing C0 C0 SER VAL 9 10 C N . . +444 covale sing C0 C0 VAL ASP 10 11 C N . . +445 covale sing C0 C0 ASP LEU 11 12 C N . . +446 covale sing C0 C0 LEU PRO 12 13 C N . . +447 covale sing C0 C0 PRO GLY 13 14 C N . . +448 covale sing C0 C0 GLY GLU 14 15 C N . . +449 covale sing C0 C0 GLU MET 15 16 C N . . +450 covale sing C0 C0 MET LYS 16 17 C N . . +451 covale sing C0 C0 LYS VAL 17 18 C N . . +452 covale sing C0 C0 VAL LEU 18 19 C N . . +453 covale sing C0 C0 LEU VAL 19 20 C N . . +454 covale sing C0 C0 VAL SER 20 21 C N . . +455 covale sing C0 C0 SER LYS 21 22 C N . . +456 covale sing C0 C0 LYS GLU 22 23 C N . . +457 covale sing C0 C0 GLU LYS 23 24 C N . . +458 covale sing C0 C0 LYS ASN 24 25 C N . . +459 covale sing C0 C0 ASN LYS 25 26 C N . . +460 covale sing C0 C0 LYS ASP 26 27 C N . . +461 covale sing C0 C0 ASP GLY 27 28 C N . . +462 covale sing C0 C0 GLY LYS 28 29 C N . . +463 covale sing C0 C0 LYS TYR 29 30 C N . . +464 covale sing C0 C0 TYR ASP 30 31 C N . . +465 covale sing C0 C0 ASP LEU 31 32 C N . . +466 covale sing C0 C0 LEU ILE 32 33 C N . . +467 covale sing C0 C0 ILE ALA 33 34 C N . . +468 covale sing C0 C0 ALA THR 34 35 C N . . +469 covale sing C0 C0 THR VAL 35 36 C N . . +470 covale sing C0 C0 VAL ASP 36 37 C N . . +471 covale sing C0 C0 ASP LYS 37 38 C N . . +472 covale sing C0 C0 LYS LEU 38 39 C N . . +473 covale sing C0 C0 LEU GLU 39 40 C N . . +474 covale sing C0 C0 GLU LEU 40 41 C N . . +475 covale sing C0 C0 LEU LYS 41 42 C N . . +476 covale sing C0 C0 LYS GLY 42 43 C N . . +477 covale sing C0 C0 GLY THR 43 44 C N . . +478 covale sing C0 C0 THR SER 44 45 C N . . +479 covale sing C0 C0 SER ASP 45 46 C N . . +480 covale sing C0 C0 ASP LYS 46 47 C N . . +481 covale sing C0 C0 LYS ASN 47 48 C N . . +482 covale sing C0 C0 ASN ASN 48 49 C N . . +483 covale sing C0 C0 ASN GLY 49 50 C N . . +484 covale sing C0 C0 GLY SER 50 51 C N . . +485 covale sing C0 C0 SER GLY 51 52 C N . . +486 covale sing C0 C0 GLY VAL 52 53 C N . . +487 covale sing C0 C0 VAL LEU 53 54 C N . . +488 covale sing C0 C0 LEU GLU 54 55 C N . . +489 covale sing C0 C0 GLU GLY 55 56 C N . . +490 covale sing C0 C0 GLY VAL 56 57 C N . . +491 covale sing C0 C0 VAL LYS 57 58 C N . . +492 covale sing C0 C0 LYS ALA 58 59 C N . . +493 covale sing C0 C0 ALA ASP 59 60 C N . . +494 covale sing C0 C0 ASP LYS 60 61 C N . . +495 covale sing C0 C0 LYS SER 61 62 C N . . +496 covale sing C0 C0 SER LYS 62 63 C N . . +497 covale sing C0 C0 LYS VAL 63 64 C N . . +498 covale sing C0 C0 VAL LYS 64 65 C N . . +499 covale sing C0 C0 LYS LEU 65 66 C N . . +500 covale sing C0 C0 LEU THR 66 67 C N . . +501 covale sing C0 C0 THR ILE 67 68 C N . . +502 covale sing C0 C0 ILE SER 68 69 C N . . +503 covale sing C0 C0 SER ASP 69 70 C N . . +504 covale sing C0 C0 ASP ASP 70 71 C N . . +505 covale sing C0 C0 ASP LEU 71 72 C N . . +506 covale sing C0 C0 LEU GLY 72 73 C N . . +507 covale sing C0 C0 GLY GLN 73 74 C N . . +508 covale sing C0 C0 GLN THR 74 75 C N . . +509 covale sing C0 C0 THR THR 75 76 C N . . +510 covale sing C0 C0 THR LEU 76 77 C N . . +511 covale sing C0 C0 LEU GLU 77 78 C N . . +512 covale sing C0 C0 GLU VAL 78 79 C N . . +513 covale sing C0 C0 VAL PHE 79 80 C N . . +514 covale sing C0 C0 PHE LYS 80 81 C N . . +515 covale sing C0 C0 LYS GLU 81 82 C N . . +516 covale sing C0 C0 GLU ASP 82 83 C N . . +517 covale sing C0 C0 ASP GLY 83 84 C N . . +518 covale sing C0 C0 GLY LYS 84 85 C N . . +519 covale sing C0 C0 LYS THR 85 86 C N . . +520 covale sing C0 C0 THR LEU 86 87 C N . . +521 covale sing C0 C0 LEU VAL 87 88 C N . . +522 covale sing C0 C0 VAL SER 88 89 C N . . +523 covale sing C0 C0 SER LYS 89 90 C N . . +524 covale sing C0 C0 LYS LYS 90 91 C N . . +525 covale sing C0 C0 LYS VAL 91 92 C N . . +526 covale sing C0 C0 VAL THR 92 93 C N . . +527 covale sing C0 C0 THR SER 93 94 C N . . +528 covale sing C0 C0 SER LYS 94 95 C N . . +529 covale sing C0 C0 LYS ASP 95 96 C N . . +530 covale sing C0 C0 ASP LYS 96 97 C N . . +531 covale sing C0 C0 LYS SER 97 98 C N . . +532 covale sing C0 C0 SER SER 98 99 C N . . +533 covale sing C0 C0 SER THR 99 100 C N . . +534 covale sing C0 C0 THR GLU 100 101 C N . . +535 covale sing C0 C0 GLU GLU 101 102 C N . . +536 covale sing C0 C0 GLU LYS 102 103 C N . . +537 covale sing C0 C0 LYS PHE 103 104 C N . . +538 covale sing C0 C0 PHE ASN 104 105 C N . . +539 covale sing C0 C0 ASN GLU 105 106 C N . . +540 covale sing C0 C0 GLU LYS 106 107 C N . . +541 covale sing C0 C0 LYS GLY 107 108 C N . . +542 covale sing C0 C0 GLY GLU 108 109 C N . . +543 covale sing C0 C0 GLU VAL 109 110 C N . . +544 covale sing C0 C0 VAL SER 110 111 C N . . +545 covale sing C0 C0 SER GLU 111 112 C N . . +546 covale sing C0 C0 GLU LYS 112 113 C N . . +547 covale sing C0 C0 LYS ILE 113 114 C N . . +548 covale sing C0 C0 ILE ILE 114 115 C N . . +549 covale sing C0 C0 ILE THR 115 116 C N . . +550 covale sing C0 C0 THR ARG 116 117 C N . . +551 covale sing C0 C0 ARG ALA 117 118 C N . . +552 covale sing C0 C0 ALA ASP 118 119 C N . . +553 covale sing C0 C0 ASP GLY 119 120 C N . . +554 covale sing C0 C0 GLY THR 120 121 C N . . +555 covale sing C0 C0 THR ARG 121 122 C N . . +556 covale sing C0 C0 ARG LEU 122 123 C N . . +557 covale sing C0 C0 LEU GLU 123 124 C N . . +558 covale sing C0 C0 GLU TYR 124 125 C N . . +559 covale sing C0 C0 TYR THR 125 126 C N . . +560 covale sing C0 C0 THR GLY 126 127 C N . . +561 covale sing C0 C0 GLY ILE 127 128 C N . . +562 covale sing C0 C0 ILE LYS 128 129 C N . . +563 covale sing C0 C0 LYS SER 129 130 C N . . +564 covale sing C0 C0 SER ASP 130 131 C N . . +565 covale sing C0 C0 ASP GLY 131 132 C N . . +566 covale sing C0 C0 GLY SER 132 133 C N . . +567 covale sing C0 C0 SER GLY 133 134 C N . . +568 covale sing C0 C0 GLY LYS 134 135 C N . . +569 covale sing C0 C0 LYS ALA 135 136 C N . . +570 covale sing C0 C0 ALA LYS 136 137 C N . . +571 covale sing C0 C0 LYS GLU 137 138 C N . . +572 covale sing C0 C0 GLU VAL 138 139 C N . . +573 covale sing C0 C0 VAL LEU 139 140 C N . . +574 covale sing C0 C0 LEU LYS 140 141 C N . . +575 covale sing C0 C0 LYS GLY 141 142 C N . . +576 covale sing C0 C0 GLY TYR 142 143 C N . . +577 covale sing C0 C0 TYR VAL 143 144 C N . . +578 covale sing C0 C0 VAL LEU 144 145 C N . . +579 covale sing C0 C0 LEU GLU 145 146 C N . . +580 covale sing C0 C0 GLU GLY 146 147 C N . . +581 covale sing C0 C0 GLY THR 147 148 C N . . +582 covale sing C0 C0 THR LEU 148 149 C N . . +583 covale sing C0 C0 LEU THR 149 150 C N . . +584 covale sing C0 C0 THR ALA 150 151 C N . . +585 covale sing C0 C0 ALA GLU 151 152 C N . . +586 covale sing C0 C0 GLU LYS 152 153 C N . . +587 covale sing C0 C0 LYS THR 153 154 C N . . +588 covale sing C0 C0 THR THR 154 155 C N . . +589 covale sing C0 C0 THR LEU 155 156 C N . . +590 covale sing C0 C0 LEU VAL 156 157 C N . . +591 covale sing C0 C0 VAL VAL 157 158 C N . . +592 covale sing C0 C0 VAL LYS 158 159 C N . . +593 covale sing C0 C0 LYS GLU 159 160 C N . . +594 covale sing C0 C0 GLU GLY 160 161 C N . . +595 covale sing C0 C0 GLY THR 161 162 C N . . +596 covale sing C0 C0 THR VAL 162 163 C N . . +597 covale sing C0 C0 VAL THR 163 164 C N . . +598 covale sing C0 C0 THR LEU 164 165 C N . . +599 covale sing C0 C0 LEU SER 165 166 C N . . +600 covale sing C0 C0 SER LYS 166 167 C N . . +601 covale sing C0 C0 LYS ASN 167 168 C N . . +602 covale sing C0 C0 ASN ILE 168 169 C N . . +603 covale sing C0 C0 ILE SER 169 170 C N . . +604 covale sing C0 C0 SER LYS 170 171 C N . . +605 covale sing C0 C0 LYS SER 171 172 C N . . +606 covale sing C0 C0 SER GLY 172 173 C N . . +607 covale sing C0 C0 GLY GLU 173 174 C N . . +608 covale sing C0 C0 GLU VAL 174 175 C N . . +609 covale sing C0 C0 VAL SER 175 176 C N . . +610 covale sing C0 C0 SER VAL 176 177 C N . . +611 covale sing C0 C0 VAL GLU 177 178 C N . . +612 covale sing C0 C0 GLU LEU 178 179 C N . . +613 covale sing C0 C0 LEU ASN 179 180 C N . . +614 covale sing C0 C0 ASN ASP 180 181 C N . . +615 covale sing C0 C0 ASP THR 181 182 C N . . +616 covale sing C0 C0 THR ASP 182 183 C N . . +617 covale sing C0 C0 ASP SER 183 184 C N . . +618 covale sing C0 C0 SER SER 184 185 C N . . +619 covale sing C0 C0 SER ALA 185 186 C N . . +620 covale sing C0 C0 ALA ALA 186 187 C N . . +621 covale sing C0 C0 ALA THR 187 188 C N . . +622 covale sing C0 C0 THR LYS 188 189 C N . . +623 covale sing C0 C0 LYS LYS 189 190 C N . . +624 covale sing C0 C0 LYS THR 190 191 C N . . +625 covale sing C0 C0 THR ALA 191 192 C N . . +626 covale sing C0 C0 ALA ALA 192 193 C N . . +627 covale sing C0 C0 ALA TRP 193 194 C N . . +628 covale sing C0 C0 TRP ASN 194 195 C N . . +629 covale sing C0 C0 ASN SER 195 196 C N . . +630 covale sing C0 C0 SER GLY 196 197 C N . . +631 covale sing C0 C0 GLY THR 197 198 C N . . +632 covale sing C0 C0 THR SER 198 199 C N . . +633 covale sing C0 C0 SER THR 199 200 C N . . +634 covale sing C0 C0 THR LEU 200 201 C N . . +635 covale sing C0 C0 LEU THR 201 202 C N . . +636 covale sing C0 C0 THR ILE 202 203 C N . . +637 covale sing C0 C0 ILE THR 203 204 C N . . +638 covale sing C0 C0 THR VAL 204 205 C N . . +639 covale sing C0 C0 VAL ASN 205 206 C N . . +640 covale sing C0 C0 ASN SER 206 207 C N . . +641 covale sing C0 C0 SER LYS 207 208 C N . . +642 covale sing C0 C0 LYS LYS 208 209 C N . . +643 covale sing C0 C0 LYS THR 209 210 C N . . +644 covale sing C0 C0 THR LYS 210 211 C N . . +645 covale sing C0 C0 LYS ASP 211 212 C N . . +646 covale sing C0 C0 ASP LEU 212 213 C N . . +647 covale sing C0 C0 LEU VAL 213 214 C N . . +648 covale sing C0 C0 VAL PHE 214 215 C N . . +649 covale sing C0 C0 PHE THR 215 216 C N . . +650 covale sing C0 C0 THR LYS 216 217 C N . . +651 covale sing C0 C0 LYS GLU 217 218 C N . . +652 covale sing C0 C0 GLU ASN 218 219 C N . . +653 covale sing C0 C0 ASN THR 219 220 C N . . +654 covale sing C0 C0 THR ILE 220 221 C N . . +655 covale sing C0 C0 ILE THR 221 222 C N . . +656 covale sing C0 C0 THR VAL 222 223 C N . . +657 covale sing C0 C0 VAL GLN 223 224 C N . . +658 covale sing C0 C0 GLN GLN 224 225 C N . . +659 covale sing C0 C0 GLN TYR 225 226 C N . . +660 covale sing C0 C0 TYR ASP 226 227 C N . . +661 covale sing C0 C0 ASP SER 227 228 C N . . +662 covale sing C0 C0 SER ASN 228 229 C N . . +663 covale sing C0 C0 ASN GLY 229 230 C N . . +664 covale sing C0 C0 GLY THR 230 231 C N . . +665 covale sing C0 C0 THR LYS 231 232 C N . . +666 covale sing C0 C0 LYS LEU 232 233 C N . . +667 covale sing C0 C0 LEU GLU 233 234 C N . . +668 covale sing C0 C0 GLU GLY 234 235 C N . . +669 covale sing C0 C0 GLY SER 235 236 C N . . +670 covale sing C0 C0 SER ALA 236 237 C N . . +671 covale sing C0 C0 ALA VAL 237 238 C N . . +672 covale sing C0 C0 VAL GLU 238 239 C N . . +673 covale sing C0 C0 GLU ILE 239 240 C N . . +674 covale sing C0 C0 ILE THR 240 241 C N . . +675 covale sing C0 C0 THR LYS 241 242 C N . . +676 covale sing C0 C0 LYS LEU 242 243 C N . . +677 covale sing C0 C0 LEU ASP 243 244 C N . . +678 covale sing C0 C0 ASP GLU 244 245 C N . . +679 covale sing C0 C0 GLU ILE 245 246 C N . . +680 covale sing C0 C0 ILE LYS 246 247 C N . . +681 covale sing C0 C0 LYS ASN 247 248 C N . . +682 covale sing C0 C0 ASN ALA 248 249 C N . . +683 covale sing C0 C0 ALA LEU 249 250 C N . . +684 covale sing C0 C0 LEU LYS 250 251 C N . . +# +loop_ +_atom_site.group_PDB +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.pdbx_PDB_model_num +_atom_site.id +_atom_site.occupancy +ATOM N N . GLU A0 1 1 . 1 GLU A0 N 0 22.076424 2.477869 -11.406746 1 1 1 +ATOM C CA . GLU A0 1 1 . 1 GLU A0 CA 0 20.959793 3.0765767 -10.700387 1 2 1 +ATOM C C . GLU A0 1 1 . 1 GLU A0 C 0 19.651066 2.4504395 -11.152411 1 3 1 +ATOM O O . GLU A0 1 1 . 1 GLU A0 O 0 19.42307 2.2736278 -12.360271 1 4 1 +ATOM C CB . GLU A0 1 1 . 1 GLU A0 CB 0 20.937782 4.587159 -10.927465 1 5 1 +ATOM C CG . GLU A0 1 1 . 1 GLU A0 CG 0 19.844212 5.299778 -10.152704 1 6 1 +ATOM C CD . GLU A0 1 1 . 1 GLU A0 CD 0 19.901531 6.7924066 -10.334493 1 7 1 +ATOM O OE1 . GLU A0 1 1 . 1 GLU A0 OE1 0 20.437792 7.244822 -11.369162 1 8 1 +ATOM O OE2 . GLU A0 1 1 . 1 GLU A0 OE2 0 19.409935 7.529441 -9.449523 1 9 1 +ATOM N N . VAL A0 1 2 . 2 VAL A0 N 0 18.792336 2.113772 -10.214605 1 10 1 +ATOM C CA . VAL A0 1 2 . 2 VAL A0 CA 0 17.50668 1.4946152 -10.519622 1 11 1 +ATOM C C . VAL A0 1 2 . 2 VAL A0 C 0 16.61318 2.4743073 -11.279752 1 12 1 +ATOM O O . VAL A0 1 2 . 2 VAL A0 O 0 16.446384 3.624626 -10.865776 1 13 1 +ATOM C CB . VAL A0 1 2 . 2 VAL A0 CB 0 16.797062 1.0292985 -9.229961 1 14 1 +ATOM C CG1 . VAL A0 1 2 . 2 VAL A0 CG1 0 15.411378 0.48185652 -9.554594 1 15 1 +ATOM C CG2 . VAL A0 1 2 . 2 VAL A0 CG2 0 17.636467 -0.005363402 -8.501289 1 16 1 +ATOM N N . GLN A0 1 3 . 3 GLN A0 N 0 16.037098 2.0140462 -12.38789 1 17 1 +ATOM C CA . GLN A0 1 3 . 3 GLN A0 CA 0 15.120935 2.822261 -13.183411 1 18 1 +ATOM C C . GLN A0 1 3 . 3 GLN A0 C 0 13.987061 1.9610112 -13.718601 1 19 1 +ATOM O O . GLN A0 1 3 . 3 GLN A0 O 0 14.200997 0.7937323 -14.076152 1 20 1 +ATOM C CB . GLN A0 1 3 . 3 GLN A0 CB 0 15.839029 3.487158 -14.362144 1 21 1 +ATOM C CG . GLN A0 1 3 . 3 GLN A0 CG 0 16.840813 4.559006 -13.958855 1 22 1 +ATOM C CD . GLN A0 1 3 . 3 GLN A0 CD 0 17.427002 5.2748837 -15.162564 1 23 1 +ATOM O OE1 . GLN A0 1 3 . 3 GLN A0 OE1 0 17.36257 4.784553 -16.282145 1 24 1 +ATOM N NE2 . GLN A0 1 3 . 3 GLN A0 NE2 0 18.004116 6.452715 -14.933467 1 25 1 +ATOM N N . LEU A0 1 4 . 4 LEU A0 N 0 12.795893 2.5306902 -13.769766 1 26 1 +ATOM C CA . LEU A0 1 4 . 4 LEU A0 CA 0 11.639296 1.9072132 -14.394321 1 27 1 +ATOM C C . LEU A0 1 4 . 4 LEU A0 C 0 11.095913 2.9149075 -15.398596 1 28 1 +ATOM O O . LEU A0 1 4 . 4 LEU A0 O 0 10.648945 3.9948297 -15.014011 1 29 1 +ATOM C CB . LEU A0 1 4 . 4 LEU A0 CB 0 10.565808 1.552572 -13.355902 1 30 1 +ATOM C CG . LEU A0 1 4 . 4 LEU A0 CG 0 10.91857 0.45309427 -12.347157 1 31 1 +ATOM C CD1 . LEU A0 1 4 . 4 LEU A0 CD1 0 9.842305 0.3595742 -11.274335 1 32 1 +ATOM C CD2 . LEU A0 1 4 . 4 LEU A0 CD2 0 11.091291 -0.8795172 -13.04936 1 33 1 +ATOM N N . VAL A0 1 5 . 5 VAL A0 N 0 11.175927 2.5810091 -16.691433 1 34 1 +ATOM C CA . VAL A0 1 5 . 5 VAL A0 CA 0 10.75757 3.4929986 -17.757277 1 35 1 +ATOM C C . VAL A0 1 5 . 5 VAL A0 C 0 9.524903 2.9298496 -18.453299 1 36 1 +ATOM O O . VAL A0 1 5 . 5 VAL A0 O 0 9.559714 1.8221219 -19.000278 1 37 1 +ATOM C CB . VAL A0 1 5 . 5 VAL A0 CB 0 11.888861 3.7160165 -18.781483 1 38 1 +ATOM C CG1 . VAL A0 1 5 . 5 VAL A0 CG1 0 11.423644 4.653044 -19.890497 1 39 1 +ATOM C CG2 . VAL A0 1 5 . 5 VAL A0 CG2 0 13.129389 4.2787085 -18.085564 1 40 1 +ATOM N N . GLN A0 1 6 . 6 GLN A0 N 0 8.434569 3.697326 -18.423935 1 41 1 +ATOM C CA . GLN A0 1 6 . 6 GLN A0 CA 0 7.175733 3.2491918 -18.998621 1 42 1 +ATOM C C . GLN A0 1 6 . 6 GLN A0 C 0 6.9794416 3.7609982 -20.423702 1 43 1 +ATOM O O . GLN A0 1 6 . 6 GLN A0 O 0 7.6350856 4.7217226 -20.846573 1 44 1 +ATOM C CB . GLN A0 1 6 . 6 GLN A0 CB 0 6.0010085 3.6897092 -18.115513 1 45 1 +ATOM C CG . GLN A0 1 6 . 6 GLN A0 CG 0 6.0593863 3.100205 -16.72 1 46 1 +ATOM C CD . GLN A0 1 6 . 6 GLN A0 CD 0 4.890003 3.4795737 -15.846939 1 47 1 +ATOM O OE1 . GLN A0 1 6 . 6 GLN A0 OE1 0 5.0612817 3.9076712 -14.707728 1 48 1 +ATOM N NE2 . GLN A0 1 6 . 6 GLN A0 NE2 0 3.6762896 3.333414 -16.361685 1 49 1 +ATOM N N . SER A0 1 7 . 7 SER A0 N 0 6.0700626 3.1106186 -21.156105 1 50 1 +ATOM C CA . SER A0 1 7 . 7 SER A0 CA 0 5.755477 3.5067406 -22.52514 1 51 1 +ATOM C C . SER A0 1 7 . 7 SER A0 C 0 4.9852743 4.827646 -22.528564 1 52 1 +ATOM O O . SER A0 1 7 . 7 SER A0 O 0 4.521103 5.300639 -21.49025 1 53 1 +ATOM C CB . SER A0 1 7 . 7 SER A0 CB 0 4.9381847 2.4076867 -23.219017 1 54 1 +ATOM O OG . SER A0 1 7 . 7 SER A0 OG 0 3.814715 2.038518 -22.446575 1 55 1 +ATOM N N . GLY A0 1 8 . 8 GLY A0 N 0 4.841481 5.427039 -23.708145 1 56 1 +ATOM C CA . GLY A0 1 8 . 8 GLY A0 CA 0 4.2312536 6.7354984 -23.846535 1 57 1 +ATOM C C . GLY A0 1 8 . 8 GLY A0 C 0 2.7211385 6.7600565 -23.716572 1 58 1 +ATOM O O . GLY A0 1 8 . 8 GLY A0 O 0 2.058439 5.7209206 -23.6243 1 59 1 +ATOM N N . GLU A0 1 9 . 9 GLU A0 N 0 2.1832929 7.9760647 -23.719044 1 60 1 +ATOM C CA . GLU A0 1 9 . 9 GLU A0 CA 0 0.7521578 8.216348 -23.600006 1 61 1 +ATOM C C . GLU A0 1 9 . 9 GLU A0 C 0 -0.026230987 7.4887676 -24.691051 1 62 1 +ATOM O O . GLU A0 1 9 . 9 GLU A0 O 0 0.40564358 7.4188156 -25.83945 1 63 1 +ATOM C CB . GLU A0 1 9 . 9 GLU A0 CB 0 0.4782334 9.723122 -23.670752 1 64 1 +ATOM C CG . GLU A0 1 9 . 9 GLU A0 CG 0 -0.99040866 10.093224 -23.56668 1 65 1 +ATOM C CD . GLU A0 1 9 . 9 GLU A0 CD 0 -1.2158492 11.596968 -23.668327 1 66 1 +ATOM O OE1 . GLU A0 1 9 . 9 GLU A0 OE1 0 -2.3616977 12.044125 -23.436981 1 67 1 +ATOM O OE2 . GLU A0 1 9 . 9 GLU A0 OE2 0 -0.25644553 12.333115 -23.968296 1 68 1 +ATOM N N . GLU A0 1 10 . 10 GLU A0 N 0 -1.2072545 6.9375753 -24.311901 1 69 1 +ATOM C CA . GLU A0 1 10 . 10 GLU A0 CA 0 -2.0522292 6.202265 -25.242897 1 70 1 +ATOM C C . GLU A0 1 10 . 10 GLU A0 C 0 -3.4359713 6.828231 -25.304192 1 71 1 +ATOM O O . GLU A0 1 10 . 10 GLU A0 O 0 -4.0220814 7.1516037 -24.271198 1 72 1 +ATOM C CB . GLU A0 1 10 . 10 GLU A0 CB 0 -2.181667 4.729137 -24.820969 1 73 1 +ATOM C CG . GLU A0 1 10 . 10 GLU A0 CG 0 -0.864531 3.957277 -24.785482 1 74 1 +ATOM C CD . GLU A0 1 10 . 10 GLU A0 CD 0 -0.39837235 3.4972763 -26.15199 1 75 1 +ATOM O OE1 . GLU A0 1 10 . 10 GLU A0 OE1 0 0.73042756 2.969964 -26.236694 1 76 1 +ATOM O OE2 . GLU A0 1 10 . 10 GLU A0 OE2 0 -1.1539545 3.6537604 -27.14473 1 77 1 +ATOM N N . VAL A0 1 11 . 11 VAL A0 N 0 -3.9647198 7.003495 -26.523218 1 78 1 +ATOM C CA . VAL A0 1 11 . 11 VAL A0 CA 0 -5.3208165 7.4964046 -26.746275 1 79 1 +ATOM C C . VAL A0 1 11 . 11 VAL A0 C 0 -6.025433 6.4556723 -27.603958 1 80 1 +ATOM O O . VAL A0 1 11 . 11 VAL A0 O 0 -5.679755 6.2621365 -28.771292 1 81 1 +ATOM C CB . VAL A0 1 11 . 11 VAL A0 CB 0 -5.3301725 8.870724 -27.447027 1 82 1 +ATOM C CG1 . VAL A0 1 11 . 11 VAL A0 CG1 0 -6.76535 9.361006 -27.63565 1 83 1 +ATOM C CG2 . VAL A0 1 11 . 11 VAL A0 CG2 0 -4.525255 9.887505 -26.629913 1 84 1 +ATOM N N . LYS A0 1 12 . 12 LYS A0 N 0 -7.0204844 5.777398 -27.018135 1 85 1 +ATOM C CA . LYS A0 1 12 . 12 LYS A0 CA 0 -7.700446 4.6656 -27.689804 1 86 1 +ATOM C C . LYS A0 1 12 . 12 LYS A0 C 0 -9.212421 4.8016043 -27.629791 1 87 1 +ATOM O O . LYS A0 1 12 . 12 LYS A0 O 0 -9.756329 5.60684 -26.857502 1 88 1 +ATOM C CB . LYS A0 1 12 . 12 LYS A0 CB 0 -7.2979717 3.322432 -27.063034 1 89 1 +ATOM C CG . LYS A0 1 12 . 12 LYS A0 CG 0 -5.798197 3.105878 -26.892769 1 90 1 +ATOM C CD . LYS A0 1 12 . 12 LYS A0 CD 0 -5.117223 2.865415 -28.225365 1 91 1 +ATOM C CE . LYS A0 1 12 . 12 LYS A0 CE 0 -5.4006677 1.4789822 -28.762253 1 92 1 +ATOM N NZ . LYS A0 1 12 . 12 LYS A0 NZ 0 -4.5877748 1.1836907 -29.947647 1 93 1 +ATOM N N . LYS A0 1 13 . 13 LYS A0 N 0 -9.914038 3.993101 -28.438295 1 94 1 +ATOM C CA . LYS A0 1 13 . 13 LYS A0 CA 0 -11.368187 3.9763288 -28.457237 1 95 1 +ATOM C C . LYS A0 1 13 . 13 LYS A0 C 0 -11.879591 2.8008838 -27.630924 1 96 1 +ATOM O O . LYS A0 1 13 . 13 LYS A0 O 0 -11.183449 1.7860682 -27.493412 1 97 1 +ATOM C CB . LYS A0 1 13 . 13 LYS A0 CB 0 -11.890083 3.8450575 -29.894245 1 98 1 +ATOM C CG . LYS A0 1 13 . 13 LYS A0 CG 0 -11.585289 5.043658 -30.77811 1 99 1 +ATOM C CD . LYS A0 1 13 . 13 LYS A0 CD 0 -12.169699 4.850928 -32.16565 1 100 1 +ATOM C CE . LYS A0 1 13 . 13 LYS A0 CE 0 -11.871696 6.047242 -33.058098 1 101 1 +ATOM N NZ . LYS A0 1 13 . 13 LYS A0 NZ 0 -12.549295 7.2843823 -32.595238 1 102 1 +ATOM N N . PRO A0 1 14 . 14 PRO A0 N 0 -13.109795 2.9027233 -27.075974 1 103 1 +ATOM C CA . PRO A0 1 14 . 14 PRO A0 CA 0 -13.673641 1.7804644 -26.31938 1 104 1 +ATOM C C . PRO A0 1 14 . 14 PRO A0 C 0 -13.755466 0.5342691 -27.19597 1 105 1 +ATOM O O . PRO A0 1 14 . 14 PRO A0 O 0 -14.039522 0.6214503 -28.391296 1 106 1 +ATOM C CB . PRO A0 1 14 . 14 PRO A0 CB 0 -15.071648 2.2737312 -25.925575 1 107 1 +ATOM C CG . PRO A0 1 14 . 14 PRO A0 CG 0 -14.952277 3.7685046 -25.916042 1 108 1 +ATOM C CD . PRO A0 1 14 . 14 PRO A0 CD 0 -14.006487 4.0745344 -27.050184 1 109 1 +ATOM N N . GLY A0 1 15 . 15 GLY A0 N 0 -13.491783 -0.6215013 -26.59227 1 110 1 +ATOM C CA . GLY A0 1 15 . 15 GLY A0 CA 0 -13.529023 -1.8790152 -27.315025 1 111 1 +ATOM C C . GLY A0 1 15 . 15 GLY A0 C 0 -12.202955 -2.2880352 -27.926413 1 112 1 +ATOM O O . GLY A0 1 15 . 15 GLY A0 O 0 -12.030944 -3.4544458 -28.309572 1 113 1 +ATOM N N . GLU A0 1 16 . 16 GLU A0 N 0 -11.264669 -1.3465323 -28.012873 1 114 1 +ATOM C CA . GLU A0 1 16 . 16 GLU A0 CA 0 -9.953798 -1.6611547 -28.572313 1 115 1 +ATOM C C . GLU A0 1 16 . 16 GLU A0 C 0 -9.062885 -2.3116703 -27.523949 1 116 1 +ATOM O O . GLU A0 1 16 . 16 GLU A0 O 0 -9.309542 -2.192018 -26.320404 1 117 1 +ATOM C CB . GLU A0 1 16 . 16 GLU A0 CB 0 -9.277708 -0.39627954 -29.118467 1 118 1 +ATOM C CG . GLU A0 1 16 . 16 GLU A0 CG 0 -9.999796 0.20209324 -30.313759 1 119 1 +ATOM C CD . GLU A0 1 16 . 16 GLU A0 CD 0 -9.226849 1.3399221 -30.942604 1 120 1 +ATOM O OE1 . GLU A0 1 16 . 16 GLU A0 OE1 0 -9.334648 1.5209454 -32.170925 1 121 1 +ATOM O OE2 . GLU A0 1 16 . 16 GLU A0 OE2 0 -8.50593 2.0568447 -30.218313 1 122 1 +ATOM N N . SER A0 1 17 . 17 SER A0 N 0 -8.047262 -3.0083218 -27.9799 1 123 1 +ATOM C CA . SER A0 1 17 . 17 SER A0 CA 0 -7.0830855 -3.627233 -27.082521 1 124 1 +ATOM C C . SER A0 1 17 . 17 SER A0 C 0 -5.8803043 -2.7026372 -26.910553 1 125 1 +ATOM O O . SER A0 1 17 . 17 SER A0 O 0 -5.614061 -1.8404264 -27.745436 1 126 1 +ATOM C CB . SER A0 1 17 . 17 SER A0 CB 0 -6.6272373 -4.9817066 -27.630646 1 127 1 +ATOM O OG . SER A0 1 17 . 17 SER A0 OG 0 -5.9319105 -4.8206644 -28.854479 1 128 1 +ATOM N N . LEU A0 1 18 . 18 LEU A0 N 0 -5.1858163 -2.8785229 -25.782047 1 129 1 +ATOM C CA . LEU A0 1 18 . 18 LEU A0 CA 0 -4.0235953 -2.048875 -25.498806 1 130 1 +ATOM C C . LEU A0 1 18 . 18 LEU A0 C 0 -3.065998 -2.7845478 -24.579762 1 131 1 +ATOM O O . LEU A0 1 18 . 18 LEU A0 O 0 -3.5042543 -3.474351 -23.652811 1 132 1 +ATOM C CB . LEU A0 1 18 . 18 LEU A0 CB 0 -4.448074 -0.7179874 -24.848995 1 133 1 +ATOM C CG . LEU A0 1 18 . 18 LEU A0 CG 0 -3.3187404 0.20478198 -24.377926 1 134 1 +ATOM C CD1 . LEU A0 1 18 . 18 LEU A0 CD1 0 -3.8698435 1.3716419 -23.565214 1 135 1 +ATOM C CD2 . LEU A0 1 18 . 18 LEU A0 CD2 0 -2.5074606 0.7139328 -25.56792 1 136 1 +ATOM N N . LYS A0 1 19 . 19 LYS A0 N 0 -1.7776897 -2.635232 -24.83014 1 137 1 +ATOM C CA . LYS A0 1 19 . 19 LYS A0 CA 0 -0.75456107 -3.1811543 -23.955788 1 138 1 +ATOM C C . LYS A0 1 19 . 19 LYS A0 C 0 0.29743835 -2.1042218 -23.723194 1 139 1 +ATOM O O . LYS A0 1 19 . 19 LYS A0 O 0 0.9239352 -1.6192769 -24.67281 1 140 1 +ATOM C CB . LYS A0 1 19 . 19 LYS A0 CB 0 -0.10565454 -4.430641 -24.561817 1 141 1 +ATOM C CG . LYS A0 1 19 . 19 LYS A0 CG 0 0.8985629 -5.0976353 -23.62598 1 142 1 +ATOM C CD . LYS A0 1 19 . 19 LYS A0 CD 0 1.317654 -6.471134 -24.133106 1 143 1 +ATOM C CE . LYS A0 1 19 . 19 LYS A0 CE 0 2.1819396 -6.397397 -25.38419 1 144 1 +ATOM N NZ . LYS A0 1 19 . 19 LYS A0 NZ 0 2.6493645 -7.745223 -25.79543 1 145 1 +ATOM N N . ILE A0 1 20 . 20 ILE A0 N 0 0.47512975 -1.7061896 -22.455067 1 146 1 +ATOM C CA . ILE A0 1 20 . 20 ILE A0 CA 0 1.4902707 -0.7232661 -22.106562 1 147 1 +ATOM C C . ILE A0 1 20 . 20 ILE A0 C 0 2.6410172 -1.4420352 -21.42358 1 148 1 +ATOM O O . ILE A0 1 20 . 20 ILE A0 O 0 2.4825363 -2.544265 -20.889809 1 149 1 +ATOM C CB . ILE A0 1 20 . 20 ILE A0 CB 0 0.92355484 0.41093937 -21.216436 1 150 1 +ATOM C CG1 . ILE A0 1 20 . 20 ILE A0 CG1 0 0.38134453 -0.1416807 -19.912016 1 151 1 +ATOM C CG2 . ILE A0 1 20 . 20 ILE A0 CG2 0 -0.1857557 1.1581423 -21.978325 1 152 1 +ATOM C CD1 . ILE A0 1 20 . 20 ILE A0 CD1 0 -0.108830184 0.93059814 -18.943468 1 153 1 +ATOM N N . SER A0 1 21 . 21 SER A0 N 0 3.8273742 -0.8147622 -21.443024 1 154 1 +ATOM C CA . SER A0 1 21 . 21 SER A0 CA 0 5.031649 -1.482676 -20.964378 1 155 1 +ATOM C C . SER A0 1 21 . 21 SER A0 C 0 5.787964 -0.71195924 -19.885103 1 156 1 +ATOM O O . SER A0 1 21 . 21 SER A0 O 0 5.5738564 0.4805423 -19.683485 1 157 1 +ATOM C CB . SER A0 1 21 . 21 SER A0 CB 0 5.976848 -1.7621462 -22.139 1 158 1 +ATOM O OG . SER A0 1 21 . 21 SER A0 OG 0 6.4773884 -0.5585822 -22.6885 1 159 1 +ATOM N N . CYS A0 1 22 . 22 CYS A0 N 0 6.657296 -1.4320066 -19.19912 1 160 1 +ATOM C CA . CYS A0 1 22 . 22 CYS A0 CA 0 7.5060377 -0.8959263 -18.146807 1 161 1 +ATOM C C . CYS A0 1 22 . 22 CYS A0 C 0 8.826477 -1.6589093 -18.1948 1 162 1 +ATOM O O . CYS A0 1 22 . 22 CYS A0 O 0 8.85515 -2.8694534 -17.963428 1 163 1 +ATOM C CB . CYS A0 1 22 . 22 CYS A0 CB 0 6.8332114 -1.0645475 -16.790257 1 164 1 +ATOM S SG . CYS A0 1 22 . 22 CYS A0 SG 0 7.850572 -0.66302013 -15.3640175 1 165 1 +ATOM N N . LYS A0 1 23 . 23 LYS A0 N 0 9.915279 -0.9710296 -18.532782 1 166 1 +ATOM C CA . LYS A0 1 23 . 23 LYS A0 CA 0 11.228943 -1.5985391 -18.647203 1 167 1 +ATOM C C . LYS A0 1 23 . 23 LYS A0 C 0 12.095231 -1.2504718 -17.442623 1 168 1 +ATOM O O . LYS A0 1 23 . 23 LYS A0 O 0 12.25369 -0.077334166 -17.101845 1 169 1 +ATOM C CB . LYS A0 1 23 . 23 LYS A0 CB 0 11.935139 -1.1701517 -19.937458 1 170 1 +ATOM C CG . LYS A0 1 23 . 23 LYS A0 CG 0 13.275121 -1.862359 -20.132915 1 171 1 +ATOM C CD . LYS A0 1 23 . 23 LYS A0 CD 0 13.869349 -1.5556107 -21.50232 1 172 1 +ATOM C CE . LYS A0 1 23 . 23 LYS A0 CE 0 15.176245 -2.3021078 -21.706034 1 173 1 +ATOM N NZ . LYS A0 1 23 . 23 LYS A0 NZ 0 15.725371 -2.0842073 -23.04698 1 174 1 +ATOM N N . GLY A0 1 24 . 24 GLY A0 N 0 12.6486 -2.28281 -16.798191 1 175 1 +ATOM C CA . GLY A0 1 24 . 24 GLY A0 CA 0 13.503685 -2.086092 -15.642064 1 176 1 +ATOM C C . GLY A0 1 24 . 24 GLY A0 C 0 14.972734 -2.1692362 -15.99246 1 177 1 +ATOM O O . GLY A0 1 24 . 24 GLY A0 O 0 15.367905 -2.9028141 -16.897247 1 178 1 +ATOM N N . SER A0 1 25 . 25 SER A0 N 0 15.795675 -1.4190267 -15.281013 1 179 1 +ATOM C CA . SER A0 1 25 . 25 SER A0 CA 0 17.241055 -1.4483832 -15.470596 1 180 1 +ATOM C C . SER A0 1 25 . 25 SER A0 C 0 17.936357 -1.0524389 -14.1698065 1 181 1 +ATOM O O . SER A0 1 25 . 25 SER A0 O 0 17.31707 -0.4675937 -13.274828 1 182 1 +ATOM C CB . SER A0 1 25 . 25 SER A0 CB 0 17.664373 -0.50690883 -16.61066 1 183 1 +ATOM O OG . SER A0 1 25 . 25 SER A0 OG 0 17.348373 0.83821976 -16.315308 1 184 1 +ATOM N N . GLY A0 1 26 . 26 GLY A0 N 0 19.236092 -1.391432 -14.063266 1 185 1 +ATOM C CA . GLY A0 1 26 . 26 GLY A0 CA 0 20.010078 -1.0154359 -12.904291 1 186 1 +ATOM C C . GLY A0 1 26 . 26 GLY A0 C 0 19.91941 -1.977112 -11.732245 1 187 1 +ATOM O O . GLY A0 1 26 . 26 GLY A0 O 0 20.436565 -1.6762762 -10.653502 1 188 1 +ATOM N N . TYR A0 1 27 . 27 TYR A0 N 0 19.26743 -3.1433454 -11.92519 1 189 1 +ATOM C CA . TYR A0 1 27 . 27 TYR A0 CA 0 19.153643 -4.1629205 -10.888535 1 190 1 +ATOM C C . TYR A0 1 27 . 27 TYR A0 C 0 18.846058 -5.491948 -11.555779 1 191 1 +ATOM O O . TYR A0 1 27 . 27 TYR A0 O 0 18.572424 -5.5378933 -12.767457 1 192 1 +ATOM C CB . TYR A0 1 27 . 27 TYR A0 CB 0 18.057571 -3.7902808 -9.8756275 1 193 1 +ATOM C CG . TYR A0 1 27 . 27 TYR A0 CG 0 16.653358 -3.8594344 -10.436337 1 194 1 +ATOM C CD1 . TYR A0 1 27 . 27 TYR A0 CD1 0 16.147728 -2.8298323 -11.215256 1 195 1 +ATOM C CD2 . TYR A0 1 27 . 27 TYR A0 CD2 0 15.853788 -4.965496 -10.194057 1 196 1 +ATOM C CE1 . TYR A0 1 27 . 27 TYR A0 CE1 0 14.863889 -2.892063 -11.740319 1 197 1 +ATOM C CE2 . TYR A0 1 27 . 27 TYR A0 CE2 0 14.571568 -5.0421104 -10.706725 1 198 1 +ATOM C CZ . TYR A0 1 27 . 27 TYR A0 CZ 0 14.082689 -4.0043945 -11.482791 1 199 1 +ATOM O OH . TYR A0 1 27 . 27 TYR A0 OH 0 12.807563 -4.078285 -11.998357 1 200 1 +ATOM N N . LYS A0 1 28 . 28 LYS A0 N 0 18.90229 -6.6016455 -10.808886 1 201 1 +ATOM C CA . LYS A0 1 28 . 28 LYS A0 CA 0 18.594603 -7.9127684 -11.357301 1 202 1 +ATOM C C . LYS A0 1 28 . 28 LYS A0 C 0 17.08635 -8.029515 -11.550475 1 203 1 +ATOM O O . LYS A0 1 28 . 28 LYS A0 O 0 16.344398 -8.349905 -10.614351 1 204 1 +ATOM C CB . LYS A0 1 28 . 28 LYS A0 CB 0 19.1167 -9.019619 -10.439968 1 205 1 +ATOM C CG . LYS A0 1 28 . 28 LYS A0 CG 0 19.036385 -10.399515 -11.062216 1 206 1 +ATOM C CD . LYS A0 1 28 . 28 LYS A0 CD 0 19.690298 -11.451105 -10.163508 1 207 1 +ATOM C CE . LYS A0 1 28 . 28 LYS A0 CE 0 19.611046 -12.8316965 -10.795584 1 208 1 +ATOM N NZ . LYS A0 1 28 . 28 LYS A0 NZ 0 20.243073 -13.845787 -9.941075 1 209 1 +ATOM N N . PHE A0 1 29 . 29 PHE A0 N 0 16.621931 -7.7501945 -12.772715 1 210 1 +ATOM C CA . PHE A0 1 29 . 29 PHE A0 CA 0 15.209253 -7.649226 -13.120867 1 211 1 +ATOM C C . PHE A0 1 29 . 29 PHE A0 C 0 14.379536 -8.866123 -12.710098 1 212 1 +ATOM O O . PHE A0 1 29 . 29 PHE A0 O 0 13.246983 -8.718191 -12.238876 1 213 1 +ATOM C CB . PHE A0 1 29 . 29 PHE A0 CB 0 15.083456 -7.4095993 -14.626627 1 214 1 +ATOM C CG . PHE A0 1 29 . 29 PHE A0 CG 0 13.666051 -7.272933 -15.121187 1 215 1 +ATOM C CD1 . PHE A0 1 29 . 29 PHE A0 CD1 0 13.060644 -8.30681 -15.814392 1 216 1 +ATOM C CD2 . PHE A0 1 29 . 29 PHE A0 CD2 0 12.952431 -6.101397 -14.919703 1 217 1 +ATOM C CE1 . PHE A0 1 29 . 29 PHE A0 CE1 0 11.767219 -8.174143 -16.28286 1 218 1 +ATOM C CE2 . PHE A0 1 29 . 29 PHE A0 CE2 0 11.660555 -5.964897 -15.386238 1 219 1 +ATOM C CZ . PHE A0 1 29 . 29 PHE A0 CZ 0 11.064369 -7.004942 -16.069687 1 220 1 +ATOM N N . SER A0 1 30 . 30 SER A0 N 0 14.934725 -10.079443 -12.868533 1 221 1 +ATOM C CA . SER A0 1 30 . 30 SER A0 CA 0 14.19861 -11.302776 -12.592995 1 222 1 +ATOM C C . SER A0 1 30 . 30 SER A0 C 0 14.072535 -11.631153 -11.106459 1 223 1 +ATOM O O . SER A0 1 30 . 30 SER A0 O 0 13.401113 -12.609268 -10.755609 1 224 1 +ATOM C CB . SER A0 1 30 . 30 SER A0 CB 0 14.845314 -12.488487 -13.324948 1 225 1 +ATOM O OG . SER A0 1 30 . 30 SER A0 OG 0 16.164394 -12.70369 -12.866825 1 226 1 +ATOM N N . SER A0 1 31 . 31 SER A0 N 0 14.682104 -10.834946 -10.231955 1 227 1 +ATOM C CA . SER A0 1 31 . 31 SER A0 CA 0 14.710163 -11.126204 -8.804472 1 228 1 +ATOM C C . SER A0 1 31 . 31 SER A0 C 0 13.781616 -10.257059 -7.9572515 1 229 1 +ATOM O O . SER A0 1 31 . 31 SER A0 O 0 13.828091 -10.327059 -6.724447 1 230 1 +ATOM C CB . SER A0 1 31 . 31 SER A0 CB 0 16.139538 -11.006806 -8.273083 1 231 1 +ATOM O OG . SER A0 1 31 . 31 SER A0 OG 0 16.986572 -11.970079 -8.881431 1 232 1 +ATOM N N . TYR A0 1 32 . 32 TYR A0 N 0 12.947302 -9.428182 -8.593636 1 233 1 +ATOM C CA . TYR A0 1 32 . 32 TYR A0 CA 0 12.024853 -8.565822 -7.8588486 1 234 1 +ATOM C C . TYR A0 1 32 . 32 TYR A0 C 0 10.643946 -8.574337 -8.501917 1 235 1 +ATOM O O . TYR A0 1 32 . 32 TYR A0 O 0 10.525671 -8.639208 -9.728176 1 236 1 +ATOM C CB . TYR A0 1 32 . 32 TYR A0 CB 0 12.531015 -7.117444 -7.8203287 1 237 1 +ATOM C CG . TYR A0 1 32 . 32 TYR A0 CG 0 13.790556 -6.925913 -7.0096807 1 238 1 +ATOM C CD1 . TYR A0 1 32 . 32 TYR A0 CD1 0 15.048006 -7.0785866 -7.5933127 1 239 1 +ATOM C CD2 . TYR A0 1 32 . 32 TYR A0 CD2 0 13.731251 -6.5851 -5.6656275 1 240 1 +ATOM C CE1 . TYR A0 1 32 . 32 TYR A0 CE1 0 16.202024 -6.9110723 -6.8580847 1 241 1 +ATOM C CE2 . TYR A0 1 32 . 32 TYR A0 CE2 0 14.884005 -6.41419 -4.920478 1 242 1 +ATOM C CZ . TYR A0 1 32 . 32 TYR A0 CZ 0 16.11074 -6.575247 -5.5231853 1 243 1 +ATOM O OH . TYR A0 1 32 . 32 TYR A0 OH 0 17.25273 -6.4052095 -4.7965307 1 244 1 +ATOM N N . TRP A0 1 33 . 33 TRP A0 N 0 9.612515 -8.477816 -7.6805177 1 245 1 +ATOM C CA . TRP A0 1 33 . 33 TRP A0 CA 0 8.255368 -8.318804 -8.172848 1 246 1 +ATOM C C . TRP A0 1 33 . 33 TRP A0 C 0 8.098986 -6.922384 -8.773279 1 247 1 +ATOM O O . TRP A0 1 33 . 33 TRP A0 O 0 8.74457 -5.9607487 -8.329704 1 248 1 +ATOM C CB . TRP A0 1 33 . 33 TRP A0 CB 0 7.2451982 -8.451351 -7.031025 1 249 1 +ATOM C CG . TRP A0 1 33 . 33 TRP A0 CG 0 7.1352773 -9.793017 -6.3941264 1 250 1 +ATOM C CD1 . TRP A0 1 33 . 33 TRP A0 CD1 0 7.8237743 -10.237856 -5.3087764 1 251 1 +ATOM C CD2 . TRP A0 1 33 . 33 TRP A0 CD2 0 6.2398043 -10.842917 -6.766604 1 252 1 +ATOM N NE1 . TRP A0 1 33 . 33 TRP A0 NE1 0 7.4158554 -11.508072 -4.9800196 1 253 1 +ATOM C CE2 . TRP A0 1 33 . 33 TRP A0 CE2 0 6.445139 -11.906517 -5.8641353 1 254 1 +ATOM C CE3 . TRP A0 1 33 . 33 TRP A0 CE3 0 5.2906446 -10.992803 -7.785377 1 255 1 +ATOM C CZ2 . TRP A0 1 33 . 33 TRP A0 CZ2 0 5.727507 -13.096039 -5.938162 1 256 1 +ATOM C CZ3 . TRP A0 1 33 . 33 TRP A0 CZ3 0 4.5802026 -12.176861 -7.858989 1 257 1 +ATOM C CH2 . TRP A0 1 33 . 33 TRP A0 CH2 0 4.812271 -13.21459 -6.9397573 1 258 1 +ATOM N N . ILE A0 1 34 . 34 ILE A0 N 0 7.2309856 -6.7896957 -9.793544 1 259 1 +ATOM C CA . ILE A0 1 34 . 34 ILE A0 CA 0 6.8691816 -5.487067 -10.351366 1 260 1 +ATOM C C . ILE A0 1 34 . 34 ILE A0 C 0 5.3453064 -5.3719826 -10.25683 1 261 1 +ATOM O O . ILE A0 1 34 . 34 ILE A0 O 0 4.6231723 -6.2750463 -10.699567 1 262 1 +ATOM C CB . ILE A0 1 34 . 34 ILE A0 CB 0 7.3047886 -5.3318367 -11.818149 1 263 1 +ATOM C CG1 . ILE A0 1 34 . 34 ILE A0 CG1 0 8.82981 -5.441304 -11.935215 1 264 1 +ATOM C CG2 . ILE A0 1 34 . 34 ILE A0 CG2 0 6.8108444 -3.9765673 -12.365726 1 265 1 +ATOM C CD1 . ILE A0 1 34 . 34 ILE A0 CD1 0 9.605582 -4.326168 -11.2522745 1 266 1 +ATOM N N . GLY A0 1 35 . 35 GLY A0 N 0 4.872962 -4.280969 -9.66601 1 267 1 +ATOM C CA . GLY A0 1 35 . 35 GLY A0 CA 0 3.4443147 -4.076825 -9.51055 1 268 1 +ATOM C C . GLY A0 1 35 . 35 GLY A0 C 0 2.923545 -2.9772365 -10.408833 1 269 1 +ATOM O O . GLY A0 1 35 . 35 GLY A0 O 0 3.6913095 -2.1431284 -10.905088 1 270 1 +ATOM N N . TRP A0 1 36 . 36 TRP A0 N 0 1.5965654 -2.9846296 -10.628902 1 271 1 +ATOM C CA . TRP A0 1 36 . 36 TRP A0 CA 0 0.9178736 -1.94975 -11.390974 1 272 1 +ATOM C C . TRP A0 1 36 . 36 TRP A0 C 0 -0.10026649 -1.2686672 -10.494566 1 273 1 +ATOM O O . TRP A0 1 36 . 36 TRP A0 O 0 -0.8365767 -1.9371531 -9.753458 1 274 1 +ATOM C CB . TRP A0 1 36 . 36 TRP A0 CB 0 0.2176543 -2.5335836 -12.629963 1 275 1 +ATOM C CG . TRP A0 1 36 . 36 TRP A0 CG 0 1.1492808 -2.920512 -13.732353 1 276 1 +ATOM C CD1 . TRP A0 1 36 . 36 TRP A0 CD1 0 1.6495262 -4.1686125 -13.982821 1 277 1 +ATOM C CD2 . TRP A0 1 36 . 36 TRP A0 CD2 0 1.6894071 -2.060822 -14.740441 1 278 1 +ATOM N NE1 . TRP A0 1 36 . 36 TRP A0 NE1 0 2.4696023 -4.1343555 -15.0820875 1 279 1 +ATOM C CE2 . TRP A0 1 36 . 36 TRP A0 CE2 0 2.513618 -2.8563743 -15.566566 1 280 1 +ATOM C CE3 . TRP A0 1 36 . 36 TRP A0 CE3 0 1.5554022 -0.6979534 -15.026106 1 281 1 +ATOM C CZ2 . TRP A0 1 36 . 36 TRP A0 CZ2 0 3.203468 -2.3287241 -16.666267 1 282 1 +ATOM C CZ3 . TRP A0 1 36 . 36 TRP A0 CZ3 0 2.2394483 -0.18114337 -16.114166 1 283 1 +ATOM C CH2 . TRP A0 1 36 . 36 TRP A0 CH2 0 3.0499587 -0.99273145 -16.91867 1 284 1 +ATOM N N . VAL A0 1 37 . 37 VAL A0 N 0 -0.1430254 0.05569134 -10.584192 1 285 1 +ATOM C CA . VAL A0 1 37 . 37 VAL A0 CA 0 -1.0401427 0.86448514 -9.768325 1 286 1 +ATOM C C . VAL A0 1 37 . 37 VAL A0 C 0 -1.8057373 1.8230488 -10.673601 1 287 1 +ATOM O O . VAL A0 1 37 . 37 VAL A0 O 0 -1.2041333 2.504504 -11.513711 1 288 1 +ATOM C CB . VAL A0 1 37 . 37 VAL A0 CB 0 -0.25588235 1.6635094 -8.700844 1 289 1 +ATOM C CG1 . VAL A0 1 37 . 37 VAL A0 CG1 0 -1.1849555 2.592949 -7.929759 1 290 1 +ATOM C CG2 . VAL A0 1 37 . 37 VAL A0 CG2 0 0.4703119 0.7122982 -7.752669 1 291 1 +ATOM N N . ARG A0 1 38 . 38 ARG A0 N 0 -3.144362 1.8874404 -10.499187 1 292 1 +ATOM C CA . ARG A0 1 38 . 38 ARG A0 CA 0 -3.9803 2.7989037 -11.274942 1 293 1 +ATOM C C . ARG A0 1 38 . 38 ARG A0 C 0 -4.313262 4.036607 -10.450895 1 294 1 +ATOM O O . ARG A0 1 38 . 38 ARG A0 O 0 -4.548727 3.9477735 -9.243994 1 295 1 +ATOM C CB . ARG A0 1 38 . 38 ARG A0 CB 0 -5.2959614 2.1066022 -11.692905 1 296 1 +ATOM C CG . ARG A0 1 38 . 38 ARG A0 CG 0 -6.2192163 3.0163488 -12.510077 1 297 1 +ATOM C CD . ARG A0 1 38 . 38 ARG A0 CD 0 -7.505349 2.2920942 -12.879553 1 298 1 +ATOM N NE . ARG A0 1 38 . 38 ARG A0 NE 0 -8.448065 2.246724 -11.750059 1 299 1 +ATOM C CZ . ARG A0 1 38 . 38 ARG A0 CZ 0 -9.673002 1.7179422 -11.836053 1 300 1 +ATOM N NH1 . ARG A0 1 38 . 38 ARG A0 NH1 0 -10.10222 1.2076912 -12.988766 1 301 1 +ATOM N NH2 . ARG A0 1 38 . 38 ARG A0 NH2 0 -10.453793 1.7123616 -10.7555895 1 302 1 +ATOM N N . GLN A0 1 39 . 39 GLN A0 N 0 -4.3393755 5.1971064 -11.113983 1 303 1 +ATOM C CA . GLN A0 1 39 . 39 GLN A0 CA 0 -4.7759066 6.434103 -10.479727 1 304 1 +ATOM C C . GLN A0 1 39 . 39 GLN A0 C 0 -5.7068615 7.168046 -11.44084 1 305 1 +ATOM O O . GLN A0 1 39 . 39 GLN A0 O 0 -5.2570615 7.7719636 -12.415888 1 306 1 +ATOM C CB . GLN A0 1 39 . 39 GLN A0 CB 0 -3.5869284 7.3200884 -10.099455 1 307 1 +ATOM C CG . GLN A0 1 39 . 39 GLN A0 CG 0 -4.02037 8.545807 -9.296549 1 308 1 +ATOM C CD . GLN A0 1 39 . 39 GLN A0 CD 0 -2.8525367 9.277843 -8.67975 1 309 1 +ATOM O OE1 . GLN A0 1 39 . 39 GLN A0 OE1 0 -1.8289802 9.496587 -9.326954 1 310 1 +ATOM N NE2 . GLN A0 1 39 . 39 GLN A0 NE2 0 -2.9835138 9.646629 -7.4031897 1 311 1 +ATOM N N . MET A0 1 40 . 40 MET A0 N 0 -7.0003657 7.08331 -11.160955 1 312 1 +ATOM C CA . MET A0 1 40 . 40 MET A0 CA 0 -7.989398 7.7453213 -12.00315 1 313 1 +ATOM C C . MET A0 1 40 . 40 MET A0 C 0 -7.936283 9.249874 -11.757984 1 314 1 +ATOM O O . MET A0 1 40 . 40 MET A0 O 0 -7.469468 9.697037 -10.705076 1 315 1 +ATOM C CB . MET A0 1 40 . 40 MET A0 CB 0 -9.385714 7.1984463 -11.719145 1 316 1 +ATOM C CG . MET A0 1 40 . 40 MET A0 CG 0 -9.492884 5.702526 -11.998547 1 317 1 +ATOM S SD . MET A0 1 40 . 40 MET A0 SD 0 -11.162058 5.0425177 -11.787706 1 318 1 +ATOM C CE . MET A0 1 40 . 40 MET A0 CE 0 -11.931004 5.6236954 -13.30496 1 319 1 +ATOM N N . PRO A0 1 41 . 41 PRO A0 N 0 -8.381387 10.05946 -12.719471 1 320 1 +ATOM C CA . PRO A0 1 41 . 41 PRO A0 CA 0 -8.293438 11.51585 -12.578684 1 321 1 +ATOM C C . PRO A0 1 41 . 41 PRO A0 C 0 -8.907193 12.023663 -11.279322 1 322 1 +ATOM O O . PRO A0 1 41 . 41 PRO A0 O 0 -10.066633 11.751224 -10.967922 1 323 1 +ATOM C CB . PRO A0 1 41 . 41 PRO A0 CB 0 -9.060764 12.039976 -13.79837 1 324 1 +ATOM C CG . PRO A0 1 41 . 41 PRO A0 CG 0 -8.875216 10.963781 -14.830493 1 325 1 +ATOM C CD . PRO A0 1 41 . 41 PRO A0 CD 0 -8.933423 9.672808 -14.040782 1 326 1 +ATOM N N . GLY A0 1 42 . 42 GLY A0 N 0 -8.104124 12.748746 -10.497997 1 327 1 +ATOM C CA . GLY A0 1 42 . 42 GLY A0 CA 0 -8.552022 13.314201 -9.244963 1 328 1 +ATOM C C . GLY A0 1 42 . 42 GLY A0 C 0 -8.770858 12.328134 -8.116774 1 329 1 +ATOM O O . GLY A0 1 42 . 42 GLY A0 O 0 -9.318267 12.697054 -7.0777497 1 330 1 +ATOM N N . LYS A0 1 43 . 43 LYS A0 N 0 -8.350538 11.076903 -8.310925 1 331 1 +ATOM C CA . LYS A0 1 43 . 43 LYS A0 CA 0 -8.550872 10.036215 -7.304154 1 332 1 +ATOM C C . LYS A0 1 43 . 43 LYS A0 C 0 -7.23511 9.537071 -6.7373447 1 333 1 +ATOM O O . LYS A0 1 43 . 43 LYS A0 O 0 -6.1458755 9.949347 -7.161933 1 334 1 +ATOM C CB . LYS A0 1 43 . 43 LYS A0 CB 0 -9.337276 8.861225 -7.9124985 1 335 1 +ATOM C CG . LYS A0 1 43 . 43 LYS A0 CG 0 -10.664017 9.247358 -8.538555 1 336 1 +ATOM C CD . LYS A0 1 43 . 43 LYS A0 CD 0 -11.640573 9.812124 -7.4964423 1 337 1 +ATOM C CE . LYS A0 1 43 . 43 LYS A0 CE 0 -12.983557 10.139214 -8.13014 1 338 1 +ATOM N NZ . LYS A0 1 43 . 43 LYS A0 NZ 0 -13.935349 10.667858 -7.1419144 1 339 1 +ATOM N N . GLY A0 1 44 . 44 GLY A0 N 0 -7.3283033 8.635946 -5.752258 1 340 1 +ATOM C CA . GLY A0 1 44 . 44 GLY A0 CA 0 -6.1380315 8.082111 -5.1250324 1 341 1 +ATOM C C . GLY A0 1 44 . 44 GLY A0 C 0 -5.578434 6.8859777 -5.8679256 1 342 1 +ATOM O O . GLY A0 1 44 . 44 GLY A0 O 0 -5.9197993 6.6261854 -7.0281453 1 343 1 +ATOM N N . LEU A0 1 45 . 45 LEU A0 N 0 -4.704258 6.1487093 -5.185598 1 344 1 +ATOM C CA . LEU A0 1 45 . 45 LEU A0 CA 0 -4.0063553 5.02275 -5.783719 1 345 1 +ATOM C C . LEU A0 1 45 . 45 LEU A0 C 0 -4.762109 3.7126212 -5.580217 1 346 1 +ATOM O O . LEU A0 1 45 . 45 LEU A0 O 0 -5.291565 3.45254 -4.5003037 1 347 1 +ATOM C CB . LEU A0 1 45 . 45 LEU A0 CB 0 -2.600565 4.900969 -5.182497 1 348 1 +ATOM C CG . LEU A0 1 45 . 45 LEU A0 CG 0 -1.7197999 6.1556444 -5.2864375 1 349 1 +ATOM C CD1 . LEU A0 1 45 . 45 LEU A0 CD1 0 -0.4863422 5.997888 -4.4045057 1 350 1 +ATOM C CD2 . LEU A0 1 45 . 45 LEU A0 CD2 0 -1.3211187 6.407551 -6.733473 1 351 1 +ATOM N N . GLU A0 1 46 . 46 GLU A0 N 0 -4.7938347 2.8791695 -6.633854 1 352 1 +ATOM C CA . GLU A0 1 46 . 46 GLU A0 CA 0 -5.436404 1.570905 -6.576802 1 353 1 +ATOM C C . GLU A0 1 46 . 46 GLU A0 C 0 -4.4536047 0.523644 -7.0897875 1 354 1 +ATOM O O . GLU A0 1 46 . 46 GLU A0 O 0 -4.022977 0.578719 -8.240982 1 355 1 +ATOM C CB . GLU A0 1 46 . 46 GLU A0 CB 0 -6.6897335 1.5305696 -7.4612155 1 356 1 +ATOM C CG . GLU A0 1 46 . 46 GLU A0 CG 0 -7.771763 2.540001 -7.112376 1 357 1 +ATOM C CD . GLU A0 1 46 . 46 GLU A0 CD 0 -8.88982 2.5115209 -8.137188 1 358 1 +ATOM O OE1 . GLU A0 1 46 . 46 GLU A0 OE1 0 -8.843037 3.3010368 -9.108629 1 359 1 +ATOM O OE2 . GLU A0 1 46 . 46 GLU A0 OE2 0 -9.808816 1.6761975 -7.977108 1 360 1 +ATOM N N . TRP A0 1 47 . 47 TRP A0 N 0 -4.1194334 -0.43105945 -6.2320075 1 361 1 +ATOM C CA . TRP A0 1 47 . 47 TRP A0 CA 0 -3.2407522 -1.5127175 -6.6379423 1 362 1 +ATOM C C . TRP A0 1 47 . 47 TRP A0 C 0 -3.9937615 -2.4532213 -7.5679684 1 363 1 +ATOM O O . TRP A0 1 47 . 47 TRP A0 O 0 -5.101797 -2.8825655 -7.2732353 1 364 1 +ATOM C CB . TRP A0 1 47 . 47 TRP A0 CB 0 -2.7350361 -2.2826147 -5.406034 1 365 1 +ATOM C CG . TRP A0 1 47 . 47 TRP A0 CG 0 -1.8922333 -3.462455 -5.7537193 1 366 1 +ATOM C CD1 . TRP A0 1 47 . 47 TRP A0 CD1 0 -0.6251974 -3.4380774 -6.249902 1 367 1 +ATOM C CD2 . TRP A0 1 47 . 47 TRP A0 CD2 0 -2.239421 -4.836048 -5.639081 1 368 1 +ATOM N NE1 . TRP A0 1 47 . 47 TRP A0 NE1 0 -0.17746383 -4.7169027 -6.435939 1 369 1 +ATOM C CE2 . TRP A0 1 47 . 47 TRP A0 CE2 0 -1.1520579 -5.599619 -6.0768056 1 370 1 +ATOM C CE3 . TRP A0 1 47 . 47 TRP A0 CE3 0 -3.3904781 -5.5125055 -5.2039332 1 371 1 +ATOM C CZ2 . TRP A0 1 47 . 47 TRP A0 CZ2 0 -1.1583656 -6.988512 -6.093193 1 372 1 +ATOM C CZ3 . TRP A0 1 47 . 47 TRP A0 CZ3 0 -3.400782 -6.898422 -5.2214503 1 373 1 +ATOM C CH2 . TRP A0 1 47 . 47 TRP A0 CH2 0 -2.2914748 -7.6193175 -5.660713 1 374 1 +ATOM N N . MET A0 1 48 . 48 MET A0 N 0 -3.382055 -2.759607 -8.71109 1 375 1 +ATOM C CA . MET A0 1 48 . 48 MET A0 CA 0 -4.0166435 -3.6055267 -9.720497 1 376 1 +ATOM C C . MET A0 1 48 . 48 MET A0 C 0 -3.5368161 -5.0467753 -9.663755 1 377 1 +ATOM O O . MET A0 1 48 . 48 MET A0 O 0 -4.345192 -5.9751487 -9.682929 1 378 1 +ATOM C CB . MET A0 1 48 . 48 MET A0 CB 0 -3.7714522 -3.0388112 -11.127094 1 379 1 +ATOM C CG . MET A0 1 48 . 48 MET A0 CG 0 -4.2999396 -1.630334 -11.321693 1 380 1 +ATOM S SD . MET A0 1 48 . 48 MET A0 SD 0 -3.941142 -1.0021931 -12.97825 1 381 1 +ATOM C CE . MET A0 1 48 . 48 MET A0 CE 0 -5.0774136 -1.9972391 -13.946094 1 382 1 +ATOM N N . GLY A0 1 49 . 49 GLY A0 N 0 -2.2650557 -5.237584 -9.623295 1 383 1 +ATOM C CA . GLY A0 1 49 . 49 GLY A0 CA 0 -1.6992044 -6.5737867 -9.614096 1 384 1 +ATOM C C . GLY A0 1 49 . 49 GLY A0 C 0 -0.18619633 -6.523632 -9.577332 1 385 1 +ATOM O O . GLY A0 1 49 . 49 GLY A0 O 0 0.4168854 -5.4447737 -9.515487 1 386 1 +ATOM N N . ILE A0 1 50 . 50 ILE A0 N 0 0.40924132 -7.700814 -9.597688 1 387 1 +ATOM C CA . ILE A0 1 50 . 50 ILE A0 CA 0 1.8546785 -7.796558 -9.450935 1 388 1 +ATOM C C . ILE A0 1 50 . 50 ILE A0 C 0 2.361641 -9.028933 -10.199106 1 389 1 +ATOM O O . ILE A0 1 50 . 50 ILE A0 O 0 1.6183486 -9.9992895 -10.395485 1 390 1 +ATOM C CB . ILE A0 1 50 . 50 ILE A0 CB 0 2.2229428 -7.8543477 -7.9511347 1 391 1 +ATOM C CG1 . ILE A0 1 50 . 50 ILE A0 CG1 0 3.690867 -7.5184293 -7.71527 1 392 1 +ATOM C CG2 . ILE A0 1 50 . 50 ILE A0 CG2 0 1.8376688 -9.208219 -7.349929 1 393 1 +ATOM C CD1 . ILE A0 1 50 . 50 ILE A0 CD1 0 4.0011997 -7.2080297 -6.242758 1 394 1 +ATOM N N . ILE A0 1 51 . 51 ILE A0 N 0 3.611289 -8.979838 -10.655563 1 395 1 +ATOM C CA . ILE A0 1 51 . 51 ILE A0 CA 0 4.2071257 -10.108772 -11.370116 1 396 1 +ATOM C C . ILE A0 1 51 . 51 ILE A0 C 0 5.6572742 -10.283667 -10.937873 1 397 1 +ATOM O O . ILE A0 1 51 . 51 ILE A0 O 0 6.353518 -9.302898 -10.653366 1 398 1 +ATOM C CB . ILE A0 1 51 . 51 ILE A0 CB 0 4.1193476 -9.920677 -12.909874 1 399 1 +ATOM C CG1 . ILE A0 1 51 . 51 ILE A0 CG1 0 4.5650444 -11.1960125 -13.6362295 1 400 1 +ATOM C CG2 . ILE A0 1 51 . 51 ILE A0 CG2 0 4.966634 -8.713545 -13.36884 1 401 1 +ATOM C CD1 . ILE A0 1 51 . 51 ILE A0 CD1 0 4.264164 -11.197929 -15.125662 1 402 1 +ATOM N N . PHE A0 1 52 . 52 PHE A0 N 0 6.1097283 -11.551123 -10.8565235 1 403 1 +ATOM C CA . PHE A0 1 52 . 52 PHE A0 CA 0 7.5149555 -11.852264 -10.603865 1 404 1 +ATOM C C . PHE A0 1 52 . 52 PHE A0 C 0 8.1362915 -12.235186 -11.948046 1 405 1 +ATOM O O . PHE A0 1 52 . 52 PHE A0 O 0 7.8335686 -13.310491 -12.482489 1 406 1 +ATOM C CB . PHE A0 1 52 . 52 PHE A0 CB 0 7.663782 -12.993763 -9.602416 1 407 1 +ATOM C CG . PHE A0 1 52 . 52 PHE A0 CG 0 9.069788 -13.136057 -9.075653 1 408 1 +ATOM C CD1 . PHE A0 1 52 . 52 PHE A0 CD1 0 9.911989 -14.124144 -9.555245 1 409 1 +ATOM C CD2 . PHE A0 1 52 . 52 PHE A0 CD2 0 9.545934 -12.277979 -8.107489 1 410 1 +ATOM C CE1 . PHE A0 1 52 . 52 PHE A0 CE1 0 11.208986 -14.24513 -9.078785 1 411 1 +ATOM C CE2 . PHE A0 1 52 . 52 PHE A0 CE2 0 10.843145 -12.393109 -7.627297 1 412 1 +ATOM C CZ . PHE A0 1 52 . 52 PHE A0 CZ 0 11.673355 -13.382646 -8.115299 1 413 1 +ATOM N N . PRO A0 1 53 . 53 PRO A0 N 0 8.973024 -11.357124 -12.5484915 1 414 1 +ATOM C CA . PRO A0 1 53 . 53 PRO A0 CA 0 9.479073 -11.600196 -13.900513 1 415 1 +ATOM C C . PRO A0 1 53 . 53 PRO A0 C 0 10.246113 -12.907572 -14.078649 1 416 1 +ATOM O O . PRO A0 1 53 . 53 PRO A0 O 0 10.26437 -13.4568615 -15.188522 1 417 1 +ATOM C CB . PRO A0 1 53 . 53 PRO A0 CB 0 10.37817 -10.384313 -14.160395 1 418 1 +ATOM C CG . PRO A0 1 53 . 53 PRO A0 CG 0 9.824487 -9.3190775 -13.27696 1 419 1 +ATOM C CD . PRO A0 1 53 . 53 PRO A0 CD 0 9.410471 -10.056148 -12.026945 1 420 1 +ATOM N N . GLY A0 1 54 . 54 GLY A0 N 0 10.890254 -13.420584 -13.028796 1 421 1 +ATOM C CA . GLY A0 1 54 . 54 GLY A0 CA 0 11.68977 -14.631168 -13.13973 1 422 1 +ATOM C C . GLY A0 1 54 . 54 GLY A0 C 0 10.933622 -15.833248 -13.664313 1 423 1 +ATOM O O . GLY A0 1 54 . 54 GLY A0 O 0 11.45256 -16.576323 -14.49942 1 424 1 +ATOM N N . ASP A0 1 55 . 55 ASP A0 N 0 9.68956 -16.049767 -13.189518 1 425 1 +ATOM C CA . ASP A0 1 55 . 55 ASP A0 CA 0 8.877266 -17.171661 -13.644461 1 426 1 +ATOM C C . ASP A0 1 55 . 55 ASP A0 C 0 7.459953 -16.752327 -14.024462 1 427 1 +ATOM O O . ASP A0 1 55 . 55 ASP A0 O 0 6.605215 -17.61374 -14.237704 1 428 1 +ATOM C CB . ASP A0 1 55 . 55 ASP A0 CB 0 8.844424 -18.279966 -12.5782175 1 429 1 +ATOM C CG . ASP A0 1 55 . 55 ASP A0 CG 0 8.1995945 -17.828836 -11.271563 1 430 1 +ATOM O OD1 . ASP A0 1 55 . 55 ASP A0 OD1 0 7.747944 -16.664886 -11.184732 1 431 1 +ATOM O OD2 . ASP A0 1 55 . 55 ASP A0 OD2 0 8.14677 -18.647203 -10.33026 1 432 1 +ATOM N N . SER A0 1 56 . 56 SER A0 N 0 7.2200947 -15.456082 -14.126751 1 433 1 +ATOM C CA . SER A0 1 56 . 56 SER A0 CA 0 5.933221 -14.889196 -14.518351 1 434 1 +ATOM C C . SER A0 1 56 . 56 SER A0 C 0 4.77767 -15.257002 -13.584638 1 435 1 +ATOM O O . SER A0 1 56 . 56 SER A0 O 0 3.6220732 -15.304788 -14.005148 1 436 1 +ATOM C CB . SER A0 1 56 . 56 SER A0 CB 0 5.5877223 -15.269661 -15.961589 1 437 1 +ATOM O OG . SER A0 1 56 . 56 SER A0 OG 0 6.506494 -14.676151 -16.863365 1 438 1 +ATOM N N . ASP A0 1 57 . 57 ASP A0 N 0 5.0795603 -15.478676 -12.316919 1 439 1 +ATOM C CA . ASP A0 1 57 . 57 ASP A0 CA 0 4.052961 -15.681217 -11.298233 1 440 1 +ATOM C C . ASP A0 1 57 . 57 ASP A0 C 0 3.2882905 -14.366127 -11.164356 1 441 1 +ATOM O O . ASP A0 1 57 . 57 ASP A0 O 0 3.8971655 -13.286573 -11.092782 1 442 1 +ATOM C CB . ASP A0 1 57 . 57 ASP A0 CB 0 4.7171097 -16.054413 -9.964924 1 443 1 +ATOM C CG . ASP A0 1 57 . 57 ASP A0 CG 0 3.7327359 -16.485302 -8.896849 1 444 1 +ATOM O OD1 . ASP A0 1 57 . 57 ASP A0 OD1 0 2.5136085 -16.536324 -9.165544 1 445 1 +ATOM O OD2 . ASP A0 1 57 . 57 ASP A0 OD2 0 4.183736 -16.79087 -7.7746305 1 446 1 +ATOM N N . LYS A0 1 58 . 58 LYS A0 N 0 1.937239 -14.435335 -11.152516 1 447 1 +ATOM C CA . LYS A0 1 58 . 58 LYS A0 CA 0 1.101757 -13.235345 -11.1175585 1 448 1 +ATOM C C . LYS A0 1 58 . 58 LYS A0 C 0 0.06993896 -13.285604 -10.003496 1 449 1 +ATOM O O . LYS A0 1 58 . 58 LYS A0 O 0 -0.41978097 -14.350069 -9.644045 1 450 1 +ATOM C CB . LYS A0 1 58 . 58 LYS A0 CB 0 0.3381971 -13.055374 -12.436927 1 451 1 +ATOM C CG . LYS A0 1 58 . 58 LYS A0 CG 0 1.1333506 -13.225805 -13.6999035 1 452 1 +ATOM C CD . LYS A0 1 58 . 58 LYS A0 CD 0 0.20933637 -13.152315 -14.9098835 1 453 1 +ATOM C CE . LYS A0 1 58 . 58 LYS A0 CE 0 0.87878966 -13.680747 -16.156528 1 454 1 +ATOM N NZ . LYS A0 1 58 . 58 LYS A0 NZ 0 1.0413034 -15.1597805 -16.076008 1 455 1 +ATOM N N . ARG A0 1 59 . 59 ARG A0 N 0 -0.2824091 -12.108484 -9.514296 1 456 1 +ATOM C CA . ARG A0 1 59 . 59 ARG A0 CA 0 -1.3831755 -11.969009 -8.5731535 1 457 1 +ATOM C C . ARG A0 1 59 . 59 ARG A0 C 0 -2.1431065 -10.695103 -8.895021 1 458 1 +ATOM O O . ARG A0 1 59 . 59 ARG A0 O 0 -1.539181 -9.67497 -9.255259 1 459 1 +ATOM C CB . ARG A0 1 59 . 59 ARG A0 CB 0 -0.8752386 -11.905724 -7.1267414 1 460 1 +ATOM C CG . ARG A0 1 59 . 59 ARG A0 CG 0 -0.12655056 -13.161324 -6.6646767 1 461 1 +ATOM C CD . ARG A0 1 59 . 59 ARG A0 CD 0 -1.0214534 -14.373968 -6.5629225 1 462 1 +ATOM N NE . ARG A0 1 59 . 59 ARG A0 NE 0 -0.31932008 -15.521385 -6.001005 1 463 1 +ATOM C CZ . ARG A0 1 59 . 59 ARG A0 CZ 0 0.40962273 -16.370232 -6.7053366 1 464 1 +ATOM N NH1 . ARG A0 1 59 . 59 ARG A0 NH1 0 0.5376518 -16.214909 -8.028552 1 465 1 +ATOM N NH2 . ARG A0 1 59 . 59 ARG A0 NH2 0 1.0195804 -17.37135 -6.113632 1 466 1 +ATOM N N . TYR A0 1 60 . 60 TYR A0 N 0 -3.467409 -10.720518 -8.772572 1 467 1 +ATOM C CA . TYR A0 1 60 . 60 TYR A0 CA 0 -4.3009577 -9.574358 -9.089061 1 468 1 +ATOM C C . TYR A0 1 60 . 60 TYR A0 C 0 -5.1518173 -9.15107 -7.8983793 1 469 1 +ATOM O O . TYR A0 1 60 . 60 TYR A0 O 0 -5.570747 -9.994372 -7.0965695 1 470 1 +ATOM C CB . TYR A0 1 60 . 60 TYR A0 CB 0 -5.243154 -9.892576 -10.264204 1 471 1 +ATOM C CG . TYR A0 1 60 . 60 TYR A0 CG 0 -4.5620627 -10.207744 -11.569311 1 472 1 +ATOM C CD1 . TYR A0 1 60 . 60 TYR A0 CD1 0 -4.2347155 -11.516047 -11.90748 1 473 1 +ATOM C CD2 . TYR A0 1 60 . 60 TYR A0 CD2 0 -4.2581253 -9.198511 -12.477215 1 474 1 +ATOM C CE1 . TYR A0 1 60 . 60 TYR A0 CE1 0 -3.610545 -11.817362 -13.110332 1 475 1 +ATOM C CE2 . TYR A0 1 60 . 60 TYR A0 CE2 0 -3.6354342 -9.486259 -13.687697 1 476 1 +ATOM C CZ . TYR A0 1 60 . 60 TYR A0 CZ 0 -3.3166473 -10.7998295 -13.991257 1 477 1 +ATOM O OH . TYR A0 1 60 . 60 TYR A0 OH 0 -2.706974 -11.097185 -15.182999 1 478 1 +ATOM N N . SER A0 1 61 . 61 SER A0 N 0 -5.417418 -7.8602085 -7.827438 1 479 1 +ATOM C CA . SER A0 1 61 . 61 SER A0 CA 0 -6.392872 -7.3609376 -6.866684 1 480 1 +ATOM C C . SER A0 1 61 . 61 SER A0 C 0 -7.757341 -7.9185486 -7.244999 1 481 1 +ATOM O O . SER A0 1 61 . 61 SER A0 O 0 -8.064128 -8.031462 -8.436321 1 482 1 +ATOM C CB . SER A0 1 61 . 61 SER A0 CB 0 -6.425697 -5.8293986 -6.9051685 1 483 1 +ATOM O OG . SER A0 1 61 . 61 SER A0 OG 0 -7.6207104 -5.3290205 -6.326297 1 484 1 +ATOM N N . PRO A0 1 62 . 62 PRO A0 N 0 -8.601149 -8.282553 -6.2632413 1 485 1 +ATOM C CA . PRO A0 1 62 . 62 PRO A0 CA 0 -9.943333 -8.773201 -6.5958643 1 486 1 +ATOM C C . PRO A0 1 62 . 62 PRO A0 C 0 -10.720373 -7.785968 -7.460701 1 487 1 +ATOM O O . PRO A0 1 62 . 62 PRO A0 O 0 -11.53437 -8.205872 -8.292864 1 488 1 +ATOM C CB . PRO A0 1 62 . 62 PRO A0 CB 0 -10.593679 -8.952675 -5.217843 1 489 1 +ATOM C CG . PRO A0 1 62 . 62 PRO A0 CG 0 -9.449226 -9.223781 -4.3045797 1 490 1 +ATOM C CD . PRO A0 1 62 . 62 PRO A0 CD 0 -8.334584 -8.350102 -4.816409 1 491 1 +ATOM N N . SER A0 1 63 . 63 SER A0 N 0 -10.484854 -6.4842167 -7.2932243 1 492 1 +ATOM C CA . SER A0 1 63 . 63 SER A0 CA 0 -11.179892 -5.4604793 -8.067267 1 493 1 +ATOM C C . SER A0 1 63 . 63 SER A0 C 0 -10.749754 -5.4250164 -9.534811 1 494 1 +ATOM O O . SER A0 1 63 . 63 SER A0 O 0 -11.454798 -4.8566985 -10.3651285 1 495 1 +ATOM C CB . SER A0 1 63 . 63 SER A0 CB 0 -10.968018 -4.0808816 -7.445004 1 496 1 +ATOM O OG . SER A0 1 63 . 63 SER A0 OG 0 -11.509895 -4.0192 -6.1360545 1 497 1 +ATOM N N . PHE A0 1 64 . 64 PHE A0 N 0 -9.588312 -6.0013804 -9.841343 1 498 1 +ATOM C CA . PHE A0 1 64 . 64 PHE A0 CA 0 -9.076758 -6.0003805 -11.208687 1 499 1 +ATOM C C . PHE A0 1 64 . 64 PHE A0 C 0 -8.949894 -7.3928385 -11.803332 1 500 1 +ATOM O O . PHE A0 1 64 . 64 PHE A0 O 0 -8.584898 -7.516947 -12.973373 1 501 1 +ATOM C CB . PHE A0 1 64 . 64 PHE A0 CB 0 -7.719283 -5.2761154 -11.26152 1 502 1 +ATOM C CG . PHE A0 1 64 . 64 PHE A0 CG 0 -7.8217354 -3.7934077 -11.001061 1 503 1 +ATOM C CD1 . PHE A0 1 64 . 64 PHE A0 CD1 0 -7.6786127 -3.2756422 -9.721329 1 504 1 +ATOM C CD2 . PHE A0 1 64 . 64 PHE A0 CD2 0 -8.080303 -2.9114013 -12.044647 1 505 1 +ATOM C CE1 . PHE A0 1 64 . 64 PHE A0 CE1 0 -7.8001547 -1.9084716 -9.478471 1 506 1 +ATOM C CE2 . PHE A0 1 64 . 64 PHE A0 CE2 0 -8.197717 -1.5463251 -11.805578 1 507 1 +ATOM C CZ . PHE A0 1 64 . 64 PHE A0 CZ 0 -8.052638 -1.0441989 -10.523907 1 508 1 +ATOM N N . GLN A0 1 65 . 65 GLN A0 N 0 -9.272992 -8.433552 -11.027788 1 509 1 +ATOM C CA . GLN A0 1 65 . 65 GLN A0 CA 0 -9.201632 -9.812105 -11.503452 1 510 1 +ATOM C C . GLN A0 1 65 . 65 GLN A0 C 0 -10.088688 -9.979127 -12.741228 1 511 1 +ATOM O O . GLN A0 1 65 . 65 GLN A0 O 0 -11.280578 -9.657198 -12.707532 1 512 1 +ATOM C CB . GLN A0 1 65 . 65 GLN A0 CB 0 -9.6542015 -10.765316 -10.404251 1 513 1 +ATOM C CG . GLN A0 1 65 . 65 GLN A0 CG 0 -9.551536 -12.236683 -10.771804 1 514 1 +ATOM C CD . GLN A0 1 65 . 65 GLN A0 CD 0 -8.128254 -12.757945 -10.691752 1 515 1 +ATOM O OE1 . GLN A0 1 65 . 65 GLN A0 OE1 0 -7.4581285 -12.572851 -9.685699 1 516 1 +ATOM N NE2 . GLN A0 1 65 . 65 GLN A0 NE2 0 -7.6814737 -13.405463 -11.756431 1 517 1 +ATOM N N . GLY A0 1 66 . 66 GLY A0 N 0 -9.502539 -10.473455 -13.82066 1 518 1 +ATOM C CA . GLY A0 1 66 . 66 GLY A0 CA 0 -10.242506 -10.690317 -15.052676 1 519 1 +ATOM C C . GLY A0 1 66 . 66 GLY A0 C 0 -10.432882 -9.456571 -15.90578 1 520 1 +ATOM O O . GLY A0 1 66 . 66 GLY A0 O 0 -10.992395 -9.555034 -17.004875 1 521 1 +ATOM N N . GLN A0 1 67 . 67 GLN A0 N 0 -10.006815 -8.292186 -15.413208 1 522 1 +ATOM C CA . GLN A0 1 67 . 67 GLN A0 CA 0 -10.177629 -7.040142 -16.146492 1 523 1 +ATOM C C . GLN A0 1 67 . 67 GLN A0 C 0 -8.9462185 -6.6780643 -16.966713 1 524 1 +ATOM O O . GLN A0 1 67 . 67 GLN A0 O 0 -9.069475 -6.0172205 -18.00013 1 525 1 +ATOM C CB . GLN A0 1 67 . 67 GLN A0 CB 0 -10.507107 -5.8934155 -15.179964 1 526 1 +ATOM C CG . GLN A0 1 67 . 67 GLN A0 CG 0 -11.685411 -6.1767297 -14.256388 1 527 1 +ATOM C CD . GLN A0 1 67 . 67 GLN A0 CD 0 -12.951527 -6.488324 -15.025994 1 528 1 +ATOM O OE1 . GLN A0 1 67 . 67 GLN A0 OE1 0 -13.327936 -5.7827272 -15.953099 1 529 1 +ATOM N NE2 . GLN A0 1 67 . 67 GLN A0 NE2 0 -13.627619 -7.5886726 -14.6429205 1 530 1 +ATOM N N . VAL A0 1 68 . 68 VAL A0 N 0 -7.7797055 -7.082785 -16.494526 1 531 1 +ATOM C CA . VAL A0 1 68 . 68 VAL A0 CA 0 -6.51718 -6.8185277 -17.177433 1 532 1 +ATOM C C . VAL A0 1 68 . 68 VAL A0 C 0 -5.6468897 -8.062235 -17.097933 1 533 1 +ATOM O O . VAL A0 1 68 . 68 VAL A0 O 0 -5.911669 -8.969386 -16.312664 1 534 1 +ATOM C CB . VAL A0 1 68 . 68 VAL A0 CB 0 -5.7543197 -5.623714 -16.545616 1 535 1 +ATOM C CG1 . VAL A0 1 68 . 68 VAL A0 CG1 0 -6.5083103 -4.309351 -16.774439 1 536 1 +ATOM C CG2 . VAL A0 1 68 . 68 VAL A0 CG2 0 -5.5190926 -5.8745522 -15.059409 1 537 1 +ATOM N N . THR A0 1 69 . 69 THR A0 N 0 -4.5968037 -8.1008625 -17.92667 1 538 1 +ATOM C CA . THR A0 1 69 . 69 THR A0 CA 0 -3.6438751 -9.19923 -17.9013 1 539 1 +ATOM C C . THR A0 1 69 . 69 THR A0 C 0 -2.2410293 -8.621977 -17.735842 1 540 1 +ATOM O O . THR A0 1 69 . 69 THR A0 O 0 -1.8567194 -7.7044625 -18.461256 1 541 1 +ATOM C CB . THR A0 1 69 . 69 THR A0 CB 0 -3.707437 -10.033982 -19.192272 1 542 1 +ATOM O OG1 . THR A0 1 69 . 69 THR A0 OG1 0 -5.0094123 -10.600651 -19.338428 1 543 1 +ATOM C CG2 . THR A0 1 69 . 69 THR A0 CG2 0 -2.66765 -11.149955 -19.171967 1 544 1 +ATOM N N . ILE A0 1 70 . 70 ILE A0 N 0 -1.5089402 -9.139513 -16.751297 1 545 1 +ATOM C CA . ILE A0 1 70 . 70 ILE A0 CA 0 -0.13145925 -8.722595 -16.519505 1 546 1 +ATOM C C . ILE A0 1 70 . 70 ILE A0 C 0 0.7893221 -9.818657 -17.046219 1 547 1 +ATOM O O . ILE A0 1 70 . 70 ILE A0 O 0 0.52787614 -11.004679 -16.849285 1 548 1 +ATOM C CB . ILE A0 1 70 . 70 ILE A0 CB 0 0.13008648 -8.477123 -15.014215 1 549 1 +ATOM C CG1 . ILE A0 1 70 . 70 ILE A0 CG1 0 -0.7896041 -7.3638215 -14.500845 1 550 1 +ATOM C CG2 . ILE A0 1 70 . 70 ILE A0 CG2 0 1.6017584 -8.120225 -14.778412 1 551 1 +ATOM C CD1 . ILE A0 1 70 . 70 ILE A0 CD1 0 -0.76125234 -7.1864967 -12.985327 1 552 1 +ATOM N N . SER A0 1 71 . 71 SER A0 N 0 1.8545464 -9.42395 -17.738016 1 553 1 +ATOM C CA . SER A0 1 71 . 71 SER A0 CA 0 2.8110511 -10.386425 -18.286324 1 554 1 +ATOM C C . SER A0 1 71 . 71 SER A0 C 0 4.219847 -9.802548 -18.221088 1 555 1 +ATOM O O . SER A0 1 71 . 71 SER A0 O 0 4.39839 -8.63208 -17.882824 1 556 1 +ATOM C CB . SER A0 1 71 . 71 SER A0 CB 0 2.4469023 -10.760125 -19.726322 1 557 1 +ATOM O OG . SER A0 1 71 . 71 SER A0 OG 0 2.453397 -9.625387 -20.568182 1 558 1 +ATOM N N . ALA A0 1 72 . 72 ALA A0 N 0 5.2058945 -10.638296 -18.529676 1 559 1 +ATOM C CA . ALA A0 1 72 . 72 ALA A0 CA 0 6.5883026 -10.187805 -18.492105 1 560 1 +ATOM C C . ALA A0 1 72 . 72 ALA A0 C 0 7.426497 -10.857267 -19.570831 1 561 1 +ATOM O O . ALA A0 1 72 . 72 ALA A0 O 0 7.122331 -11.9612665 -20.01212 1 562 1 +ATOM C CB . ALA A0 1 72 . 72 ALA A0 CB 0 7.210435 -10.4707365 -17.119062 1 563 1 +ATOM N N . ASP A0 1 73 . 73 ASP A0 N 0 8.454229 -10.16584 -20.006508 1 564 1 +ATOM C CA . ASP A0 1 73 . 73 ASP A0 CA 0 9.443892 -10.702695 -20.951002 1 565 1 +ATOM C C . ASP A0 1 73 . 73 ASP A0 C 0 10.805655 -10.390863 -20.331367 1 566 1 +ATOM O O . ASP A0 1 73 . 73 ASP A0 O 0 11.32959 -9.285988 -20.492119 1 567 1 +ATOM C CB . ASP A0 1 73 . 73 ASP A0 CB 0 9.305885 -10.041405 -22.33228 1 568 1 +ATOM C CG . ASP A0 1 73 . 73 ASP A0 CG 0 10.251081 -10.650513 -23.363293 1 569 1 +ATOM O OD1 . ASP A0 1 73 . 73 ASP A0 OD1 0 11.156454 -11.4186535 -22.97334 1 570 1 +ATOM O OD2 . ASP A0 1 73 . 73 ASP A0 OD2 0 10.084245 -10.355317 -24.569372 1 571 1 +ATOM N N . LYS A0 1 74 . 74 LYS A0 N 0 11.345769 -11.38092 -19.61629 1 572 1 +ATOM C CA . LYS A0 1 74 . 74 LYS A0 CA 0 12.593592 -11.132725 -18.906916 1 573 1 +ATOM C C . LYS A0 1 74 . 74 LYS A0 C 0 13.796972 -10.968939 -19.840115 1 574 1 +ATOM O O . LYS A0 1 74 . 74 LYS A0 O 0 14.824627 -10.436399 -19.424114 1 575 1 +ATOM C CB . LYS A0 1 74 . 74 LYS A0 CB 0 12.871052 -12.24597 -17.885612 1 576 1 +ATOM C CG . LYS A0 1 74 . 74 LYS A0 CG 0 12.9285345 -13.644581 -18.46717 1 577 1 +ATOM C CD . LYS A0 1 74 . 74 LYS A0 CD 0 13.106493 -14.666412 -17.335402 1 578 1 +ATOM C CE . LYS A0 1 74 . 74 LYS A0 CE 0 13.062923 -16.08057 -17.877344 1 579 1 +ATOM N NZ . LYS A0 1 74 . 74 LYS A0 NZ 0 13.167054 -17.079914 -16.779133 1 580 1 +ATOM N N . SER A0 1 75 . 75 SER A0 N 0 13.656431 -11.391806 -21.132336 1 581 1 +ATOM C CA . SER A0 1 75 . 75 SER A0 CA 0 14.7576 -11.239983 -22.078949 1 582 1 +ATOM C C . SER A0 1 75 . 75 SER A0 C 0 15.028992 -9.773551 -22.403753 1 583 1 +ATOM O O . SER A0 1 75 . 75 SER A0 O 0 16.14896 -9.418589 -22.783024 1 584 1 +ATOM C CB . SER A0 1 75 . 75 SER A0 CB 0 14.471791 -12.009777 -23.370323 1 585 1 +ATOM O OG . SER A0 1 75 . 75 SER A0 OG 0 13.434705 -11.411934 -24.1251 1 586 1 +ATOM N N . ILE A0 1 76 . 76 ILE A0 N 0 13.9934635 -8.91099 -22.256552 1 587 1 +ATOM C CA . ILE A0 1 76 . 76 ILE A0 CA 0 14.165581 -7.483 -22.488241 1 588 1 +ATOM C C . ILE A0 1 76 . 76 ILE A0 C 0 13.811386 -6.669973 -21.244642 1 589 1 +ATOM O O . ILE A0 1 76 . 76 ILE A0 O 0 13.571167 -5.4586563 -21.327227 1 590 1 +ATOM C CB . ILE A0 1 76 . 76 ILE A0 CB 0 13.331456 -6.989154 -23.696651 1 591 1 +ATOM C CG1 . ILE A0 1 76 . 76 ILE A0 CG1 0 11.859797 -7.331505 -23.520313 1 592 1 +ATOM C CG2 . ILE A0 1 76 . 76 ILE A0 CG2 0 13.881658 -7.5804524 -24.993355 1 593 1 +ATOM C CD1 . ILE A0 1 76 . 76 ILE A0 CD1 0 10.943991 -6.6810517 -24.553936 1 594 1 +ATOM N N . SER A0 1 77 . 77 SER A0 N 0 13.790915 -7.333561 -20.091824 1 595 1 +ATOM C CA . SER A0 1 77 . 77 SER A0 CA 0 13.548706 -6.684573 -18.806252 1 596 1 +ATOM C C . SER A0 1 77 . 77 SER A0 C 0 12.305884 -5.800996 -18.827028 1 597 1 +ATOM O O . SER A0 1 77 . 77 SER A0 O 0 12.31657 -4.669505 -18.334736 1 598 1 +ATOM C CB . SER A0 1 77 . 77 SER A0 CB 0 14.769157 -5.858385 -18.386066 1 599 1 +ATOM O OG . SER A0 1 77 . 77 SER A0 OG 0 15.934992 -6.661069 -18.313057 1 600 1 +ATOM N N . THR A0 1 78 . 78 THR A0 N 0 11.202348 -6.342841 -19.37696 1 601 1 +ATOM C CA . THR A0 1 78 . 78 THR A0 CA 0 9.983429 -5.561699 -19.533165 1 602 1 +ATOM C C . THR A0 1 78 . 78 THR A0 C 0 8.758842 -6.3054867 -19.00334 1 603 1 +ATOM O O . THR A0 1 78 . 78 THR A0 O 0 8.600498 -7.505248 -19.241323 1 604 1 +ATOM C CB . THR A0 1 78 . 78 THR A0 CB 0 9.761555 -5.195702 -21.012676 1 605 1 +ATOM O OG1 . THR A0 1 78 . 78 THR A0 OG1 0 10.888596 -4.4478908 -21.491709 1 606 1 +ATOM C CG2 . THR A0 1 78 . 78 THR A0 CG2 0 8.498259 -4.3556414 -21.194706 1 607 1 +ATOM N N . VAL A0 1 79 . 79 VAL A0 N 0 7.889969 -5.571719 -18.279953 1 608 1 +ATOM C CA . VAL A0 1 79 . 79 VAL A0 CA 0 6.605866 -6.1093225 -17.857271 1 609 1 +ATOM C C . VAL A0 1 79 . 79 VAL A0 C 0 5.5171204 -5.333707 -18.5881 1 610 1 +ATOM O O . VAL A0 1 79 . 79 VAL A0 O 0 5.7231135 -4.193312 -19.018156 1 611 1 +ATOM C CB . VAL A0 1 79 . 79 VAL A0 CB 0 6.396023 -6.0148168 -16.32473 1 612 1 +ATOM C CG1 . VAL A0 1 79 . 79 VAL A0 CG1 0 7.455525 -6.828884 -15.592241 1 613 1 +ATOM C CG2 . VAL A0 1 79 . 79 VAL A0 CG2 0 6.393378 -4.571653 -15.858335 1 614 1 +ATOM N N . TYR A0 1 80 . 80 TYR A0 N 0 4.329935 -5.9672947 -18.738659 1 615 1 +ATOM C CA . TYR A0 1 80 . 80 TYR A0 CA 0 3.2305284 -5.3852625 -19.49413 1 616 1 +ATOM C C . TYR A0 1 80 . 80 TYR A0 C 0 1.9178658 -5.4089804 -18.71859 1 617 1 +ATOM O O . TYR A0 1 80 . 80 TYR A0 O 0 1.6973141 -6.284181 -17.87652 1 618 1 +ATOM C CB . TYR A0 1 80 . 80 TYR A0 CB 0 3.022815 -6.1351323 -20.815058 1 619 1 +ATOM C CG . TYR A0 1 80 . 80 TYR A0 CG 0 4.25226 -6.2185783 -21.684292 1 620 1 +ATOM C CD1 . TYR A0 1 80 . 80 TYR A0 CD1 0 5.0794377 -7.333411 -21.653187 1 621 1 +ATOM C CD2 . TYR A0 1 80 . 80 TYR A0 CD2 0 4.5800095 -5.178854 -22.547527 1 622 1 +ATOM C CE1 . TYR A0 1 80 . 80 TYR A0 CE1 0 6.209357 -7.411352 -22.45307 1 623 1 +ATOM C CE2 . TYR A0 1 80 . 80 TYR A0 CE2 0 5.709294 -5.2486777 -23.352455 1 624 1 +ATOM C CZ . TYR A0 1 80 . 80 TYR A0 CZ 0 6.5195246 -6.371216 -23.298664 1 625 1 +ATOM O OH . TYR A0 1 80 . 80 TYR A0 OH 0 7.635242 -6.4469013 -24.088789 1 626 1 +ATOM N N . LEU A0 1 81 . 81 LEU A0 N 0 1.0665088 -4.4511213 -19.048897 1 627 1 +ATOM C CA . LEU A0 1 81 . 81 LEU A0 CA 0 -0.3033909 -4.3958015 -18.56066 1 628 1 +ATOM C C . LEU A0 1 81 . 81 LEU A0 C 0 -1.1805543 -4.345513 -19.8036 1 629 1 +ATOM O O . LEU A0 1 81 . 81 LEU A0 O 0 -0.9994449 -3.461927 -20.6521 1 630 1 +ATOM C CB . LEU A0 1 81 . 81 LEU A0 CB 0 -0.5418631 -3.1569638 -17.694399 1 631 1 +ATOM C CG . LEU A0 1 81 . 81 LEU A0 CG 0 -1.9544525 -2.9905112 -17.111942 1 632 1 +ATOM C CD1 . LEU A0 1 81 . 81 LEU A0 CD1 0 -2.0714965 -1.6237423 -16.427711 1 633 1 +ATOM C CD2 . LEU A0 1 81 . 81 LEU A0 CD2 0 -2.2742743 -4.1102552 -16.133034 1 634 1 +ATOM N N . GLN A0 1 82 . 82 GLN A0 N 0 -2.1150982 -5.2984953 -19.93325 1 635 1 +ATOM C CA . GLN A0 1 82 . 82 GLN A0 CA 0 -2.8916569 -5.4305387 -21.16248 1 636 1 +ATOM C C . GLN A0 1 82 . 82 GLN A0 C 0 -4.3982654 -5.47095 -20.92083 1 637 1 +ATOM O O . GLN A0 1 82 . 82 GLN A0 O 0 -4.863014 -6.074191 -19.945007 1 638 1 +ATOM C CB . GLN A0 1 82 . 82 GLN A0 CB 0 -2.453434 -6.694212 -21.92495 1 639 1 +ATOM C CG . GLN A0 1 82 . 82 GLN A0 CG 0 -3.1786482 -6.912949 -23.239494 1 640 1 +ATOM C CD . GLN A0 1 82 . 82 GLN A0 CD 0 -2.681395 -8.143419 -23.975643 1 641 1 +ATOM O OE1 . GLN A0 1 82 . 82 GLN A0 OE1 0 -1.5287619 -8.545907 -23.836412 1 642 1 +ATOM N NE2 . GLN A0 1 82 . 82 GLN A0 NE2 0 -3.540111 -8.752523 -24.774446 1 643 1 +ATOM N N . TRP A0 1 83 . 83 TRP A0 N 0 -5.1441383 -4.8367825 -21.818357 1 644 1 +ATOM C CA . TRP A0 1 83 . 83 TRP A0 CA 0 -6.600892 -4.8916173 -21.860073 1 645 1 +ATOM C C . TRP A0 1 83 . 83 TRP A0 C 0 -6.9962244 -5.517409 -23.196533 1 646 1 +ATOM O O . TRP A0 1 83 . 83 TRP A0 O 0 -6.4280024 -5.179553 -24.244251 1 647 1 +ATOM C CB . TRP A0 1 83 . 83 TRP A0 CB 0 -7.229057 -3.4932866 -21.806889 1 648 1 +ATOM C CG . TRP A0 1 83 . 83 TRP A0 CG 0 -7.0351896 -2.7171774 -20.54665 1 649 1 +ATOM C CD1 . TRP A0 1 83 . 83 TRP A0 CD1 0 -7.921916 -2.5881143 -19.526117 1 650 1 +ATOM C CD2 . TRP A0 1 83 . 83 TRP A0 CD2 0 -5.904457 -1.917306 -20.186062 1 651 1 +ATOM N NE1 . TRP A0 1 83 . 83 TRP A0 NE1 0 -7.40288 -1.7619911 -18.564302 1 652 1 +ATOM C CE2 . TRP A0 1 83 . 83 TRP A0 CE2 0 -6.1704473 -1.3465953 -18.930357 1 653 1 +ATOM C CE3 . TRP A0 1 83 . 83 TRP A0 CE3 0 -4.6771455 -1.6504873 -20.811466 1 654 1 +ATOM C CZ2 . TRP A0 1 83 . 83 TRP A0 CZ2 0 -5.2612877 -0.5010221 -18.294724 1 655 1 +ATOM C CZ3 . TRP A0 1 83 . 83 TRP A0 CZ3 0 -3.7772286 -0.8159759 -20.174698 1 656 1 +ATOM C CH2 . TRP A0 1 83 . 83 TRP A0 CH2 0 -4.075589 -0.26448938 -18.923746 1 657 1 +ATOM N N . SER A0 1 84 . 84 SER A0 N 0 -7.9777107 -6.398878 -23.173813 1 658 1 +ATOM C CA . SER A0 1 84 . 84 SER A0 CA 0 -8.486376 -6.969805 -24.42091 1 659 1 +ATOM C C . SER A0 1 84 . 84 SER A0 C 0 -9.60836 -6.106945 -24.99636 1 660 1 +ATOM O O . SER A0 1 84 . 84 SER A0 O 0 -9.856248 -6.130845 -26.200886 1 661 1 +ATOM C CB . SER A0 1 84 . 84 SER A0 CB 0 -9.001118 -8.393455 -24.191868 1 662 1 +ATOM O OG . SER A0 1 84 . 84 SER A0 OG 0 -10.0573225 -8.402435 -23.259062 1 663 1 +ATOM N N . SER A0 1 85 . 85 SER A0 N 0 -10.281666 -5.363783 -24.123123 1 664 1 +ATOM C CA . SER A0 1 85 . 85 SER A0 CA 0 -11.370403 -4.4863 -24.540487 1 665 1 +ATOM C C . SER A0 1 85 . 85 SER A0 C 0 -11.461767 -3.3063664 -23.575613 1 666 1 +ATOM O O . SER A0 1 85 . 85 SER A0 O 0 -11.981692 -3.4413872 -22.465036 1 667 1 +ATOM C CB . SER A0 1 85 . 85 SER A0 CB 0 -12.6986685 -5.24764 -24.581419 1 668 1 +ATOM O OG . SER A0 1 85 . 85 SER A0 OG 0 -13.766998 -4.4172816 -25.031303 1 669 1 +ATOM N N . LEU A0 1 86 . 86 LEU A0 N 0 -10.962997 -2.1524143 -24.015692 1 670 1 +ATOM C CA . LEU A0 1 86 . 86 LEU A0 CA 0 -10.927651 -0.96718025 -23.174122 1 671 1 +ATOM C C . LEU A0 1 86 . 86 LEU A0 C 0 -12.313641 -0.36059758 -22.973293 1 672 1 +ATOM O O . LEU A0 1 86 . 86 LEU A0 O 0 -13.164173 -0.408405 -23.868109 1 673 1 +ATOM C CB . LEU A0 1 86 . 86 LEU A0 CB 0 -9.997316 0.09097798 -23.780296 1 674 1 +ATOM C CG . LEU A0 1 86 . 86 LEU A0 CG 0 -8.499741 -0.18913591 -23.68917 1 675 1 +ATOM C CD1 . LEU A0 1 86 . 86 LEU A0 CD1 0 -7.7531223 0.66683066 -24.71239 1 676 1 +ATOM C CD2 . LEU A0 1 86 . 86 LEU A0 CD2 0 -8.002304 0.110041425 -22.280716 1 677 1 +ATOM N N . LYS A0 1 87 . 87 LYS A0 N 0 -12.522035 0.22126047 -21.7872 1 678 1 +ATOM C CA . LYS A0 1 87 . 87 LYS A0 CA 0 -13.731783 0.95955217 -21.457466 1 679 1 +ATOM C C . LYS A0 1 87 . 87 LYS A0 C 0 -13.337444 2.3984244 -21.172878 1 680 1 +ATOM O O . LYS A0 1 87 . 87 LYS A0 O 0 -12.190096 2.6809335 -20.805672 1 681 1 +ATOM C CB . LYS A0 1 87 . 87 LYS A0 CB 0 -14.418912 0.3547348 -20.227104 1 682 1 +ATOM C CG . LYS A0 1 87 . 87 LYS A0 CG 0 -14.845459 -1.0859199 -20.405186 1 683 1 +ATOM C CD . LYS A0 1 87 . 87 LYS A0 CD 0 -15.516322 -1.6079036 -19.130135 1 684 1 +ATOM C CE . LYS A0 1 87 . 87 LYS A0 CE 0 -14.544958 -1.729908 -17.97929 1 685 1 +ATOM N NZ . LYS A0 1 87 . 87 LYS A0 NZ 0 -13.5623665 -2.8375463 -18.17585 1 686 1 +ATOM N N . ALA A0 1 88 . 88 ALA A0 N 0 -14.309776 3.3066077 -21.323366 1 687 1 +ATOM C CA . ALA A0 1 88 . 88 ALA A0 CA 0 -14.041629 4.720082 -21.049948 1 688 1 +ATOM C C . ALA A0 1 88 . 88 ALA A0 C 0 -13.565176 4.9186916 -19.616814 1 689 1 +ATOM O O . ALA A0 1 88 . 88 ALA A0 O 0 -12.745234 5.7996035 -19.34518 1 690 1 +ATOM C CB . ALA A0 1 88 . 88 ALA A0 CB 0 -15.292746 5.558621 -21.321602 1 691 1 +ATOM N N . SER A0 1 89 . 89 SER A0 N 0 -14.058872 4.075139 -18.693203 1 692 1 +ATOM C CA . SER A0 1 89 . 89 SER A0 CA 0 -13.686207 4.1768684 -17.290709 1 693 1 +ATOM C C . SER A0 1 89 . 89 SER A0 C 0 -12.25053 3.7240255 -17.020555 1 694 1 +ATOM O O . SER A0 1 89 . 89 SER A0 O 0 -11.776775 3.8384342 -15.884112 1 695 1 +ATOM C CB . SER A0 1 89 . 89 SER A0 CB 0 -14.665146 3.371068 -16.419476 1 696 1 +ATOM O OG . SER A0 1 89 . 89 SER A0 OG 0 -14.686655 2.0117464 -16.78756 1 697 1 +ATOM N N . ASP A0 1 90 . 90 ASP A0 N 0 -11.55622 3.1968246 -18.035366 1 698 1 +ATOM C CA . ASP A0 1 90 . 90 ASP A0 CA 0 -10.153385 2.8267713 -17.884262 1 699 1 +ATOM C C . ASP A0 1 90 . 90 ASP A0 C 0 -9.23032 4.0366955 -18.027903 1 700 1 +ATOM O O . ASP A0 1 90 . 90 ASP A0 O 0 -8.01384 3.9024115 -17.871836 1 701 1 +ATOM C CB . ASP A0 1 90 . 90 ASP A0 CB 0 -9.754252 1.7625556 -18.923561 1 702 1 +ATOM C CG . ASP A0 1 90 . 90 ASP A0 CG 0 -10.377115 0.41045412 -18.63136 1 703 1 +ATOM O OD1 . ASP A0 1 90 . 90 ASP A0 OD1 0 -10.816673 -0.26180658 -19.59304 1 704 1 +ATOM O OD2 . ASP A0 1 90 . 90 ASP A0 OD2 0 -10.415991 0.0151877785 -17.438232 1 705 1 +ATOM N N . THR A0 1 91 . 91 THR A0 N 0 -9.785181 5.203933 -18.33122 1 706 1 +ATOM C CA . THR A0 1 91 . 91 THR A0 CA 0 -8.995064 6.4230556 -18.436743 1 707 1 +ATOM C C . THR A0 1 91 . 91 THR A0 C 0 -8.340881 6.718025 -17.089045 1 708 1 +ATOM O O . THR A0 1 91 . 91 THR A0 O 0 -9.027821 6.9100304 -16.089933 1 709 1 +ATOM C CB . THR A0 1 91 . 91 THR A0 CB 0 -9.871088 7.619529 -18.869986 1 710 1 +ATOM O OG1 . THR A0 1 91 . 91 THR A0 OG1 0 -10.384282 7.3802004 -20.184425 1 711 1 +ATOM C CG2 . THR A0 1 91 . 91 THR A0 CG2 0 -9.080339 8.918028 -18.85513 1 712 1 +ATOM N N . ALA A0 1 92 . 92 ALA A0 N 0 -7.0145235 6.7170415 -17.070114 1 713 1 +ATOM C CA . ALA A0 1 92 . 92 ALA A0 CA 0 -6.283087 6.909483 -15.825294 1 714 1 +ATOM C C . ALA A0 1 92 . 92 ALA A0 C 0 -4.7879186 6.942391 -16.095116 1 715 1 +ATOM O O . ALA A0 1 92 . 92 ALA A0 O 0 -4.336052 6.645166 -17.202963 1 716 1 +ATOM C CB . ALA A0 1 92 . 92 ALA A0 CB 0 -6.600914 5.781867 -14.8368225 1 717 1 +ATOM N N . MET A0 1 93 . 93 MET A0 N 0 -4.029549 7.320034 -15.054535 1 718 1 +ATOM C CA . MET A0 1 93 . 93 MET A0 CA 0 -2.5796423 7.204737 -15.0881405 1 719 1 +ATOM C C . MET A0 1 93 . 93 MET A0 C 0 -2.2356315 5.846231 -14.501257 1 720 1 +ATOM O O . MET A0 1 93 . 93 MET A0 O 0 -2.7962115 5.4389005 -13.477987 1 721 1 +ATOM C CB . MET A0 1 93 . 93 MET A0 CB 0 -1.9260991 8.3161335 -14.251245 1 722 1 +ATOM C CG . MET A0 1 93 . 93 MET A0 CG 0 -0.40509188 8.277775 -14.26448 1 723 1 +ATOM S SD . MET A0 1 93 . 93 MET A0 SD 0 0.28866756 8.776167 -15.853274 1 724 1 +ATOM C CE . MET A0 1 93 . 93 MET A0 CE 0 0.05854006 10.559106 -15.75886 1 725 1 +ATOM N N . TYR A0 1 94 . 94 TYR A0 N 0 -1.3439312 5.113154 -15.163188 1 726 1 +ATOM C CA . TYR A0 1 94 . 94 TYR A0 CA 0 -0.9235327 3.797677 -14.703157 1 727 1 +ATOM C C . TYR A0 1 94 . 94 TYR A0 C 0 0.56558084 3.817697 -14.378916 1 728 1 +ATOM O O . TYR A0 1 94 . 94 TYR A0 O 0 1.3812811 4.239282 -15.202974 1 729 1 +ATOM C CB . TYR A0 1 94 . 94 TYR A0 CB 0 -1.2363198 2.722248 -15.757183 1 730 1 +ATOM C CG . TYR A0 1 94 . 94 TYR A0 CG 0 -2.7203383 2.540895 -15.971455 1 731 1 +ATOM C CD1 . TYR A0 1 94 . 94 TYR A0 CD1 0 -3.4166384 3.3334284 -16.882557 1 732 1 +ATOM C CD2 . TYR A0 1 94 . 94 TYR A0 CD2 0 -3.438148 1.6084107 -15.22844 1 733 1 +ATOM C CE1 . TYR A0 1 94 . 94 TYR A0 CE1 0 -4.7883415 3.2005706 -17.046644 1 734 1 +ATOM C CE2 . TYR A0 1 94 . 94 TYR A0 CE2 0 -4.809205 1.4636497 -15.386654 1 735 1 +ATOM C CZ . TYR A0 1 94 . 94 TYR A0 CZ 0 -5.4762206 2.2626154 -16.298237 1 736 1 +ATOM O OH . TYR A0 1 94 . 94 TYR A0 OH 0 -6.8368196 2.133473 -16.45782 1 737 1 +ATOM N N . TYR A0 1 95 . 95 TYR A0 N 0 0.904601 3.3740444 -13.168579 1 738 1 +ATOM C CA . TYR A0 1 95 . 95 TYR A0 CA 0 2.289454 3.3367496 -12.715885 1 739 1 +ATOM C C . TYR A0 1 95 . 95 TYR A0 C 0 2.7616956 1.9027159 -12.51941 1 740 1 +ATOM O O . TYR A0 1 95 . 95 TYR A0 O 0 2.008481 1.0598217 -12.031067 1 741 1 +ATOM C CB . TYR A0 1 95 . 95 TYR A0 CB 0 2.4469633 4.054405 -11.367279 1 742 1 +ATOM C CG . TYR A0 1 95 . 95 TYR A0 CG 0 2.1778803 5.537623 -11.382929 1 743 1 +ATOM C CD1 . TYR A0 1 95 . 95 TYR A0 CD1 0 0.97369224 6.0495634 -10.9147415 1 744 1 +ATOM C CD2 . TYR A0 1 95 . 95 TYR A0 CD2 0 3.1446981 6.4336524 -11.819939 1 745 1 +ATOM C CE1 . TYR A0 1 95 . 95 TYR A0 CE1 0 0.7348521 7.4133453 -10.901458 1 746 1 +ATOM C CE2 . TYR A0 1 95 . 95 TYR A0 CE2 0 2.9100368 7.8008914 -11.807005 1 747 1 +ATOM C CZ . TYR A0 1 95 . 95 TYR A0 CZ 0 1.7084758 8.279263 -11.346317 1 748 1 +ATOM O OH . TYR A0 1 95 . 95 TYR A0 OH 0 1.4755405 9.623268 -11.328704 1 749 1 +ATOM N N . CYS A0 1 96 . 96 CYS A0 N 0 4.009347 1.6204851 -12.895683 1 750 1 +ATOM C CA . CYS A0 1 96 . 96 CYS A0 CA 0 4.6497145 0.3755986 -12.501133 1 751 1 +ATOM C C . CYS A0 1 96 . 96 CYS A0 C 0 5.617038 0.72805583 -11.3864 1 752 1 +ATOM O O . CYS A0 1 96 . 96 CYS A0 O 0 6.0795097 1.8695853 -11.282171 1 753 1 +ATOM C CB . CYS A0 1 96 . 96 CYS A0 CB 0 5.3792906 -0.30129778 -13.67108 1 754 1 +ATOM S SG . CYS A0 1 96 . 96 CYS A0 SG 0 6.7443295 0.6409122 -14.391257 1 755 1 +ATOM N N . ALA A0 1 97 . 97 ALA A0 N 0 5.8881655 -0.23980317 -10.504045 1 756 1 +ATOM C CA . ALA A0 1 97 . 97 ALA A0 CA 0 6.7716393 0.026302654 -9.374 1 757 1 +ATOM C C . ALA A0 1 97 . 97 ALA A0 C 0 7.4319763 -1.2675256 -8.909117 1 758 1 +ATOM O O . ALA A0 1 97 . 97 ALA A0 O 0 6.8096123 -2.33194 -8.931082 1 759 1 +ATOM C CB . ALA A0 1 97 . 97 ALA A0 CB 0 5.997491 0.6669981 -8.225293 1 760 1 +ATOM N N . ARG A0 1 98 . 98 ARG A0 N 0 8.713344 -1.1787375 -8.491535 1 761 1 +ATOM C CA . ARG A0 1 98 . 98 ARG A0 CA 0 9.440684 -2.3329515 -7.9999647 1 762 1 +ATOM C C . ARG A0 1 98 . 98 ARG A0 C 0 9.001322 -2.6499712 -6.57988 1 763 1 +ATOM O O . ARG A0 1 98 . 98 ARG A0 O 0 8.984497 -1.7624145 -5.7133856 1 764 1 +ATOM C CB . ARG A0 1 98 . 98 ARG A0 CB 0 10.957589 -2.093686 -8.029479 1 765 1 +ATOM C CG . ARG A0 1 98 . 98 ARG A0 CG 0 11.76124 -3.35634 -7.7272167 1 766 1 +ATOM C CD . ARG A0 1 98 . 98 ARG A0 CD 0 13.252294 -3.0866895 -7.7551837 1 767 1 +ATOM N NE . ARG A0 1 98 . 98 ARG A0 NE 0 13.714072 -2.4513206 -6.523936 1 768 1 +ATOM C CZ . ARG A0 1 98 . 98 ARG A0 CZ 0 14.983761 -2.365933 -6.1682158 1 769 1 +ATOM N NH1 . ARG A0 1 98 . 98 ARG A0 NH1 0 15.927771 -2.8837483 -6.9345665 1 770 1 +ATOM N NH2 . ARG A0 1 98 . 98 ARG A0 NH2 0 15.305483 -1.751169 -5.0426383 1 771 1 +ATOM N N . HIS A0 1 99 . 99 HIS A0 N 0 8.638498 -3.910811 -6.361641 1 772 1 +ATOM C CA . HIS A0 1 99 . 99 HIS A0 CA 0 8.1291275 -4.3501167 -5.066144 1 773 1 +ATOM C C . HIS A0 1 99 . 99 HIS A0 C 0 9.221171 -5.055464 -4.2579584 1 774 1 +ATOM O O . HIS A0 1 99 . 99 HIS A0 O 0 9.748883 -6.0885677 -4.6851225 1 775 1 +ATOM C CB . HIS A0 1 99 . 99 HIS A0 CB 0 6.9368334 -5.289537 -5.264155 1 776 1 +ATOM C CG . HIS A0 1 99 . 99 HIS A0 CG 0 6.200571 -5.6194205 -4.003806 1 777 1 +ATOM N ND1 . HIS A0 1 99 . 99 HIS A0 ND1 0 6.011373 -6.915044 -3.576877 1 778 1 +ATOM C CD2 . HIS A0 1 99 . 99 HIS A0 CD2 0 5.581156 -4.830493 -3.1056023 1 779 1 +ATOM C CE1 . HIS A0 1 99 . 99 HIS A0 CE1 0 5.3055468 -6.9006696 -2.4475532 1 780 1 +ATOM N NE2 . HIS A0 1 99 . 99 HIS A0 NE2 0 5.039174 -5.638292 -2.1396756 1 781 1 +ATOM N N . ILE A0 1 100 . 100 ILE A0 N 0 9.552475 -4.489628 -3.1119125 1 782 1 +ATOM C CA . ILE A0 1 100 . 100 ILE A0 CA 0 10.519255 -5.0810127 -2.1958857 1 783 1 +ATOM C C . ILE A0 1 100 . 100 ILE A0 C 0 9.757391 -5.970248 -1.2114556 1 784 1 +ATOM O O . ILE A0 1 100 . 100 ILE A0 O 0 8.817676 -5.510667 -0.5633911 1 785 1 +ATOM C CB . ILE A0 1 100 . 100 ILE A0 CB 0 11.300787 -4.0021477 -1.4147229 1 786 1 +ATOM C CG1 . ILE A0 1 100 . 100 ILE A0 CG1 0 12.1193695 -3.1355007 -2.38086 1 787 1 +ATOM C CG2 . ILE A0 1 100 . 100 ILE A0 CG2 0 12.189796 -4.6447244 -0.3554119 1 788 1 +ATOM C CD1 . ILE A0 1 100 . 100 ILE A0 CD1 0 13.24062 -3.8746424 -3.0815825 1 789 1 +ATOM N N . THR A0 1 101 . 101 THR A0 N 0 10.156916 -7.2432165 -1.1327708 1 790 1 +ATOM C CA . THR A0 1 101 . 101 THR A0 CA 0 9.533861 -8.165115 -0.1880363 1 791 1 +ATOM C C . THR A0 1 101 . 101 THR A0 C 0 10.547163 -8.478851 0.91993207 1 792 1 +ATOM O O . THR A0 1 101 . 101 THR A0 O 0 11.490622 -9.242764 0.71421236 1 793 1 +ATOM C CB . THR A0 1 101 . 101 THR A0 CB 0 9.102552 -9.474963 -0.8657 1 794 1 +ATOM O OG1 . THR A0 1 101 . 101 THR A0 OG1 0 10.1917 -10.020458 -1.6101159 1 795 1 +ATOM C CG2 . THR A0 1 101 . 101 THR A0 CG2 0 7.9268603 -9.2374525 -1.8019252 1 796 1 +ATOM N N . THR A0 1 102 . 102 THR A0 N 0 10.34536 -7.8666735 2.0833983 1 797 1 +ATOM C CA . THR A0 1 102 . 102 THR A0 CA 0 11.238668 -8.125196 3.2086563 1 798 1 +ATOM C C . THR A0 1 102 . 102 THR A0 C 0 10.994389 -9.520578 3.778801 1 799 1 +ATOM O O . THR A0 1 102 . 102 THR A0 O 0 11.9130535 -10.152229 4.303245 1 800 1 +ATOM C CB . THR A0 1 102 . 102 THR A0 CB 0 11.077486 -7.0643806 4.31174 1 801 1 +ATOM O OG1 . THR A0 1 102 . 102 THR A0 OG1 0 9.709246 -7.0047507 4.7266426 1 802 1 +ATOM C CG2 . THR A0 1 102 . 102 THR A0 CG2 0 11.506292 -5.694927 3.8148203 1 803 1 +ATOM N N . HIS A0 1 103 . 103 HIS A0 N 0 9.754526 -10.001223 3.6700478 1 804 1 +ATOM C CA . HIS A0 1 103 . 103 HIS A0 CA 0 9.378181 -11.381216 3.9396448 1 805 1 +ATOM C C . HIS A0 1 103 . 103 HIS A0 C 0 8.011127 -11.618448 3.3279989 1 806 1 +ATOM O O . HIS A0 1 103 . 103 HIS A0 O 0 7.4331026 -10.711908 2.7253346 1 807 1 +ATOM C CB . HIS A0 1 103 . 103 HIS A0 CB 0 9.411104 -11.728636 5.4315267 1 808 1 +ATOM C CG . HIS A0 1 103 . 103 HIS A0 CG 0 8.520401 -10.901573 6.3146915 1 809 1 +ATOM N ND1 . HIS A0 1 103 . 103 HIS A0 ND1 0 7.152177 -11.080636 6.358385 1 810 1 +ATOM C CD2 . HIS A0 1 103 . 103 HIS A0 CD2 0 8.804915 -9.924765 7.1959305 1 811 1 +ATOM C CE1 . HIS A0 1 103 . 103 HIS A0 CE1 0 6.6306057 -10.228624 7.235971 1 812 1 +ATOM N NE2 . HIS A0 1 103 . 103 HIS A0 NE2 0 7.623183 -9.51382 7.743722 1 813 1 +ATOM N N . THR A0 1 104 . 104 THR A0 N 0 7.459633 -12.8433 3.4563317 1 814 1 +ATOM C CA . THR A0 1 104 . 104 THR A0 CA 0 6.2324843 -13.234844 2.788401 1 815 1 +ATOM C C . THR A0 1 104 . 104 THR A0 C 0 5.072377 -12.268023 3.0099306 1 816 1 +ATOM O O . THR A0 1 104 . 104 THR A0 O 0 4.291215 -12.013144 2.086136 1 817 1 +ATOM C CB . THR A0 1 104 . 104 THR A0 CB 0 5.816371 -14.649368 3.233138 1 818 1 +ATOM O OG1 . THR A0 1 104 . 104 THR A0 OG1 0 6.9123917 -15.552174 3.002085 1 819 1 +ATOM C CG2 . THR A0 1 104 . 104 THR A0 CG2 0 4.599888 -15.140724 2.4439304 1 820 1 +ATOM N N . TYR A0 1 105 . 105 TYR A0 N 0 4.9339776 -11.7293 4.210842 1 821 1 +ATOM C CA . TYR A0 1 105 . 105 TYR A0 CA 0 3.802005 -10.867837 4.548028 1 822 1 +ATOM C C . TYR A0 1 105 . 105 TYR A0 C 0 4.1914306 -9.413094 4.788789 1 823 1 +ATOM O O . TYR A0 1 105 . 105 TYR A0 O 0 3.559668 -8.715791 5.580593 1 824 1 +ATOM C CB . TYR A0 1 105 . 105 TYR A0 CB 0 3.0795405 -11.427755 5.777069 1 825 1 +ATOM C CG . TYR A0 1 105 . 105 TYR A0 CG 0 2.478526 -12.795413 5.545337 1 826 1 +ATOM C CD1 . TYR A0 1 105 . 105 TYR A0 CD1 0 3.1760283 -13.957918 5.854372 1 827 1 +ATOM C CD2 . TYR A0 1 105 . 105 TYR A0 CD2 0 1.2109292 -12.923122 4.984151 1 828 1 +ATOM C CE1 . TYR A0 1 105 . 105 TYR A0 CE1 0 2.6240368 -15.208197 5.6107893 1 829 1 +ATOM C CE2 . TYR A0 1 105 . 105 TYR A0 CE2 0 0.6535419 -14.170242 4.743224 1 830 1 +ATOM C CZ . TYR A0 1 105 . 105 TYR A0 CZ 0 1.3597288 -15.312254 5.057767 1 831 1 +ATOM O OH . TYR A0 1 105 . 105 TYR A0 OH 0 0.8209573 -16.543427 4.8177476 1 832 1 +ATOM N N . ARG A0 1 106 . 106 ARG A0 N 0 5.2162495 -8.944946 4.0729074 1 833 1 +ATOM C CA . ARG A0 1 106 . 106 ARG A0 CA 0 5.723675 -7.602476 4.3184004 1 834 1 +ATOM C C . ARG A0 1 106 . 106 ARG A0 C 0 6.398469 -7.0843754 3.0556102 1 835 1 +ATOM O O . ARG A0 1 106 . 106 ARG A0 O 0 7.282048 -7.753248 2.5118794 1 836 1 +ATOM C CB . ARG A0 1 106 . 106 ARG A0 CB 0 6.7220716 -7.6750803 5.4756413 1 837 1 +ATOM C CG . ARG A0 1 106 . 106 ARG A0 CG 0 7.129221 -6.410114 6.1166124 1 838 1 +ATOM C CD . ARG A0 1 106 . 106 ARG A0 CD 0 7.838096 -6.787613 7.4025054 1 839 1 +ATOM N NE . ARG A0 1 106 . 106 ARG A0 NE 0 8.675751 -5.7226973 7.9190474 1 840 1 +ATOM C CZ . ARG A0 1 106 . 106 ARG A0 CZ 0 9.348848 -5.8104706 9.052385 1 841 1 +ATOM N NH1 . ARG A0 1 106 . 106 ARG A0 NH1 0 9.268812 -6.9160275 9.783514 1 842 1 +ATOM N NH2 . ARG A0 1 106 . 106 ARG A0 NH2 0 10.0855 -4.809984 9.448622 1 843 1 +ATOM N N . GLY A0 1 107 . 107 GLY A0 N 0 5.978858 -5.9226537 2.5844808 1 844 1 +ATOM C CA . GLY A0 1 107 . 107 GLY A0 CA 0 6.5709767 -5.3786464 1.3733066 1 845 1 +ATOM C C . GLY A0 1 107 . 107 GLY A0 C 0 6.1240997 -3.957657 1.0799117 1 846 1 +ATOM O O . GLY A0 1 107 . 107 GLY A0 O 0 5.1880455 -3.4398518 1.6880348 1 847 1 +ATOM N N . PHE A0 1 108 . 108 PHE A0 N 0 6.8000655 -3.3288488 0.10075985 1 848 1 +ATOM C CA . PHE A0 1 108 . 108 PHE A0 CA 0 6.5280647 -1.9518288 -0.29039496 1 849 1 +ATOM C C . PHE A0 1 108 . 108 PHE A0 C 0 7.130909 -1.6924497 -1.6585418 1 850 1 +ATOM O O . PHE A0 1 108 . 108 PHE A0 O 0 7.901735 -2.5075512 -2.1716747 1 851 1 +ATOM C CB . PHE A0 1 108 . 108 PHE A0 CB 0 7.103762 -0.971367 0.74553704 1 852 1 +ATOM C CG . PHE A0 1 108 . 108 PHE A0 CG 0 8.556669 -1.2261994 1.0578992 1 853 1 +ATOM C CD1 . PHE A0 1 108 . 108 PHE A0 CD1 0 8.9132595 -2.0788403 2.0927806 1 854 1 +ATOM C CD2 . PHE A0 1 108 . 108 PHE A0 CD2 0 9.559696 -0.6331622 0.30742782 1 855 1 +ATOM C CE1 . PHE A0 1 108 . 108 PHE A0 CE1 0 10.256449 -2.3334634 2.3790984 1 856 1 +ATOM C CE2 . PHE A0 1 108 . 108 PHE A0 CE2 0 10.89452 -0.8818043 0.588766 1 857 1 +ATOM C CZ . PHE A0 1 108 . 108 PHE A0 CZ 0 11.241077 -1.728567 1.6221863 1 858 1 +ATOM N N . PHE A0 1 109 . 109 PHE A0 N 0 6.7862 -0.54134077 -2.2687085 1 859 1 +ATOM C CA . PHE A0 1 109 . 109 PHE A0 CA 0 7.3135104 -0.15557516 -3.570256 1 860 1 +ATOM C C . PHE A0 1 109 . 109 PHE A0 C 0 8.379406 0.9250175 -3.3812835 1 861 1 +ATOM O O . PHE A0 1 109 . 109 PHE A0 O 0 8.069796 2.0213552 -2.909549 1 862 1 +ATOM C CB . PHE A0 1 109 . 109 PHE A0 CB 0 6.191663 0.39264816 -4.4655504 1 863 1 +ATOM C CG . PHE A0 1 109 . 109 PHE A0 CG 0 5.118965 -0.61443543 -4.790486 1 864 1 +ATOM C CD1 . PHE A0 1 109 . 109 PHE A0 CD1 0 3.8227072 -0.44791415 -4.311266 1 865 1 +ATOM C CD2 . PHE A0 1 109 . 109 PHE A0 CD2 0 5.398408 -1.7098684 -5.5879836 1 866 1 +ATOM C CE1 . PHE A0 1 109 . 109 PHE A0 CE1 0 2.8270764 -1.3687335 -4.6228075 1 867 1 +ATOM C CE2 . PHE A0 1 109 . 109 PHE A0 CE2 0 4.411168 -2.6350632 -5.905221 1 868 1 +ATOM C CZ . PHE A0 1 109 . 109 PHE A0 CZ 0 3.1242573 -2.461646 -5.4228497 1 869 1 +ATOM N N . ASP A0 1 110 . 110 ASP A0 N 0 9.635425 0.62582266 -3.7347593 1 870 1 +ATOM C CA . ASP A0 1 110 . 110 ASP A0 CA 0 10.692048 1.6115718 -3.508362 1 871 1 +ATOM C C . ASP A0 1 110 . 110 ASP A0 C 0 11.05158 2.4483266 -4.733927 1 872 1 +ATOM O O . ASP A0 1 110 . 110 ASP A0 O 0 11.553797 3.5630624 -4.581117 1 873 1 +ATOM C CB . ASP A0 1 110 . 110 ASP A0 CB 0 11.953651 0.9680266 -2.913539 1 874 1 +ATOM C CG . ASP A0 1 110 . 110 ASP A0 CG 0 12.662157 -0.02342838 -3.826924 1 875 1 +ATOM O OD1 . ASP A0 1 110 . 110 ASP A0 OD1 0 12.075676 -0.44158015 -4.8481135 1 876 1 +ATOM O OD2 . ASP A0 1 110 . 110 ASP A0 OD2 0 13.82692 -0.37182182 -3.5191443 1 877 1 +ATOM N N . PHE A0 1 111 . 111 PHE A0 N 0 10.804835 1.9571884 -5.943013 1 878 1 +ATOM C CA . PHE A0 1 111 . 111 PHE A0 CA 0 11.061378 2.7270627 -7.1585913 1 879 1 +ATOM C C . PHE A0 1 111 . 111 PHE A0 C 0 9.837754 2.6664782 -8.065407 1 880 1 +ATOM O O . PHE A0 1 111 . 111 PHE A0 O 0 9.261414 1.5928426 -8.248008 1 881 1 +ATOM C CB . PHE A0 1 111 . 111 PHE A0 CB 0 12.299521 2.2111547 -7.895114 1 882 1 +ATOM C CG . PHE A0 1 111 . 111 PHE A0 CG 0 13.598305 2.5846868 -7.2335305 1 883 1 +ATOM C CD1 . PHE A0 1 111 . 111 PHE A0 CD1 0 14.209797 1.7139362 -6.3364506 1 884 1 +ATOM C CD2 . PHE A0 1 111 . 111 PHE A0 CD2 0 14.194112 3.8083754 -7.488673 1 885 1 +ATOM C CE1 . PHE A0 1 111 . 111 PHE A0 CE1 0 15.394576 2.0618763 -5.708853 1 886 1 +ATOM C CE2 . PHE A0 1 111 . 111 PHE A0 CE2 0 15.384169 4.1600637 -6.859554 1 887 1 +ATOM C CZ . PHE A0 1 111 . 111 PHE A0 CZ 0 15.982911 3.2814436 -5.9711657 1 888 1 +ATOM N N . TRP A0 1 112 . 112 TRP A0 N 0 9.458332 3.80803 -8.623407 1 889 1 +ATOM C CA . TRP A0 1 112 . 112 TRP A0 CA 0 8.278317 3.9225154 -9.463475 1 890 1 +ATOM C C . TRP A0 1 112 . 112 TRP A0 C 0 8.638223 4.414952 -10.860878 1 891 1 +ATOM O O . TRP A0 1 112 . 112 TRP A0 O 0 9.574108 5.2065945 -11.029712 1 892 1 +ATOM C CB . TRP A0 1 112 . 112 TRP A0 CB 0 7.2705946 4.9095216 -8.854837 1 893 1 +ATOM C CG . TRP A0 1 112 . 112 TRP A0 CG 0 6.676756 4.4851513 -7.551106 1 894 1 +ATOM C CD1 . TRP A0 1 112 . 112 TRP A0 CD1 0 7.326465 4.3254557 -6.360276 1 895 1 +ATOM C CD2 . TRP A0 1 112 . 112 TRP A0 CD2 0 5.299558 4.198279 -7.304891 1 896 1 +ATOM N NE1 . TRP A0 1 112 . 112 TRP A0 NE1 0 6.439652 3.9471502 -5.3869762 1 897 1 +ATOM C CE2 . TRP A0 1 112 . 112 TRP A0 CE2 0 5.1871157 3.858229 -5.938004 1 898 1 +ATOM C CE3 . TRP A0 1 112 . 112 TRP A0 CE3 0 4.1425114 4.1849346 -8.104391 1 899 1 +ATOM C CZ2 . TRP A0 1 112 . 112 TRP A0 CZ2 0 3.9657612 3.5221794 -5.3475313 1 900 1 +ATOM C CZ3 . TRP A0 1 112 . 112 TRP A0 CZ3 0 2.9347582 3.8456645 -7.5276423 1 901 1 +ATOM C CH2 . TRP A0 1 112 . 112 TRP A0 CH2 0 2.8568335 3.5137947 -6.163721 1 902 1 +ATOM N N . GLY A0 1 113 . 113 GLY A0 N 0 7.8618603 3.9515576 -11.853611 1 903 1 +ATOM C CA . GLY A0 1 113 . 113 GLY A0 CA 0 7.993729 4.4848857 -13.203911 1 904 1 +ATOM C C . GLY A0 1 113 . 113 GLY A0 C 0 7.366049 5.866049 -13.252483 1 905 1 +ATOM O O . GLY A0 1 113 . 113 GLY A0 O 0 6.698811 6.2981853 -12.318369 1 906 1 +ATOM N N . GLN A0 1 114 . 114 GLN A0 N 0 7.5598845 6.5658216 -14.37444 1 907 1 +ATOM C CA . GLN A0 1 114 . 114 GLN A0 CA 0 7.049379 7.9273243 -14.501213 1 908 1 +ATOM C C . GLN A0 1 114 . 114 GLN A0 C 0 5.5520635 7.975832 -14.768128 1 909 1 +ATOM O O . GLN A0 1 114 . 114 GLN A0 O 0 4.943219 9.04792 -14.673868 1 910 1 +ATOM C CB . GLN A0 1 114 . 114 GLN A0 CB 0 7.801517 8.678729 -15.6245365 1 911 1 +ATOM C CG . GLN A0 1 114 . 114 GLN A0 CG 0 7.2950253 8.394179 -17.056026 1 912 1 +ATOM C CD . GLN A0 1 114 . 114 GLN A0 CD 0 7.837289 7.119111 -17.671074 1 913 1 +ATOM O OE1 . GLN A0 1 114 . 114 GLN A0 OE1 0 8.427376 6.255244 -16.969383 1 914 1 +ATOM N NE2 . GLN A0 1 114 . 114 GLN A0 NE2 0 7.645149 6.9733243 -18.984226 1 915 1 +ATOM N N . GLY A0 1 115 . 115 GLY A0 N 0 4.9457555 6.8423777 -15.077371 1 916 1 +ATOM C CA . GLY A0 1 115 . 115 GLY A0 CA 0 3.5212386 6.771042 -15.340589 1 917 1 +ATOM C C . GLY A0 1 115 . 115 GLY A0 C 0 3.1878266 6.782851 -16.824533 1 918 1 +ATOM O O . GLY A0 1 115 . 115 GLY A0 O 0 3.9240112 7.353512 -17.632801 1 919 1 +ATOM N N . THR A0 1 116 . 116 THR A0 N 0 2.0800796 6.1265974 -17.182884 1 920 1 +ATOM C CA . THR A0 1 116 . 116 THR A0 CA 0 1.578321 6.1174655 -18.550833 1 921 1 +ATOM C C . THR A0 1 116 . 116 THR A0 C 0 0.11260658 6.5508995 -18.507526 1 922 1 +ATOM O O . THR A0 1 116 . 116 THR A0 O 0 -0.709325 5.9105864 -17.857096 1 923 1 +ATOM C CB . THR A0 1 116 . 116 THR A0 CB 0 1.6725514 4.7190714 -19.189976 1 924 1 +ATOM O OG1 . THR A0 1 116 . 116 THR A0 OG1 0 3.042997 4.320616 -19.291393 1 925 1 +ATOM C CG2 . THR A0 1 116 . 116 THR A0 CG2 0 1.0445187 4.7174196 -20.584871 1 926 1 +ATOM N N . LEU A0 1 117 . 117 LEU A0 N 0 -0.20773941 7.6538615 -19.193369 1 927 1 +ATOM C CA . LEU A0 1 117 . 117 LEU A0 CA 0 -1.5745847 8.140866 -19.246527 1 928 1 +ATOM C C . LEU A0 1 117 . 117 LEU A0 C 0 -2.3299413 7.412843 -20.351894 1 929 1 +ATOM O O . LEU A0 1 117 . 117 LEU A0 O 0 -1.9065233 7.418624 -21.5107 1 930 1 +ATOM C CB . LEU A0 1 117 . 117 LEU A0 CB 0 -1.613884 9.651496 -19.497868 1 931 1 +ATOM C CG . LEU A0 1 117 . 117 LEU A0 CG 0 -3.00985 10.273127 -19.586287 1 932 1 +ATOM C CD1 . LEU A0 1 117 . 117 LEU A0 CD1 0 -2.913961 11.73476 -20.01059 1 933 1 +ATOM C CD2 . LEU A0 1 117 . 117 LEU A0 CD2 0 -3.7648335 10.1255455 -18.270805 1 934 1 +ATOM N N . VAL A0 1 118 . 118 VAL A0 N 0 -3.4417372 6.7701387 -19.980083 1 935 1 +ATOM C CA . VAL A0 1 118 . 118 VAL A0 CA 0 -4.2885113 6.0723286 -20.940872 1 936 1 +ATOM C C . VAL A0 1 118 . 118 VAL A0 C 0 -5.618685 6.8080854 -21.009218 1 937 1 +ATOM O O . VAL A0 1 118 . 118 VAL A0 O 0 -6.3011127 6.9640017 -19.99204 1 938 1 +ATOM C CB . VAL A0 1 118 . 118 VAL A0 CB 0 -4.5159597 4.595976 -20.539558 1 939 1 +ATOM C CG1 . VAL A0 1 118 . 118 VAL A0 CG1 0 -5.518634 3.9364336 -21.484756 1 940 1 +ATOM C CG2 . VAL A0 1 118 . 118 VAL A0 CG2 0 -3.1842077 3.8394294 -20.541824 1 941 1 +ATOM N N . THR A0 1 119 . 119 THR A0 N 0 -5.97976 7.278243 -22.205265 1 942 1 +ATOM C CA . THR A0 1 119 . 119 THR A0 CA 0 -7.2401586 7.972456 -22.422668 1 943 1 +ATOM C C . THR A0 1 119 . 119 THR A0 C 0 -8.103731 7.1153545 -23.34516 1 944 1 +ATOM O O . THR A0 1 119 . 119 THR A0 O 0 -7.6702833 6.748005 -24.440144 1 945 1 +ATOM C CB . THR A0 1 119 . 119 THR A0 CB 0 -7.0210104 9.3624 -23.050068 1 946 1 +ATOM O OG1 . THR A0 1 119 . 119 THR A0 OG1 0 -6.194909 10.151487 -22.18255 1 947 1 +ATOM C CG2 . THR A0 1 119 . 119 THR A0 CG2 0 -8.351423 10.080651 -23.265133 1 948 1 +ATOM N N . VAL A0 1 120 . 120 VAL A0 N 0 -9.302029 6.769161 -22.882414 1 949 1 +ATOM C CA . VAL A0 1 120 . 120 VAL A0 CA 0 -10.210824 5.93924 -23.669525 1 950 1 +ATOM C C . VAL A0 1 120 . 120 VAL A0 C 0 -11.471972 6.740601 -23.966282 1 951 1 +ATOM O O . VAL A0 1 120 . 120 VAL A0 O 0 -12.193371 7.1401296 -23.054504 1 952 1 +ATOM C CB . VAL A0 1 120 . 120 VAL A0 CB 0 -10.576315 4.6300673 -22.934937 1 953 1 +ATOM C CG1 . VAL A0 1 120 . 120 VAL A0 CG1 0 -11.407099 3.73116 -23.840746 1 954 1 +ATOM C CG2 . VAL A0 1 120 . 120 VAL A0 CG2 0 -9.314211 3.908728 -22.465157 1 955 1 +ATOM N N . SER A0 1 121 . 121 SER A0 N 0 -11.728498 6.9726653 -25.23972 1 956 1 +ATOM C CA . SER A0 1 121 . 121 SER A0 CA 0 -12.881264 7.757763 -25.651562 1 957 1 +ATOM C C . SER A0 1 121 . 121 SER A0 C 0 -13.252134 7.429029 -27.09238 1 958 1 +ATOM O O . SER A0 1 121 . 121 SER A0 O 0 -12.382034 7.096658 -27.901634 1 959 1 +ATOM C CB . SER A0 1 121 . 121 SER A0 CB 0 -12.584202 9.25218 -25.516964 1 960 1 +ATOM O OG . SER A0 1 121 . 121 SER A0 OG 0 -13.632109 10.0435505 -26.055687 1 961 1 +ATOM N N . SER A0 1 122 . 122 SER A0 N 0 -14.562677 7.538705 -27.392893 1 962 1 +ATOM C CA . SER A0 1 122 . 122 SER A0 CA 0 -15.021961 7.3301144 -28.766235 1 963 1 +ATOM C C . SER A0 1 122 . 122 SER A0 C 0 -14.810992 8.578002 -29.621597 1 964 1 +ATOM O O . SER A0 1 122 . 122 SER A0 O 0 -15.02443 8.545419 -30.834656 1 965 1 +ATOM C CB . SER A0 1 122 . 122 SER A0 CB 0 -16.508665 6.9451394 -28.776379 1 966 1 +ATOM O OG . SER A0 1 122 . 122 SER A0 OG 0 -17.31031 7.960389 -28.188324 1 967 1 +ATOM N N . ALA A0 1 123 . 123 ALA A0 N 0 -14.39781 9.6805315 -28.972343 1 968 1 +ATOM C CA . ALA A0 1 123 . 123 ALA A0 CA 0 -14.191516 10.938472 -29.677689 1 969 1 +ATOM C C . ALA A0 1 123 . 123 ALA A0 C 0 -12.982803 10.869529 -30.606125 1 970 1 +ATOM O O . ALA A0 1 123 . 123 ALA A0 O 0 -12.027847 10.152988 -30.340624 1 971 1 +ATOM C CB . ALA A0 1 123 . 123 ALA A0 CB 0 -14.023249 12.080305 -28.683907 1 972 1 +ATOM N N . SER A0 1 124 . 124 SER A0 N 0 -13.073669 11.639299 -31.68748 1 973 1 +ATOM C CA . SER A0 1 124 . 124 SER A0 CA 0 -11.960639 11.763071 -32.619164 1 974 1 +ATOM C C . SER A0 1 124 . 124 SER A0 C 0 -11.254426 13.08555 -32.35383 1 975 1 +ATOM O O . SER A0 1 124 . 124 SER A0 O 0 -11.823212 13.996913 -31.744759 1 976 1 +ATOM C CB . SER A0 1 124 . 124 SER A0 CB 0 -12.456187 11.726726 -34.068153 1 977 1 +ATOM O OG . SER A0 1 124 . 124 SER A0 OG 0 -13.091991 10.498601 -34.367207 1 978 1 +ATOM N N . THR A0 1 125 . 125 THR A0 N 0 -10.013134 13.171476 -32.80163 1 979 1 +ATOM C CA . THR A0 1 125 . 125 THR A0 CA 0 -9.243864 14.39951 -32.60974 1 980 1 +ATOM C C . THR A0 1 125 . 125 THR A0 C 0 -10.01529 15.591925 -33.168747 1 981 1 +ATOM O O . THR A0 1 125 . 125 THR A0 O 0 -10.466795 15.566568 -34.316803 1 982 1 +ATOM C CB . THR A0 1 125 . 125 THR A0 CB 0 -7.868708 14.302408 -33.29107 1 983 1 +ATOM O OG1 . THR A0 1 125 . 125 THR A0 OG1 0 -7.132077 13.223433 -32.711304 1 984 1 +ATOM C CG2 . THR A0 1 125 . 125 THR A0 CG2 0 -7.0800247 15.59778 -33.13125 1 985 1 +ATOM N N . LYS A0 1 126 . 126 LYS A0 N 0 -10.17151 16.612907 -32.339443 1 986 1 +ATOM C CA . LYS A0 1 126 . 126 LYS A0 CA 0 -10.934328 17.787025 -32.731762 1 987 1 +ATOM C C . LYS A0 1 126 . 126 LYS A0 C 0 -10.34506 19.035093 -32.0848 1 988 1 +ATOM O O . LYS A0 1 126 . 126 LYS A0 O 0 -10.061396 19.042442 -30.886124 1 989 1 +ATOM C CB . LYS A0 1 126 . 126 LYS A0 CB 0 -12.404037 17.636604 -32.315304 1 990 1 +ATOM C CG . LYS A0 1 126 . 126 LYS A0 CG 0 -13.285405 18.828003 -32.669373 1 991 1 +ATOM C CD . LYS A0 1 126 . 126 LYS A0 CD 0 -14.710947 18.62598 -32.19356 1 992 1 +ATOM C CE . LYS A0 1 126 . 126 LYS A0 CE 0 -15.620367 19.788181 -32.58055 1 993 1 +ATOM N NZ . LYS A0 1 126 . 126 LYS A0 NZ 0 -15.143078 21.066261 -31.995243 1 994 1 +ATOM N N . GLY A0 1 127 . 127 GLY A0 N 0 -10.170134 20.065662 -32.87089 1 995 1 +ATOM C CA . GLY A0 1 127 . 127 GLY A0 CA 0 -9.67691 21.3326 -32.354515 1 996 1 +ATOM C C . GLY A0 1 127 . 127 GLY A0 C 0 -10.770906 22.089668 -31.625206 1 997 1 +ATOM O O . GLY A0 1 127 . 127 GLY A0 O 0 -11.957516 21.88356 -31.887257 1 998 1 +ATOM N N . PRO A0 1 128 . 128 PRO A0 N 0 -10.388763 22.98402 -30.69759 1 999 1 +ATOM C CA . PRO A0 1 128 . 128 PRO A0 CA 0 -11.393244 23.69289 -29.904537 1 1000 1 +ATOM C C . PRO A0 1 128 . 128 PRO A0 C 0 -12.018304 24.881248 -30.620274 1 1001 1 +ATOM O O . PRO A0 1 128 . 128 PRO A0 O 0 -11.429244 25.453455 -31.541636 1 1002 1 +ATOM C CB . PRO A0 1 128 . 128 PRO A0 CB 0 -10.590344 24.182182 -28.691582 1 1003 1 +ATOM C CG . PRO A0 1 128 . 128 PRO A0 CG 0 -9.237669 24.447525 -29.262167 1 1004 1 +ATOM C CD . PRO A0 1 128 . 128 PRO A0 CD 0 -9.008221 23.334194 -30.270924 1 1005 1 +ATOM N N . SER A0 1 129 . 129 SER A0 N 0 -13.220873 25.228634 -30.165125 1 1006 1 +ATOM C CA . SER A0 1 129 . 129 SER A0 CA 0 -13.851259 26.492775 -30.541344 1 1007 1 +ATOM C C . SER A0 1 129 . 129 SER A0 C 0 -13.513981 27.430939 -29.393345 1 1008 1 +ATOM O O . SER A0 1 129 . 129 SER A0 O 0 -13.575367 27.024609 -28.218683 1 1009 1 +ATOM C CB . SER A0 1 129 . 129 SER A0 CB 0 -15.366459 26.342268 -30.663822 1 1010 1 +ATOM O OG . SER A0 1 129 . 129 SER A0 OG 0 -15.710874 25.424673 -31.696407 1 1011 1 +ATOM N N . VAL A0 1 130 . 130 VAL A0 N 0 -13.115402 28.643463 -29.694223 1 1012 1 +ATOM C CA . VAL A0 1 130 . 130 VAL A0 CA 0 -12.716869 29.59839 -28.66635 1 1013 1 +ATOM C C . VAL A0 1 130 . 130 VAL A0 C 0 -13.713615 30.759247 -28.638176 1 1014 1 +ATOM O O . VAL A0 1 130 . 130 VAL A0 O 0 -13.902782 31.450111 -29.645039 1 1015 1 +ATOM C CB . VAL A0 1 130 . 130 VAL A0 CB 0 -11.283953 30.124678 -28.902056 1 1016 1 +ATOM C CG1 . VAL A0 1 130 . 130 VAL A0 CG1 0 -10.868602 31.067593 -27.777346 1 1017 1 +ATOM C CG2 . VAL A0 1 130 . 130 VAL A0 CG2 0 -10.304571 28.955011 -29.00421 1 1018 1 +ATOM N N . PHE A0 1 131 . 131 PHE A0 N 0 -14.344415 30.956718 -27.483047 1 1019 1 +ATOM C CA . PHE A0 1 131 . 131 PHE A0 CA 0 -15.35433 31.997967 -27.31958 1 1020 1 +ATOM C C . PHE A0 1 131 . 131 PHE A0 C 0 -14.92145 33.00064 -26.257122 1 1021 1 +ATOM O O . PHE A0 1 131 . 131 PHE A0 O 0 -14.285258 32.61727 -25.266197 1 1022 1 +ATOM C CB . PHE A0 1 131 . 131 PHE A0 CB 0 -16.707737 31.388695 -26.93006 1 1023 1 +ATOM C CG . PHE A0 1 131 . 131 PHE A0 CG 0 -17.209272 30.355381 -27.90012 1 1024 1 +ATOM C CD1 . PHE A0 1 131 . 131 PHE A0 CD1 0 -17.348066 29.039228 -27.512102 1 1025 1 +ATOM C CD2 . PHE A0 1 131 . 131 PHE A0 CD2 0 -17.538982 30.720198 -29.193031 1 1026 1 +ATOM C CE1 . PHE A0 1 131 . 131 PHE A0 CE1 0 -17.809246 28.087843 -28.4061 1 1027 1 +ATOM C CE2 . PHE A0 1 131 . 131 PHE A0 CE2 0 -17.999065 29.778873 -30.093721 1 1028 1 +ATOM C CZ . PHE A0 1 131 . 131 PHE A0 CZ 0 -18.134565 28.460728 -29.69406 1 1029 1 +ATOM N N . PRO A0 1 132 . 132 PRO A0 N 0 -15.270004 34.27112 -26.434175 1 1030 1 +ATOM C CA . PRO A0 1 132 . 132 PRO A0 CA 0 -14.872747 35.274223 -25.444824 1 1031 1 +ATOM C C . PRO A0 1 132 . 132 PRO A0 C 0 -15.759198 35.259712 -24.211565 1 1032 1 +ATOM O O . PRO A0 1 132 . 132 PRO A0 O 0 -16.9582 34.977093 -24.296452 1 1033 1 +ATOM C CB . PRO A0 1 132 . 132 PRO A0 CB 0 -15.031405 36.605705 -26.206184 1 1034 1 +ATOM C CG . PRO A0 1 132 . 132 PRO A0 CG 0 -16.159626 36.33467 -27.144768 1 1035 1 +ATOM C CD . PRO A0 1 132 . 132 PRO A0 CD 0 -15.967081 34.893536 -27.58138 1 1036 1 +ATOM N N . LEU A0 1 133 . 133 LEU A0 N 0 -15.15074 35.50862 -23.07256 1 1037 1 +ATOM C CA . LEU A0 1 133 . 133 LEU A0 CA 0 -15.85391 35.75413 -21.818691 1 1038 1 +ATOM C C . LEU A0 1 133 . 133 LEU A0 C 0 -15.672761 37.25081 -21.601515 1 1039 1 +ATOM O O . LEU A0 1 133 . 133 LEU A0 O 0 -14.687145 37.69815 -21.018967 1 1040 1 +ATOM C CB . LEU A0 1 133 . 133 LEU A0 CB 0 -15.250281 34.94371 -20.668541 1 1041 1 +ATOM C CG . LEU A0 1 133 . 133 LEU A0 CG 0 -15.354027 33.42628 -20.80538 1 1042 1 +ATOM C CD1 . LEU A0 1 133 . 133 LEU A0 CD1 0 -14.523126 32.726242 -19.739292 1 1043 1 +ATOM C CD2 . LEU A0 1 133 . 133 LEU A0 CD2 0 -16.79646 32.975567 -20.743885 1 1044 1 +ATOM N N . ALA A0 1 134 . 134 ALA A0 N 0 -16.61932 38.034195 -22.15652 1 1045 1 +ATOM C CA . ALA A0 1 134 . 134 ALA A0 CA 0 -16.503973 39.48831 -22.173382 1 1046 1 +ATOM C C . ALA A0 1 134 . 134 ALA A0 C 0 -16.661407 40.11537 -20.792086 1 1047 1 +ATOM O O . ALA A0 1 134 . 134 ALA A0 O 0 -17.508564 39.68882 -20.00874 1 1048 1 +ATOM C CB . ALA A0 1 134 . 134 ALA A0 CB 0 -17.532015 40.085083 -23.136345 1 1049 1 +ATOM N N . PRO A0 1 135 . 135 PRO A0 N 0 -15.849271 41.14575 -20.50286 1 1050 1 +ATOM C CA . PRO A0 1 135 . 135 PRO A0 CA 0 -15.959347 41.817722 -19.208305 1 1051 1 +ATOM C C . PRO A0 1 135 . 135 PRO A0 C 0 -17.28832 42.55764 -19.103397 1 1052 1 +ATOM O O . PRO A0 1 135 . 135 PRO A0 O 0 -17.75644 43.16296 -20.068756 1 1053 1 +ATOM C CB . PRO A0 1 135 . 135 PRO A0 CB 0 -14.773367 42.795746 -19.211609 1 1054 1 +ATOM C CG . PRO A0 1 135 . 135 PRO A0 CG 0 -14.510241 43.05535 -20.654648 1 1055 1 +ATOM C CD . PRO A0 1 135 . 135 PRO A0 CD 0 -14.811165 41.751984 -21.354464 1 1056 1 +ATOM N N . SER A0 1 136 . 136 SER A0 N 0 -17.894863 42.50415 -17.918154 1 1057 1 +ATOM C CA . SER A0 1 136 . 136 SER A0 CA 0 -19.171467 43.15972 -17.68169 1 1058 1 +ATOM C C . SER A0 1 136 . 136 SER A0 C 0 -18.980764 44.664906 -17.519657 1 1059 1 +ATOM O O . SER A0 1 136 . 136 SER A0 O 0 -18.024078 45.098965 -16.868263 1 1060 1 +ATOM C CB . SER A0 1 136 . 136 SER A0 CB 0 -19.843018 42.59385 -16.431234 1 1061 1 +ATOM O OG . SER A0 1 136 . 136 SER A0 OG 0 -21.009161 43.33857 -16.092287 1 1062 1 +ATOM N N . SER A0 1 137 . 137 SER A0 N 0 -19.903847 45.404564 -18.098278 1 1063 1 +ATOM C CA . SER A0 1 137 . 137 SER A0 CA 0 -19.861282 46.857437 -17.956635 1 1064 1 +ATOM C C . SER A0 1 137 . 137 SER A0 C 0 -20.590582 47.309467 -16.698185 1 1065 1 +ATOM O O . SER A0 1 137 . 137 SER A0 O 0 -20.61854 48.50465 -16.393349 1 1066 1 +ATOM C CB . SER A0 1 137 . 137 SER A0 CB 0 -20.507118 47.531025 -19.177269 1 1067 1 +ATOM O OG . SER A0 1 137 . 137 SER A0 OG 0 -21.873655 47.16791 -19.310936 1 1068 1 +ATOM N N . LYS A0 1 138 . 138 LYS A0 N 0 -21.191767 46.360916 -15.984531 1 1069 1 +ATOM C CA . LYS A0 1 138 . 138 LYS A0 CA 0 -21.960876 46.672634 -14.787767 1 1070 1 +ATOM C C . LYS A0 1 138 . 138 LYS A0 C 0 -21.357975 46.106693 -13.505735 1 1071 1 +ATOM O O . LYS A0 1 138 . 138 LYS A0 O 0 -21.971426 46.208603 -12.439398 1 1072 1 +ATOM C CB . LYS A0 1 138 . 138 LYS A0 CB 0 -23.397846 46.166245 -14.939495 1 1073 1 +ATOM C CG . LYS A0 1 138 . 138 LYS A0 CG 0 -24.182386 46.850693 -16.050768 1 1074 1 +ATOM C CD . LYS A0 1 138 . 138 LYS A0 CD 0 -25.605293 46.30162 -16.120903 1 1075 1 +ATOM C CE . LYS A0 1 138 . 138 LYS A0 CE 0 -26.389675 46.63987 -14.855101 1 1076 1 +ATOM N NZ . LYS A0 1 138 . 138 LYS A0 NZ 0 -27.78902 46.155174 -14.93115 1 1077 1 +ATOM N N . SER A0 1 139 . 139 SER A0 N 0 -20.146746 45.47674 -13.609337 1 1078 1 +ATOM C CA . SER A0 1 139 . 139 SER A0 CA 0 -19.552074 44.924362 -12.401386 1 1079 1 +ATOM C C . SER A0 1 139 . 139 SER A0 C 0 -18.05585 45.205994 -12.364632 1 1080 1 +ATOM O O . SER A0 1 139 . 139 SER A0 O 0 -17.362053 45.103935 -13.3720875 1 1081 1 +ATOM C CB . SER A0 1 139 . 139 SER A0 CB 0 -19.791618 43.42195 -12.298859 1 1082 1 +ATOM O OG . SER A0 1 139 . 139 SER A0 OG 0 -19.122059 42.727108 -13.328426 1 1083 1 +ATOM N N . THR A0 1 140 . 140 THR A0 N 0 -17.587011 45.565544 -11.164653 1 1084 1 +ATOM C CA . THR A0 1 140 . 140 THR A0 CA 0 -16.174767 45.797928 -10.898435 1 1085 1 +ATOM C C . THR A0 1 140 . 140 THR A0 C 0 -15.935274 45.56334 -9.41215 1 1086 1 +ATOM O O . THR A0 1 140 . 140 THR A0 O 0 -16.869083 45.65744 -8.600779 1 1087 1 +ATOM C CB . THR A0 1 140 . 140 THR A0 CB 0 -15.753746 47.229523 -11.285614 1 1088 1 +ATOM O OG1 . THR A0 1 140 . 140 THR A0 OG1 0 -14.353668 47.381042 -11.092981 1 1089 1 +ATOM C CG2 . THR A0 1 140 . 140 THR A0 CG2 0 -16.494564 48.264523 -10.445198 1 1090 1 +ATOM N N . SER A0 1 141 . 141 SER A0 N 0 -14.715426 45.250473 -9.062355 1 1091 1 +ATOM C CA . SER A0 1 141 . 141 SER A0 CA 0 -14.3578205 45.02438 -7.6662016 1 1092 1 +ATOM C C . SER A0 1 141 . 141 SER A0 C 0 -13.117614 45.849415 -7.3317747 1 1093 1 +ATOM O O . SER A0 1 141 . 141 SER A0 O 0 -11.99443 45.44457 -7.6229043 1 1094 1 +ATOM C CB . SER A0 1 141 . 141 SER A0 CB 0 -14.085408 43.55307 -7.4126043 1 1095 1 +ATOM O OG . SER A0 1 141 . 141 SER A0 OG 0 -13.721291 43.32232 -6.0506325 1 1096 1 +ATOM N N . GLY A0 1 142 . 142 GLY A0 N 0 -13.353571 47.00779 -6.7523284 1 1097 1 +ATOM C CA . GLY A0 1 142 . 142 GLY A0 CA 0 -12.244728 47.866302 -6.38636 1 1098 1 +ATOM C C . GLY A0 1 142 . 142 GLY A0 C 0 -11.412104 48.305225 -7.5755444 1 1099 1 +ATOM O O . GLY A0 1 142 . 142 GLY A0 O 0 -10.184999 48.359303 -7.486356 1 1100 1 +ATOM N N . GLY A0 1 143 . 143 GLY A0 N 0 -12.069897 48.56885 -8.695424 1 1101 1 +ATOM C CA . GLY A0 1 143 . 143 GLY A0 CA 0 -11.37519 48.989937 -9.899086 1 1102 1 +ATOM C C . GLY A0 1 143 . 143 GLY A0 C 0 -10.833796 47.852562 -10.740765 1 1103 1 +ATOM O O . GLY A0 1 143 . 143 GLY A0 O 0 -10.06072 48.087547 -11.675903 1 1104 1 +ATOM N N . THR A0 1 144 . 144 THR A0 N 0 -11.229803 46.59611 -10.433294 1 1105 1 +ATOM C CA . THR A0 1 144 . 144 THR A0 CA 0 -10.758121 45.41873 -11.166413 1 1106 1 +ATOM C C . THR A0 1 144 . 144 THR A0 C 0 -11.908055 44.764465 -11.922269 1 1107 1 +ATOM O O . THR A0 1 144 . 144 THR A0 O 0 -13.007099 44.62918 -11.393942 1 1108 1 +ATOM C CB . THR A0 1 144 . 144 THR A0 CB 0 -10.117494 44.4086 -10.207502 1 1109 1 +ATOM O OG1 . THR A0 1 144 . 144 THR A0 OG1 0 -8.988335 45.007095 -9.567383 1 1110 1 +ATOM C CG2 . THR A0 1 144 . 144 THR A0 CG2 0 -9.661967 43.155724 -10.9471245 1 1111 1 +ATOM N N . ALA A0 1 145 . 145 ALA A0 N 0 -11.632681 44.33881 -13.164423 1 1112 1 +ATOM C CA . ALA A0 1 145 . 145 ALA A0 CA 0 -12.6209955 43.645844 -13.987011 1 1113 1 +ATOM C C . ALA A0 1 145 . 145 ALA A0 C 0 -12.056707 42.296875 -14.409592 1 1114 1 +ATOM O O . ALA A0 1 145 . 145 ALA A0 O 0 -10.838709 42.12058 -14.490304 1 1115 1 +ATOM C CB . ALA A0 1 145 . 145 ALA A0 CB 0 -12.969493 44.476048 -15.223183 1 1116 1 +ATOM N N . ALA A0 1 146 . 146 ALA A0 N 0 -12.947356 41.32122 -14.660952 1 1117 1 +ATOM C CA . ALA A0 1 146 . 146 ALA A0 CA 0 -12.522882 39.99541 -15.100296 1 1118 1 +ATOM C C . ALA A0 1 146 . 146 ALA A0 C 0 -12.965111 39.754745 -16.538834 1 1119 1 +ATOM O O . ALA A0 1 146 . 146 ALA A0 O 0 -14.0387535 40.193718 -16.95158 1 1120 1 +ATOM C CB . ALA A0 1 146 . 146 ALA A0 CB 0 -13.094503 38.922485 -14.18746 1 1121 1 +ATOM N N . LEU A0 1 147 . 147 LEU A0 N 0 -12.138243 39.04998 -17.301205 1 1122 1 +ATOM C CA . LEU A0 1 147 . 147 LEU A0 CA 0 -12.453852 38.655872 -18.661713 1 1123 1 +ATOM C C . LEU A0 1 147 . 147 LEU A0 C 0 -11.749777 37.32556 -18.93903 1 1124 1 +ATOM O O . LEU A0 1 147 . 147 LEU A0 O 0 -10.884207 36.900787 -18.17324 1 1125 1 +ATOM C CB . LEU A0 1 147 . 147 LEU A0 CB 0 -12.016598 39.724567 -19.676664 1 1126 1 +ATOM C CG . LEU A0 1 147 . 147 LEU A0 CG 0 -10.5403805 40.11807 -19.700386 1 1127 1 +ATOM C CD1 . LEU A0 1 147 . 147 LEU A0 CD1 0 -9.780516 39.33233 -20.764132 1 1128 1 +ATOM C CD2 . LEU A0 1 147 . 147 LEU A0 CD2 0 -10.387673 41.617683 -19.93933 1 1129 1 +ATOM N N . GLY A0 1 148 . 148 GLY A0 N 0 -12.121342 36.66493 -20.029896 1 1130 1 +ATOM C CA . GLY A0 1 148 . 148 GLY A0 CA 0 -11.477146 35.391296 -20.31804 1 1131 1 +ATOM C C . GLY A0 1 148 . 148 GLY A0 C 0 -11.858662 34.80367 -21.66101 1 1132 1 +ATOM O O . GLY A0 1 148 . 148 GLY A0 O 0 -12.444744 35.479248 -22.519762 1 1133 1 +ATOM N N . CYS A0 1 149 . 149 CYS A0 N 0 -11.481146 33.542606 -21.836134 1 1134 1 +ATOM C CA . CYS A0 1 149 . 149 CYS A0 CA 0 -11.7760935 32.78974 -23.05119 1 1135 1 +ATOM C C . CYS A0 1 149 . 149 CYS A0 C 0 -12.2797165 31.401915 -22.673145 1 1136 1 +ATOM O O . CYS A0 1 149 . 149 CYS A0 O 0 -11.713708 30.75569 -21.783772 1 1137 1 +ATOM C CB . CYS A0 1 149 . 149 CYS A0 CB 0 -10.5329075 32.658176 -23.93377 1 1138 1 +ATOM S SG . CYS A0 1 149 . 149 CYS A0 SG 0 -10.130289 34.12996 -24.864916 1 1139 1 +ATOM N N . LEU A0 1 150 . 150 LEU A0 N 0 -13.346622 30.950457 -23.346132 1 1140 1 +ATOM C CA . LEU A0 1 150 . 150 LEU A0 CA 0 -13.88139 29.60837 -23.16132 1 1141 1 +ATOM C C . LEU A0 1 150 . 150 LEU A0 C 0 -13.347403 28.755108 -24.304083 1 1142 1 +ATOM O O . LEU A0 1 150 . 150 LEU A0 O 0 -13.6185055 29.038383 -25.478508 1 1143 1 +ATOM C CB . LEU A0 1 150 . 150 LEU A0 CB 0 -15.413734 29.640476 -23.182713 1 1144 1 +ATOM C CG . LEU A0 1 150 . 150 LEU A0 CG 0 -16.13357 28.291399 -23.150433 1 1145 1 +ATOM C CD1 . LEU A0 1 150 . 150 LEU A0 CD1 0 -17.644175 28.508396 -23.31171 1 1146 1 +ATOM C CD2 . LEU A0 1 150 . 150 LEU A0 CD2 0 -15.826905 27.545288 -21.859745 1 1147 1 +ATOM N N . VAL A0 1 151 . 151 VAL A0 N 0 -12.564966 27.727207 -23.962109 1 1148 1 +ATOM C CA . VAL A0 1 151 . 151 VAL A0 CA 0 -11.952354 26.83888 -24.948605 1 1149 1 +ATOM C C . VAL A0 1 151 . 151 VAL A0 C 0 -12.746652 25.54018 -24.90671 1 1150 1 +ATOM O O . VAL A0 1 151 . 151 VAL A0 O 0 -12.545599 24.694702 -24.031136 1 1151 1 +ATOM C CB . VAL A0 1 151 . 151 VAL A0 CB 0 -10.461364 26.603996 -24.623657 1 1152 1 +ATOM C CG1 . VAL A0 1 151 . 151 VAL A0 CG1 0 -9.799629 25.781569 -25.713127 1 1153 1 +ATOM C CG2 . VAL A0 1 151 . 151 VAL A0 CG2 0 -9.744355 27.944023 -24.44485 1 1154 1 +ATOM N N . LYS A0 1 152 . 152 LYS A0 N 0 -13.663349 25.388714 -25.86264 1 1155 1 +ATOM C CA . LYS A0 1 152 . 152 LYS A0 CA 0 -14.669295 24.344265 -25.785717 1 1156 1 +ATOM C C . LYS A0 1 152 . 152 LYS A0 C 0 -14.589387 23.287884 -26.886766 1 1157 1 +ATOM O O . LYS A0 1 152 . 152 LYS A0 O 0 -14.233952 23.585945 -28.036606 1 1158 1 +ATOM C CB . LYS A0 1 152 . 152 LYS A0 CB 0 -16.068836 24.985111 -25.791973 1 1159 1 +ATOM C CG . LYS A0 1 152 . 152 LYS A0 CG 0 -17.214066 24.018812 -25.532707 1 1160 1 +ATOM C CD . LYS A0 1 152 . 152 LYS A0 CD 0 -18.531693 24.763065 -25.390457 1 1161 1 +ATOM C CE . LYS A0 1 152 . 152 LYS A0 CE 0 -19.723248 23.81595 -25.403683 1 1162 1 +ATOM N NZ . LYS A0 1 152 . 152 LYS A0 NZ 0 -19.697643 22.850975 -24.287144 1 1163 1 +ATOM N N . ASP A0 1 153 . 153 ASP A0 N 0 -14.926008 22.068756 -26.50422 1 1164 1 +ATOM C CA . ASP A0 1 153 . 153 ASP A0 CA 0 -15.120189 20.934467 -27.40801 1 1165 1 +ATOM C C . ASP A0 1 153 . 153 ASP A0 C 0 -13.866461 20.543941 -28.185556 1 1166 1 +ATOM O O . ASP A0 1 153 . 153 ASP A0 O 0 -13.831987 20.593018 -29.41613 1 1167 1 +ATOM C CB . ASP A0 1 153 . 153 ASP A0 CB 0 -16.282444 21.213432 -28.370914 1 1168 1 +ATOM C CG . ASP A0 1 153 . 153 ASP A0 CG 0 -17.619633 21.331715 -27.665943 1 1169 1 +ATOM O OD1 . ASP A0 1 153 . 153 ASP A0 OD1 0 -17.761005 20.761463 -26.563606 1 1170 1 +ATOM O OD2 . ASP A0 1 153 . 153 ASP A0 OD2 0 -18.52852 21.987865 -28.20876 1 1171 1 +ATOM N N . TYR A0 1 154 . 154 TYR A0 N 0 -12.843773 20.080496 -27.457146 1 1172 1 +ATOM C CA . TYR A0 1 154 . 154 TYR A0 CA 0 -11.632216 19.592072 -28.099346 1 1173 1 +ATOM C C . TYR A0 1 154 . 154 TYR A0 C 0 -11.277439 18.203127 -27.579853 1 1174 1 +ATOM O O . TYR A0 1 154 . 154 TYR A0 O 0 -11.772258 17.758844 -26.539448 1 1175 1 +ATOM C CB . TYR A0 1 154 . 154 TYR A0 CB 0 -10.456541 20.557472 -27.890966 1 1176 1 +ATOM C CG . TYR A0 1 154 . 154 TYR A0 CG 0 -10.010438 20.700945 -26.452911 1 1177 1 +ATOM C CD1 . TYR A0 1 154 . 154 TYR A0 CD1 0 -10.5640545 21.679852 -25.62761 1 1178 1 +ATOM C CD2 . TYR A0 1 154 . 154 TYR A0 CD2 0 -9.018684 19.88523 -25.927982 1 1179 1 +ATOM C CE1 . TYR A0 1 154 . 154 TYR A0 CE1 0 -10.147865 21.829548 -24.318481 1 1180 1 +ATOM C CE2 . TYR A0 1 154 . 154 TYR A0 CE2 0 -8.595778 20.028803 -24.61765 1 1181 1 +ATOM C CZ . TYR A0 1 154 . 154 TYR A0 CZ 0 -9.1585045 21.004286 -23.814138 1 1182 1 +ATOM O OH . TYR A0 1 154 . 154 TYR A0 OH 0 -8.74063 21.15305 -22.521515 1 1183 1 +ATOM N N . PHE A0 1 155 . 155 PHE A0 N 0 -10.4364805 17.509527 -28.346012 1 1184 1 +ATOM C CA . PHE A0 1 155 . 155 PHE A0 CA 0 -9.963298 16.172342 -27.965055 1 1185 1 +ATOM C C . PHE A0 1 155 . 155 PHE A0 C 0 -8.71995 15.840338 -28.765514 1 1186 1 +ATOM O O . PHE A0 1 155 . 155 PHE A0 O 0 -8.666345 16.136963 -29.963224 1 1187 1 +ATOM C CB . PHE A0 1 155 . 155 PHE A0 CB 0 -11.052765 15.1262 -28.22071 1 1188 1 +ATOM C CG . PHE A0 1 155 . 155 PHE A0 CG 0 -10.652039 13.750462 -27.774113 1 1189 1 +ATOM C CD1 . PHE A0 1 155 . 155 PHE A0 CD1 0 -10.028449 12.867881 -28.649708 1 1190 1 +ATOM C CD2 . PHE A0 1 155 . 155 PHE A0 CD2 0 -10.867331 13.340179 -26.465958 1 1191 1 +ATOM C CE1 . PHE A0 1 155 . 155 PHE A0 CE1 0 -9.636478 11.605852 -28.228252 1 1192 1 +ATOM C CE2 . PHE A0 1 155 . 155 PHE A0 CE2 0 -10.476031 12.083697 -26.043913 1 1193 1 +ATOM C CZ . PHE A0 1 155 . 155 PHE A0 CZ 0 -9.863646 11.211234 -26.925941 1 1194 1 +ATOM N N . PRO A0 1 156 . 156 PRO A0 N 0 -7.729863 15.220479 -28.145214 1 1195 1 +ATOM C CA . PRO A0 1 156 . 156 PRO A0 CA 0 -7.5922956 14.963793 -26.702562 1 1196 1 +ATOM C C . PRO A0 1 156 . 156 PRO A0 C 0 -6.9089985 16.120861 -25.993822 1 1197 1 +ATOM O O . PRO A0 1 156 . 156 PRO A0 O 0 -6.6999426 17.188135 -26.590595 1 1198 1 +ATOM C CB . PRO A0 1 156 . 156 PRO A0 CB 0 -6.690575 13.719701 -26.69444 1 1199 1 +ATOM C CG . PRO A0 1 156 . 156 PRO A0 CG 0 -5.7540627 13.975929 -27.83376 1 1200 1 +ATOM C CD . PRO A0 1 156 . 156 PRO A0 CD 0 -6.577208 14.66335 -28.894161 1 1201 1 +ATOM N N . GLU A0 1 157 . 157 GLU A0 N 0 -6.6016808 15.929348 -24.734629 1 1202 1 +ATOM C CA . GLU A0 1 157 . 157 GLU A0 CA 0 -5.771841 16.888086 -24.005447 1 1203 1 +ATOM C C . GLU A0 1 157 . 157 GLU A0 C 0 -4.38026 16.866295 -24.609753 1 1204 1 +ATOM O O . GLU A0 1 157 . 157 GLU A0 O 0 -3.9724863 15.862028 -25.216064 1 1205 1 +ATOM C CB . GLU A0 1 157 . 157 GLU A0 CB 0 -5.7011313 16.489965 -22.52451 1 1206 1 +ATOM C CG . GLU A0 1 157 . 157 GLU A0 CG 0 -7.0023856 16.70773 -21.77507 1 1207 1 +ATOM C CD . GLU A0 1 157 . 157 GLU A0 CD 0 -6.939767 17.906025 -20.863884 1 1208 1 +ATOM O OE1 . GLU A0 1 157 . 157 GLU A0 OE1 0 -6.823413 19.035072 -21.376848 1 1209 1 +ATOM O OE2 . GLU A0 1 157 . 157 GLU A0 OE2 0 -7.001758 17.719198 -19.626001 1 1210 1 +ATOM N N . PRO A0 1 158 . 158 PRO A0 N 0 -3.594614 17.925898 -24.497217 1 1211 1 +ATOM C CA . PRO A0 1 158 . 158 PRO A0 CA 0 -3.8851738 19.182697 -23.810097 1 1212 1 +ATOM C C . PRO A0 1 158 . 158 PRO A0 C 0 -4.0574384 20.360565 -24.749207 1 1213 1 +ATOM O O . PRO A0 1 158 . 158 PRO A0 O 0 -3.8223314 20.2378 -25.951374 1 1214 1 +ATOM C CB . PRO A0 1 158 . 158 PRO A0 CB 0 -2.615262 19.40131 -22.96451 1 1215 1 +ATOM C CG . PRO A0 1 158 . 158 PRO A0 CG 0 -1.5252908 18.951395 -23.89288 1 1216 1 +ATOM C CD . PRO A0 1 158 . 158 PRO A0 CD 0 -2.1065767 17.813251 -24.709866 1 1217 1 +ATOM N N . VAL A0 1 159 . 159 VAL A0 N 0 -4.483389 21.478264 -24.178356 1 1218 1 +ATOM C CA . VAL A0 1 159 . 159 VAL A0 CA 0 -4.4308476 22.768461 -24.859661 1 1219 1 +ATOM C C . VAL A0 1 159 . 159 VAL A0 C 0 -3.5871396 23.683687 -23.989925 1 1220 1 +ATOM O O . VAL A0 1 159 . 159 VAL A0 O 0 -3.4941738 23.490406 -22.771059 1 1221 1 +ATOM C CB . VAL A0 1 159 . 159 VAL A0 CB 0 -5.818512 23.42038 -25.067488 1 1222 1 +ATOM C CG1 . VAL A0 1 159 . 159 VAL A0 CG1 0 -6.670321 22.609245 -26.026407 1 1223 1 +ATOM C CG2 . VAL A0 1 159 . 159 VAL A0 CG2 0 -6.5213437 23.63146 -23.737299 1 1224 1 +ATOM N N . THR A0 1 160 . 160 THR A0 N 0 -2.9305015 24.651608 -24.61855 1 1225 1 +ATOM C CA . THR A0 1 160 . 160 THR A0 CA 0 -2.1809697 25.652592 -23.871674 1 1226 1 +ATOM C C . THR A0 1 160 . 160 THR A0 C 0 -2.8075795 27.009644 -24.162802 1 1227 1 +ATOM O O . THR A0 1 160 . 160 THR A0 O 0 -3.2599735 27.266941 -25.287634 1 1228 1 +ATOM C CB . THR A0 1 160 . 160 THR A0 CB 0 -0.6948415 25.679028 -24.260746 1 1229 1 +ATOM O OG1 . THR A0 1 160 . 160 THR A0 OG1 0 -0.5616585 25.93818 -25.660938 1 1230 1 +ATOM C CG2 . THR A0 1 160 . 160 THR A0 CG2 0 -0.032646053 24.351994 -23.92905 1 1231 1 +ATOM N N . VAL A0 1 161 . 161 VAL A0 N 0 -2.8662672 27.865982 -23.145054 1 1232 1 +ATOM C CA . VAL A0 1 161 . 161 VAL A0 CA 0 -3.4419177 29.19528 -23.292807 1 1233 1 +ATOM C C . VAL A0 1 161 . 161 VAL A0 C 0 -2.4804313 30.231129 -22.722061 1 1234 1 +ATOM O O . VAL A0 1 161 . 161 VAL A0 O 0 -1.9800798 30.071575 -21.606396 1 1235 1 +ATOM C CB . VAL A0 1 161 . 161 VAL A0 CB 0 -4.8034906 29.317154 -22.5668 1 1236 1 +ATOM C CG1 . VAL A0 1 161 . 161 VAL A0 CG1 0 -5.4044895 30.703445 -22.804707 1 1237 1 +ATOM C CG2 . VAL A0 1 161 . 161 VAL A0 CG2 0 -5.7711344 28.244356 -23.040512 1 1238 1 +ATOM N N . SER A0 1 162 . 162 SER A0 N 0 -2.2195084 31.269236 -23.487751 1 1239 1 +ATOM C CA . SER A0 1 162 . 162 SER A0 CA 0 -1.4494894 32.41084 -23.011778 1 1240 1 +ATOM C C . SER A0 1 162 . 162 SER A0 C 0 -2.250143 33.667747 -23.299282 1 1241 1 +ATOM O O . SER A0 1 162 . 162 SER A0 O 0 -3.236468 33.627525 -24.04171 1 1242 1 +ATOM C CB . SER A0 1 162 . 162 SER A0 CB 0 -0.07100262 32.47934 -23.68658 1 1243 1 +ATOM O OG . SER A0 1 162 . 162 SER A0 OG 0 -0.19474484 32.725853 -25.077463 1 1244 1 +ATOM N N . TRP A0 1 163 . 163 TRP A0 N 0 -1.8346083 34.77797 -22.70998 1 1245 1 +ATOM C CA . TRP A0 1 163 . 163 TRP A0 CA 0 -2.5061932 36.044662 -22.927711 1 1246 1 +ATOM C C . TRP A0 1 163 . 163 TRP A0 C 0 -1.5185943 37.072838 -23.472582 1 1247 1 +ATOM O O . TRP A0 1 163 . 163 TRP A0 O 0 -0.41038358 37.220665 -22.955667 1 1248 1 +ATOM C CB . TRP A0 1 163 . 163 TRP A0 CB 0 -3.1614509 36.541775 -21.629808 1 1249 1 +ATOM C CG . TRP A0 1 163 . 163 TRP A0 CG 0 -4.4117823 35.79237 -21.299707 1 1250 1 +ATOM C CD1 . TRP A0 1 163 . 163 TRP A0 CD1 0 -4.5087852 34.64195 -20.58256 1 1251 1 +ATOM C CD2 . TRP A0 1 163 . 163 TRP A0 CD2 0 -5.7370505 36.122597 -21.711483 1 1252 1 +ATOM N NE1 . TRP A0 1 163 . 163 TRP A0 NE1 0 -5.8220806 34.233818 -20.521318 1 1253 1 +ATOM C CE2 . TRP A0 1 163 . 163 TRP A0 CE2 0 -6.59287 35.12918 -21.198492 1 1254 1 +ATOM C CE3 . TRP A0 1 163 . 163 TRP A0 CE3 0 -6.293237 37.170662 -22.470371 1 1255 1 +ATOM C CZ2 . TRP A0 1 163 . 163 TRP A0 CZ2 0 -7.966486 35.1457 -21.417568 1 1256 1 +ATOM C CZ3 . TRP A0 1 163 . 163 TRP A0 CZ3 0 -7.652364 37.18643 -22.685156 1 1257 1 +ATOM C CH2 . TRP A0 1 163 . 163 TRP A0 CH2 0 -8.47879 36.18419 -22.162727 1 1258 1 +ATOM N N . ASN A0 1 164 . 164 ASN A0 N 0 -1.9449971 37.765255 -24.519733 1 1259 1 +ATOM C CA . ASN A0 1 164 . 164 ASN A0 CA 0 -1.1152745 38.76909 -25.18431 1 1260 1 +ATOM C C . ASN A0 1 164 . 164 ASN A0 C 0 0.2721262 38.20551 -25.49749 1 1261 1 +ATOM O O . ASN A0 1 164 . 164 ASN A0 O 0 1.296396 38.830887 -25.220888 1 1262 1 +ATOM C CB . ASN A0 1 164 . 164 ASN A0 CB 0 -1.0190619 40.039505 -24.338253 1 1263 1 +ATOM C CG . ASN A0 1 164 . 164 ASN A0 CG 0 -2.3486998 40.76895 -24.259317 1 1264 1 +ATOM O OD1 . ASN A0 1 164 . 164 ASN A0 OD1 0 -3.3082328 40.40392 -24.93897 1 1265 1 +ATOM N ND2 . ASN A0 1 164 . 164 ASN A0 ND2 0 -2.4323807 41.79113 -23.417519 1 1266 1 +ATOM N N . SER A0 1 165 . 165 SER A0 N 0 0.26571354 36.971718 -26.071537 1 1267 1 +ATOM C CA . SER A0 1 165 . 165 SER A0 CA 0 1.4855237 36.281754 -26.492605 1 1268 1 +ATOM C C . SER A0 1 165 . 165 SER A0 C 0 2.4903932 36.119812 -25.35785 1 1269 1 +ATOM O O . SER A0 1 165 . 165 SER A0 O 0 3.6957014 36.107937 -25.580751 1 1270 1 +ATOM C CB . SER A0 1 165 . 165 SER A0 CB 0 2.1341338 37.00836 -27.67294 1 1271 1 +ATOM O OG . SER A0 1 165 . 165 SER A0 OG 0 1.2415543 37.089897 -28.774567 1 1272 1 +ATOM N N . GLY A0 1 166 . 166 GLY A0 N 0 1.9722648 35.97071 -24.13108 1 1273 1 +ATOM C CA . GLY A0 1 166 . 166 GLY A0 CA 0 2.8193479 35.744854 -22.973377 1 1274 1 +ATOM C C . GLY A0 1 166 . 166 GLY A0 C 0 3.1843438 36.990337 -22.199738 1 1275 1 +ATOM O O . GLY A0 1 166 . 166 GLY A0 O 0 3.8023849 36.8926 -21.142073 1 1276 1 +ATOM N N . ALA A0 1 167 . 167 ALA A0 N 0 2.7986898 38.137672 -22.69313 1 1277 1 +ATOM C CA . ALA A0 1 167 . 167 ALA A0 CA 0 3.1279926 39.39436 -22.023998 1 1278 1 +ATOM C C . ALA A0 1 167 . 167 ALA A0 C 0 2.2719145 39.62642 -20.783989 1 1279 1 +ATOM O O . ALA A0 1 167 . 167 ALA A0 O 0 2.6663835 40.38018 -19.891716 1 1280 1 +ATOM C CB . ALA A0 1 167 . 167 ALA A0 CB 0 2.9707246 40.569595 -22.991407 1 1281 1 +ATOM N N . LEU A0 1 168 . 168 LEU A0 N 0 1.0991045 38.983025 -20.742603 1 1282 1 +ATOM C CA . LEU A0 1 168 . 168 LEU A0 CA 0 0.19757709 39.13769 -19.610144 1 1283 1 +ATOM C C . LEU A0 1 168 . 168 LEU A0 C 0 0.13001129 37.828243 -18.82944 1 1284 1 +ATOM O O . LEU A0 1 168 . 168 LEU A0 O 0 -0.3609859 36.81891 -19.341434 1 1285 1 +ATOM C CB . LEU A0 1 168 . 168 LEU A0 CB 0 -1.2058866 39.53808 -20.090363 1 1286 1 +ATOM C CG . LEU A0 1 168 . 168 LEU A0 CG 0 -2.2906957 39.687027 -19.022387 1 1287 1 +ATOM C CD1 . LEU A0 1 168 . 168 LEU A0 CD1 0 -3.6091828 40.09666 -19.673649 1 1288 1 +ATOM C CD2 . LEU A0 1 168 . 168 LEU A0 CD2 0 -1.8802111 40.67562 -17.946749 1 1289 1 +ATOM N N . THR A0 1 169 . 169 THR A0 N 0 0.6491686 37.82544 -17.61811 1 1290 1 +ATOM C CA . THR A0 1 169 . 169 THR A0 CA 0 0.6440489 36.63598 -16.77695 1 1291 1 +ATOM C C . THR A0 1 169 . 169 THR A0 C 0 0.031118542 36.902016 -15.404425 1 1292 1 +ATOM O O . THR A0 1 169 . 169 THR A0 O 0 -0.52794826 35.989487 -14.799337 1 1293 1 +ATOM C CB . THR A0 1 169 . 169 THR A0 CB 0 2.0665176 36.075554 -16.585564 1 1294 1 +ATOM O OG1 . THR A0 1 169 . 169 THR A0 OG1 0 2.9013658 37.08403 -16.010082 1 1295 1 +ATOM C CG2 . THR A0 1 169 . 169 THR A0 CG2 0 2.6595466 35.632603 -17.918842 1 1296 1 +ATOM N N . SER A0 1 170 . 170 SER A0 N 0 0.12515855 38.119736 -14.927183 1 1297 1 +ATOM C CA . SER A0 1 170 . 170 SER A0 CA 0 -0.40444434 38.4682 -13.614602 1 1298 1 +ATOM C C . SER A0 1 170 . 170 SER A0 C 0 -1.9282489 38.40426 -13.615607 1 1299 1 +ATOM O O . SER A0 1 170 . 170 SER A0 O 0 -2.5759714 38.954185 -14.506069 1 1300 1 +ATOM C CB . SER A0 1 170 . 170 SER A0 CB 0 0.06275855 39.868927 -13.210083 1 1301 1 +ATOM O OG . SER A0 1 170 . 170 SER A0 OG 0 -0.4404886 40.23103 -11.9411125 1 1302 1 +ATOM N N . GLY A0 1 171 . 171 GLY A0 N 0 -2.4958603 37.721203 -12.63617 1 1303 1 +ATOM C CA . GLY A0 1 171 . 171 GLY A0 CA 0 -3.9310482 37.612186 -12.499769 1 1304 1 +ATOM C C . GLY A0 1 171 . 171 GLY A0 C 0 -4.5733423 36.575188 -13.399675 1 1305 1 +ATOM O O . GLY A0 1 171 . 171 GLY A0 O 0 -5.801941 36.49035 -13.446008 1 1306 1 +ATOM N N . VAL A0 1 172 . 172 VAL A0 N 0 -3.763873 35.775063 -14.10065 1 1307 1 +ATOM C CA . VAL A0 1 172 . 172 VAL A0 CA 0 -4.284169 34.760815 -15.012585 1 1308 1 +ATOM C C . VAL A0 1 172 . 172 VAL A0 C 0 -4.571081 33.451702 -14.281338 1 1309 1 +ATOM O O . VAL A0 1 172 . 172 VAL A0 O 0 -3.7566047 32.997276 -13.471747 1 1310 1 +ATOM C CB . VAL A0 1 172 . 172 VAL A0 CB 0 -3.303165 34.49828 -16.179243 1 1311 1 +ATOM C CG1 . VAL A0 1 172 . 172 VAL A0 CG1 0 -3.7782087 33.31974 -17.024809 1 1312 1 +ATOM C CG2 . VAL A0 1 172 . 172 VAL A0 CG2 0 -3.1525292 35.744232 -17.03768 1 1313 1 +ATOM N N . HIS A0 1 173 . 173 HIS A0 N 0 -5.722869 32.85263 -14.562645 1 1314 1 +ATOM C CA . HIS A0 1 173 . 173 HIS A0 CA 0 -6.0551577 31.5168 -14.07957 1 1315 1 +ATOM C C . HIS A0 1 173 . 173 HIS A0 C 0 -6.560869 30.696789 -15.257257 1 1316 1 +ATOM O O . HIS A0 1 173 . 173 HIS A0 O 0 -7.603709 31.01904 -15.8339815 1 1317 1 +ATOM C CB . HIS A0 1 173 . 173 HIS A0 CB 0 -7.15228 31.557514 -12.999421 1 1318 1 +ATOM C CG . HIS A0 1 173 . 173 HIS A0 CG 0 -6.726283 32.19211 -11.713818 1 1319 1 +ATOM N ND1 . HIS A0 1 173 . 173 HIS A0 ND1 0 -5.689677 31.688372 -10.948298 1 1320 1 +ATOM C CD2 . HIS A0 1 173 . 173 HIS A0 CD2 0 -7.2016315 33.264908 -11.056831 1 1321 1 +ATOM C CE1 . HIS A0 1 173 . 173 HIS A0 CE1 0 -5.5418234 32.440125 -9.88183 1 1322 1 +ATOM N NE2 . HIS A0 1 173 . 173 HIS A0 NE2 0 -6.4425254 33.410027 -9.918053 1 1323 1 +ATOM N N . THR A0 1 174 . 174 THR A0 N 0 -5.819787 29.651669 -15.603889 1 1324 1 +ATOM C CA . THR A0 1 174 . 174 THR A0 CA 0 -6.2754183 28.723543 -16.634718 1 1325 1 +ATOM C C . THR A0 1 174 . 174 THR A0 C 0 -6.6926765 27.447216 -15.9093075 1 1326 1 +ATOM O O . THR A0 1 174 . 174 THR A0 O 0 -5.8626575 26.770378 -15.301408 1 1327 1 +ATOM C CB . THR A0 1 174 . 174 THR A0 CB 0 -5.1692886 28.448452 -17.66835 1 1328 1 +ATOM O OG1 . THR A0 1 174 . 174 THR A0 OG1 0 -4.8500214 29.67649 -18.3438 1 1329 1 +ATOM C CG2 . THR A0 1 174 . 174 THR A0 CG2 0 -5.63789 27.426903 -18.69622 1 1330 1 +ATOM N N . PHE A0 1 175 . 175 PHE A0 N 0 -7.978034 27.141342 -15.959484 1 1331 1 +ATOM C CA . PHE A0 1 175 . 175 PHE A0 CA 0 -8.536904 26.038353 -15.187774 1 1332 1 +ATOM C C . PHE A0 1 175 . 175 PHE A0 C 0 -8.2551565 24.67467 -15.806139 1 1333 1 +ATOM O O . PHE A0 1 175 . 175 PHE A0 O 0 -8.093847 24.552332 -17.02444 1 1334 1 +ATOM C CB . PHE A0 1 175 . 175 PHE A0 CB 0 -10.051962 26.216446 -15.036266 1 1335 1 +ATOM C CG . PHE A0 1 175 . 175 PHE A0 CG 0 -10.42938 27.382267 -14.17623 1 1336 1 +ATOM C CD1 . PHE A0 1 175 . 175 PHE A0 CD1 0 -10.627893 28.638798 -14.728128 1 1337 1 +ATOM C CD2 . PHE A0 1 175 . 175 PHE A0 CD2 0 -10.568165 27.217804 -12.810207 1 1338 1 +ATOM C CE1 . PHE A0 1 175 . 175 PHE A0 CE1 0 -10.950344 29.718288 -13.922213 1 1339 1 +ATOM C CE2 . PHE A0 1 175 . 175 PHE A0 CE2 0 -10.890097 28.288668 -11.998719 1 1340 1 +ATOM C CZ . PHE A0 1 175 . 175 PHE A0 CZ 0 -11.084387 29.545807 -12.560356 1 1341 1 +ATOM N N . PRO A0 1 176 . 176 PRO A0 N 0 -8.183226 23.625721 -14.9419365 1 1342 1 +ATOM C CA . PRO A0 1 176 . 176 PRO A0 CA 0 -8.0454445 22.264118 -15.468351 1 1343 1 +ATOM C C . PRO A0 1 176 . 176 PRO A0 C 0 -9.243478 21.945019 -16.360111 1 1344 1 +ATOM O O . PRO A0 1 176 . 176 PRO A0 O 0 -10.368748 22.382824 -16.083786 1 1345 1 +ATOM C CB . PRO A0 1 176 . 176 PRO A0 CB 0 -8.049871 21.395996 -14.207211 1 1346 1 +ATOM C CG . PRO A0 1 176 . 176 PRO A0 CG 0 -7.5805025 22.317608 -13.11795 1 1347 1 +ATOM C CD . PRO A0 1 176 . 176 PRO A0 CD 0 -8.17198 23.651752 -13.476095 1 1348 1 +ATOM N N . ALA A0 1 177 . 177 ALA A0 N 0 -8.993391 21.205025 -17.429295 1 1349 1 +ATOM C CA . ALA A0 1 177 . 177 ALA A0 CA 0 -10.06666 20.840992 -18.345825 1 1350 1 +ATOM C C . ALA A0 1 177 . 177 ALA A0 C 0 -11.047022 19.880898 -17.68105 1 1351 1 +ATOM O O . ALA A0 1 177 . 177 ALA A0 O 0 -10.677698 19.121992 -16.788055 1 1352 1 +ATOM C CB . ALA A0 1 177 . 177 ALA A0 CB 0 -9.488796 20.208078 -19.609207 1 1353 1 +ATOM N N . VAL A0 1 178 . 178 VAL A0 N 0 -12.297768 19.91901 -18.11509 1 1354 1 +ATOM C CA . VAL A0 1 178 . 178 VAL A0 CA 0 -13.305721 18.97457 -17.655874 1 1355 1 +ATOM C C . VAL A0 1 178 . 178 VAL A0 C 0 -13.773672 18.166685 -18.861599 1 1356 1 +ATOM O O . VAL A0 1 178 . 178 VAL A0 O 0 -13.841244 18.67739 -19.984613 1 1357 1 +ATOM C CB . VAL A0 1 178 . 178 VAL A0 CB 0 -14.512755 19.671337 -16.98508 1 1358 1 +ATOM C CG1 . VAL A0 1 178 . 178 VAL A0 CG1 0 -14.062464 20.42129 -15.732939 1 1359 1 +ATOM C CG2 . VAL A0 1 178 . 178 VAL A0 CG2 0 -15.223587 20.602762 -17.958078 1 1360 1 +ATOM N N . LEU A0 1 179 . 179 LEU A0 N 0 -14.060129 16.877655 -18.624851 1 1361 1 +ATOM C CA . LEU A0 1 179 . 179 LEU A0 CA 0 -14.555992 16.004541 -19.684013 1 1362 1 +ATOM C C . LEU A0 1 179 . 179 LEU A0 C 0 -16.080473 16.087257 -19.70186 1 1363 1 +ATOM O O . LEU A0 1 179 . 179 LEU A0 O 0 -16.740837 15.726096 -18.724876 1 1364 1 +ATOM C CB . LEU A0 1 179 . 179 LEU A0 CB 0 -14.105723 14.563723 -19.458832 1 1365 1 +ATOM C CG . LEU A0 1 179 . 179 LEU A0 CG 0 -14.534344 13.547453 -20.513554 1 1366 1 +ATOM C CD1 . LEU A0 1 179 . 179 LEU A0 CD1 0 -14.1188545 12.14706 -20.098713 1 1367 1 +ATOM C CD2 . LEU A0 1 179 . 179 LEU A0 CD2 0 -13.929455 13.909971 -21.877811 1 1368 1 +ATOM N N . GLN A0 1 180 . 180 GLN A0 N 0 -16.632563 16.54391 -20.81167 1 1369 1 +ATOM C CA . GLN A0 1 180 . 180 GLN A0 CA 0 -18.077415 16.69564 -20.949898 1 1370 1 +ATOM C C . GLN A0 1 180 . 180 GLN A0 C 0 -18.720583 15.367046 -21.327633 1 1371 1 +ATOM O O . GLN A0 1 180 . 180 GLN A0 O 0 -18.04522 14.421448 -21.742205 1 1372 1 +ATOM C CB . GLN A0 1 180 . 180 GLN A0 CB 0 -18.39496 17.747614 -22.013752 1 1373 1 +ATOM C CG . GLN A0 1 180 . 180 GLN A0 CG 0 -17.787783 19.105621 -21.72527 1 1374 1 +ATOM C CD . GLN A0 1 180 . 180 GLN A0 CD 0 -17.940716 20.065716 -22.883968 1 1375 1 +ATOM O OE1 . GLN A0 1 180 . 180 GLN A0 OE1 0 -18.858484 20.882778 -22.901213 1 1376 1 +ATOM N NE2 . GLN A0 1 180 . 180 GLN A0 NE2 0 -17.053635 19.951496 -23.864511 1 1377 1 +ATOM N N . SER A0 1 181 . 181 SER A0 N 0 -20.0525 15.27453 -21.164532 1 1378 1 +ATOM C CA . SER A0 1 181 . 181 SER A0 CA 0 -20.780783 14.048903 -21.496914 1 1379 1 +ATOM C C . SER A0 1 181 . 181 SER A0 C 0 -20.631718 13.680552 -22.970896 1 1380 1 +ATOM O O . SER A0 1 181 . 181 SER A0 O 0 -20.794817 12.513998 -23.336582 1 1381 1 +ATOM C CB . SER A0 1 181 . 181 SER A0 CB 0 -22.262486 14.202726 -21.148117 1 1382 1 +ATOM O OG . SER A0 1 181 . 181 SER A0 OG 0 -22.435116 14.399581 -19.754179 1 1383 1 +ATOM N N . SER A0 1 182 . 182 SER A0 N 0 -20.31423 14.666698 -23.795439 1 1384 1 +ATOM C CA . SER A0 1 182 . 182 SER A0 CA 0 -20.107494 14.442337 -25.227776 1 1385 1 +ATOM C C . SER A0 1 182 . 182 SER A0 C 0 -18.814548 13.696292 -25.51449 1 1386 1 +ATOM O O . SER A0 1 182 . 182 SER A0 O 0 -18.63255 13.177784 -26.62201 1 1387 1 +ATOM C CB . SER A0 1 182 . 182 SER A0 CB 0 -20.087814 15.781602 -25.969929 1 1388 1 +ATOM O OG . SER A0 1 182 . 182 SER A0 OG 0 -18.99688 16.571629 -25.537365 1 1389 1 +ATOM N N . GLY A0 1 183 . 183 GLY A0 N 0 -17.924389 13.628219 -24.527458 1 1390 1 +ATOM C CA . GLY A0 1 183 . 183 GLY A0 CA 0 -16.626637 13.000256 -24.709808 1 1391 1 +ATOM C C . GLY A0 1 183 . 183 GLY A0 C 0 -15.5448065 13.97888 -25.112364 1 1392 1 +ATOM O O . GLY A0 1 183 . 183 GLY A0 O 0 -14.394644 13.584 -25.32162 1 1393 1 +ATOM N N . LEU A0 1 184 . 184 LEU A0 N 0 -15.909791 15.2622795 -25.2112 1 1394 1 +ATOM C CA . LEU A0 1 184 . 184 LEU A0 CA 0 -14.962561 16.311737 -25.556892 1 1395 1 +ATOM C C . LEU A0 1 184 . 184 LEU A0 C 0 -14.607992 17.123276 -24.31776 1 1396 1 +ATOM O O . LEU A0 1 184 . 184 LEU A0 O 0 -15.381551 17.183588 -23.360249 1 1397 1 +ATOM C CB . LEU A0 1 184 . 184 LEU A0 CB 0 -15.549491 17.233353 -26.634357 1 1398 1 +ATOM C CG . LEU A0 1 184 . 184 LEU A0 CG 0 -15.992109 16.558151 -27.934753 1 1399 1 +ATOM C CD1 . LEU A0 1 184 . 184 LEU A0 CD1 0 -16.714947 17.557657 -28.833172 1 1400 1 +ATOM C CD2 . LEU A0 1 184 . 184 LEU A0 CD2 0 -14.794661 15.956028 -28.653894 1 1401 1 +ATOM N N . TYR A0 1 185 . 185 TYR A0 N 0 -13.431585 17.743813 -24.329628 1 1402 1 +ATOM C CA . TYR A0 1 185 . 185 TYR A0 CA 0 -12.968525 18.537487 -23.200096 1 1403 1 +ATOM C C . TYR A0 1 185 . 185 TYR A0 C 0 -13.332131 20.004658 -23.355791 1 1404 1 +ATOM O O . TYR A0 1 185 . 185 TYR A0 O 0 -13.580069 20.488098 -24.467043 1 1405 1 +ATOM C CB . TYR A0 1 185 . 185 TYR A0 CB 0 -11.447979 18.412712 -23.040884 1 1406 1 +ATOM C CG . TYR A0 1 185 . 185 TYR A0 CG 0 -10.986677 17.036636 -22.632978 1 1407 1 +ATOM C CD1 . TYR A0 1 185 . 185 TYR A0 CD1 0 -10.545814 16.120237 -23.578377 1 1408 1 +ATOM C CD2 . TYR A0 1 185 . 185 TYR A0 CD2 0 -10.966709 16.664265 -21.298738 1 1409 1 +ATOM C CE1 . TYR A0 1 185 . 185 TYR A0 CE1 0 -10.108229 14.8600235 -23.210258 1 1410 1 +ATOM C CE2 . TYR A0 1 185 . 185 TYR A0 CE2 0 -10.526518 15.401665 -20.914774 1 1411 1 +ATOM C CZ . TYR A0 1 185 . 185 TYR A0 CZ 0 -10.099221 14.509732 -21.879358 1 1412 1 +ATOM O OH . TYR A0 1 185 . 185 TYR A0 OH 0 -9.665666 13.2670765 -21.510876 1 1413 1 +ATOM N N . SER A0 1 186 . 186 SER A0 N 0 -13.349579 20.702953 -22.238909 1 1414 1 +ATOM C CA . SER A0 1 186 . 186 SER A0 CA 0 -13.618529 22.136124 -22.221725 1 1415 1 +ATOM C C . SER A0 1 186 . 186 SER A0 C 0 -12.8849945 22.762196 -21.045229 1 1416 1 +ATOM O O . SER A0 1 186 . 186 SER A0 O 0 -12.786619 22.15926 -19.975796 1 1417 1 +ATOM C CB . SER A0 1 186 . 186 SER A0 CB 0 -15.123114 22.40514 -22.100817 1 1418 1 +ATOM O OG . SER A0 1 186 . 186 SER A0 OG 0 -15.404699 23.800854 -22.066992 1 1419 1 +ATOM N N . LEU A0 1 187 . 187 LEU A0 N 0 -12.380869 23.967411 -21.231087 1 1420 1 +ATOM C CA . LEU A0 1 187 . 187 LEU A0 CA 0 -11.772206 24.714489 -20.137537 1 1421 1 +ATOM C C . LEU A0 1 187 . 187 LEU A0 C 0 -11.9403515 26.205082 -20.372091 1 1422 1 +ATOM O O . LEU A0 1 187 . 187 LEU A0 O 0 -12.267037 26.638437 -21.474043 1 1423 1 +ATOM C CB . LEU A0 1 187 . 187 LEU A0 CB 0 -10.295305 24.360954 -19.948708 1 1424 1 +ATOM C CG . LEU A0 1 187 . 187 LEU A0 CG 0 -9.227786 24.76218 -20.9623 1 1425 1 +ATOM C CD1 . LEU A0 1 187 . 187 LEU A0 CD1 0 -7.9507933 23.983236 -20.668602 1 1426 1 +ATOM C CD2 . LEU A0 1 187 . 187 LEU A0 CD2 0 -8.914557 26.265526 -20.976353 1 1427 1 +ATOM N N . SER A0 1 188 . 188 SER A0 N 0 -11.730734 26.97921 -19.318726 1 1428 1 +ATOM C CA . SER A0 1 188 . 188 SER A0 CA 0 -11.758272 28.43208 -19.417725 1 1429 1 +ATOM C C . SER A0 1 188 . 188 SER A0 C 0 -10.456554 29.000286 -18.877926 1 1430 1 +ATOM O O . SER A0 1 188 . 188 SER A0 O 0 -9.832844 28.418663 -17.986694 1 1431 1 +ATOM C CB . SER A0 1 188 . 188 SER A0 CB 0 -12.932016 29.024813 -18.633392 1 1432 1 +ATOM O OG . SER A0 1 188 . 188 SER A0 OG 0 -14.156824 28.836872 -19.313354 1 1433 1 +ATOM N N . SER A0 1 189 . 189 SER A0 N 0 -10.037802 30.110203 -19.45052 1 1434 1 +ATOM C CA . SER A0 1 189 . 189 SER A0 CA 0 -8.878874 30.851889 -18.963032 1 1435 1 +ATOM C C . SER A0 1 189 . 189 SER A0 C 0 -9.369253 32.26796 -18.682865 1 1436 1 +ATOM O O . SER A0 1 189 . 189 SER A0 O 0 -9.998329 32.88668 -19.543854 1 1437 1 +ATOM C CB . SER A0 1 189 . 189 SER A0 CB 0 -7.748913 30.871075 -19.993755 1 1438 1 +ATOM O OG . SER A0 1 189 . 189 SER A0 OG 0 -6.6210833 31.59746 -19.506723 1 1439 1 +ATOM N N . VAL A0 1 190 . 190 VAL A0 N 0 -9.1024475 32.741245 -17.470882 1 1440 1 +ATOM C CA . VAL A0 1 190 . 190 VAL A0 CA 0 -9.570147 34.075443 -17.094067 1 1441 1 +ATOM C C . VAL A0 1 190 . 190 VAL A0 C 0 -8.408758 34.933746 -16.613083 1 1442 1 +ATOM O O . VAL A0 1 190 . 190 VAL A0 O 0 -7.3431435 34.423126 -16.263943 1 1443 1 +ATOM C CB . VAL A0 1 190 . 190 VAL A0 CB 0 -10.6520195 34.020897 -15.990311 1 1444 1 +ATOM C CG1 . VAL A0 1 190 . 190 VAL A0 CG1 0 -11.86253 33.219185 -16.459652 1 1445 1 +ATOM C CG2 . VAL A0 1 190 . 190 VAL A0 CG2 0 -10.07609 33.432076 -14.70376 1 1446 1 +ATOM N N . VAL A0 1 191 . 191 VAL A0 N 0 -8.626347 36.254475 -16.618282 1 1447 1 +ATOM C CA . VAL A0 1 191 . 191 VAL A0 CA 0 -7.615013 37.18255 -16.12167 1 1448 1 +ATOM C C . VAL A0 1 191 . 191 VAL A0 C 0 -8.334971 38.40232 -15.550239 1 1449 1 +ATOM O O . VAL A0 1 191 . 191 VAL A0 O 0 -9.371248 38.82306 -16.071682 1 1450 1 +ATOM C CB . VAL A0 1 191 . 191 VAL A0 CB 0 -6.6240973 37.601387 -17.23925 1 1451 1 +ATOM C CG1 . VAL A0 1 191 . 191 VAL A0 CG1 0 -5.5206327 38.496723 -16.668629 1 1452 1 +ATOM C CG2 . VAL A0 1 191 . 191 VAL A0 CG2 0 -7.3416777 38.28624 -18.394053 1 1453 1 +ATOM N N . THR A0 1 192 . 192 THR A0 N 0 -7.7900796 38.939377 -14.451516 1 1454 1 +ATOM C CA . THR A0 1 192 . 192 THR A0 CA 0 -8.340852 40.162758 -13.876801 1 1455 1 +ATOM C C . THR A0 1 192 . 192 THR A0 C 0 -7.4234104 41.31852 -14.27434 1 1456 1 +ATOM O O . THR A0 1 192 . 192 THR A0 O 0 -6.1904736 41.19715 -14.237635 1 1457 1 +ATOM C CB . THR A0 1 192 . 192 THR A0 CB 0 -8.462526 40.085907 -12.3380375 1 1458 1 +ATOM O OG1 . THR A0 1 192 . 192 THR A0 OG1 0 -7.22017 39.65522 -11.782501 1 1459 1 +ATOM C CG2 . THR A0 1 192 . 192 THR A0 CG2 0 -9.5689125 39.12587 -11.937662 1 1460 1 +ATOM N N . VAL A0 1 193 . 193 VAL A0 N 0 -8.032331 42.440758 -14.670845 1 1461 1 +ATOM C CA . VAL A0 1 193 . 193 VAL A0 CA 0 -7.3013773 43.608887 -15.157049 1 1462 1 +ATOM C C . VAL A0 1 193 . 193 VAL A0 C 0 -7.927648 44.879883 -14.586003 1 1463 1 +ATOM O O . VAL A0 1 193 . 193 VAL A0 O 0 -9.047901 44.855553 -14.076732 1 1464 1 +ATOM C CB . VAL A0 1 193 . 193 VAL A0 CB 0 -7.321692 43.684265 -16.705132 1 1465 1 +ATOM C CG1 . VAL A0 1 193 . 193 VAL A0 CG1 0 -6.6816516 42.440384 -17.321356 1 1466 1 +ATOM C CG2 . VAL A0 1 193 . 193 VAL A0 CG2 0 -8.751921 43.856155 -17.206314 1 1467 1 +ATOM N N . PRO A0 1 194 . 194 PRO A0 N 0 -7.1976967 46.00753 -14.6491 1 1468 1 +ATOM C CA . PRO A0 1 194 . 194 PRO A0 CA 0 -7.7934766 47.26316 -14.189932 1 1469 1 +ATOM C C . PRO A0 1 194 . 194 PRO A0 C 0 -9.007841 47.606247 -15.056805 1 1470 1 +ATOM O O . PRO A0 1 194 . 194 PRO A0 O 0 -8.933559 47.53641 -16.286282 1 1471 1 +ATOM C CB . PRO A0 1 194 . 194 PRO A0 CB 0 -6.668786 48.297127 -14.375034 1 1472 1 +ATOM C CG . PRO A0 1 194 . 194 PRO A0 CG 0 -5.4072914 47.492863 -14.359303 1 1473 1 +ATOM C CD . PRO A0 1 194 . 194 PRO A0 CD 0 -5.779874 46.20249 -15.026157 1 1474 1 +ATOM N N . SER A0 1 195 . 195 SER A0 N 0 -10.117242 47.94596 -14.414782 1 1475 1 +ATOM C CA . SER A0 1 195 . 195 SER A0 CA 0 -11.320415 48.275932 -15.169618 1 1476 1 +ATOM C C . SER A0 1 195 . 195 SER A0 C 0 -11.107657 49.50826 -16.04317 1 1477 1 +ATOM O O . SER A0 1 195 . 195 SER A0 O 0 -11.758841 49.665855 -17.080135 1 1478 1 +ATOM C CB . SER A0 1 195 . 195 SER A0 CB 0 -12.503983 48.50574 -14.215826 1 1479 1 +ATOM O OG . SER A0 1 195 . 195 SER A0 OG 0 -12.237339 49.540077 -13.296043 1 1480 1 +ATOM N N . SER A0 1 196 . 196 SER A0 N 0 -10.183528 50.374184 -15.651749 1 1481 1 +ATOM C CA . SER A0 1 196 . 196 SER A0 CA 0 -9.889166 51.579533 -16.421894 1 1482 1 +ATOM C C . SER A0 1 196 . 196 SER A0 C 0 -9.189572 51.267426 -17.740585 1 1483 1 +ATOM O O . SER A0 1 196 . 196 SER A0 O 0 -9.143773 52.11955 -18.635479 1 1484 1 +ATOM C CB . SER A0 1 196 . 196 SER A0 CB 0 -9.027979 52.54009 -15.596943 1 1485 1 +ATOM O OG . SER A0 1 196 . 196 SER A0 OG 0 -7.796275 51.942825 -15.2435875 1 1486 1 +ATOM N N . SER A0 1 197 . 197 SER A0 N 0 -8.645457 50.037746 -17.871296 1 1487 1 +ATOM C CA . SER A0 1 197 . 197 SER A0 CA 0 -7.9388423 49.655025 -19.093616 1 1488 1 +ATOM C C . SER A0 1 197 . 197 SER A0 C 0 -8.888085 49.1397 -20.168034 1 1489 1 +ATOM O O . SER A0 1 197 . 197 SER A0 O 0 -8.486223 49.022083 -21.331455 1 1490 1 +ATOM C CB . SER A0 1 197 . 197 SER A0 CB 0 -6.8842945 48.59926 -18.785423 1 1491 1 +ATOM O OG . SER A0 1 197 . 197 SER A0 OG 0 -7.484461 47.357407 -18.471504 1 1492 1 +ATOM N N . LEU A0 1 198 . 198 LEU A0 N 0 -10.132143 48.831753 -19.794413 1 1493 1 +ATOM C CA . LEU A0 1 198 . 198 LEU A0 CA 0 -11.095526 48.326523 -20.761675 1 1494 1 +ATOM C C . LEU A0 1 198 . 198 LEU A0 C 0 -11.402565 49.41218 -21.804567 1 1495 1 +ATOM O O . LEU A0 1 198 . 198 LEU A0 O 0 -11.761663 50.536373 -21.46127 1 1496 1 +ATOM C CB . LEU A0 1 198 . 198 LEU A0 CB 0 -12.393347 47.903606 -20.061329 1 1497 1 +ATOM C CG . LEU A0 1 198 . 198 LEU A0 CG 0 -12.262462 46.75293 -19.049137 1 1498 1 +ATOM C CD1 . LEU A0 1 198 . 198 LEU A0 CD1 0 -13.613349 46.473366 -18.41576 1 1499 1 +ATOM C CD2 . LEU A0 1 198 . 198 LEU A0 CD2 0 -11.690212 45.519997 -19.693182 1 1500 1 +ATOM N N . GLY A0 1 199 . 199 GLY A0 N 0 -11.257637 49.090187 -23.057453 1 1501 1 +ATOM C CA . GLY A0 1 199 . 199 GLY A0 CA 0 -11.486176 50.024902 -24.135273 1 1502 1 +ATOM C C . GLY A0 1 199 . 199 GLY A0 C 0 -10.224812 50.69252 -24.650436 1 1503 1 +ATOM O O . GLY A0 1 199 . 199 GLY A0 O 0 -10.223768 51.2648 -25.749273 1 1504 1 +ATOM N N . THR A0 1 200 . 200 THR A0 N 0 -9.128597 50.610203 -23.874157 1 1505 1 +ATOM C CA . THR A0 1 200 . 200 THR A0 CA 0 -7.864396 51.203224 -24.294472 1 1506 1 +ATOM C C . THR A0 1 200 . 200 THR A0 C 0 -6.7787566 50.154133 -24.48327 1 1507 1 +ATOM O O . THR A0 1 200 . 200 THR A0 O 0 -5.9262104 50.296154 -25.358578 1 1508 1 +ATOM C CB . THR A0 1 200 . 200 THR A0 CB 0 -7.377245 52.25788 -23.284542 1 1509 1 +ATOM O OG1 . THR A0 1 200 . 200 THR A0 OG1 0 -7.2635155 51.669952 -21.997002 1 1510 1 +ATOM C CG2 . THR A0 1 200 . 200 THR A0 CG2 0 -8.348795 53.431477 -23.21875 1 1511 1 +ATOM N N . GLN A0 1 201 . 201 GLN A0 N 0 -6.8030434 49.103683 -23.679052 1 1512 1 +ATOM C CA . GLN A0 1 201 . 201 GLN A0 CA 0 -5.8269353 48.01667 -23.778215 1 1513 1 +ATOM C C . GLN A0 1 201 . 201 GLN A0 C 0 -6.450879 46.834877 -24.507912 1 1514 1 +ATOM O O . GLN A0 1 201 . 201 GLN A0 O 0 -7.5987515 46.46814 -24.234325 1 1515 1 +ATOM C CB . GLN A0 1 201 . 201 GLN A0 CB 0 -5.356474 47.589108 -22.38128 1 1516 1 +ATOM C CG . GLN A0 1 201 . 201 GLN A0 CG 0 -4.419822 46.385094 -22.381931 1 1517 1 +ATOM C CD . GLN A0 1 201 . 201 GLN A0 CD 0 -3.0912006 46.668472 -23.038914 1 1518 1 +ATOM O OE1 . GLN A0 1 201 . 201 GLN A0 OE1 0 -2.431333 47.64386 -22.711037 1 1519 1 +ATOM N NE2 . GLN A0 1 201 . 201 GLN A0 NE2 0 -2.701668 45.831528 -23.999712 1 1520 1 +ATOM N N . THR A0 1 202 . 202 THR A0 N 0 -5.699369 46.214684 -25.41262 1 1521 1 +ATOM C CA . THR A0 1 202 . 202 THR A0 CA 0 -6.171583 45.052956 -26.1561 1 1522 1 +ATOM C C . THR A0 1 202 . 202 THR A0 C 0 -5.8326125 43.780556 -25.400408 1 1523 1 +ATOM O O . THR A0 1 202 . 202 THR A0 O 0 -4.6918974 43.590065 -24.969429 1 1524 1 +ATOM C CB . THR A0 1 202 . 202 THR A0 CB 0 -5.547125 45.008488 -27.559422 1 1525 1 +ATOM O OG1 . THR A0 1 202 . 202 THR A0 OG1 0 -5.943513 46.17637 -28.288403 1 1526 1 +ATOM C CG2 . THR A0 1 202 . 202 THR A0 CG2 0 -5.9922266 43.766487 -28.312948 1 1527 1 +ATOM N N . TYR A0 1 203 . 203 TYR A0 N 0 -6.818638 42.880947 -25.23063 1 1528 1 +ATOM C CA . TYR A0 1 203 . 203 TYR A0 CA 0 -6.6172915 41.60442 -24.566372 1 1529 1 +ATOM C C . TYR A0 1 203 . 203 TYR A0 C 0 -6.9276524 40.477417 -25.539951 1 1530 1 +ATOM O O . TYR A0 1 203 . 203 TYR A0 O 0 -8.039873 40.38195 -26.059784 1 1531 1 +ATOM C CB . TYR A0 1 203 . 203 TYR A0 CB 0 -7.4876566 41.498512 -23.308693 1 1532 1 +ATOM C CG . TYR A0 1 203 . 203 TYR A0 CG 0 -7.1019764 42.515755 -22.253483 1 1533 1 +ATOM C CD1 . TYR A0 1 203 . 203 TYR A0 CD1 0 -7.8918447 43.62636 -22.000778 1 1534 1 +ATOM C CD2 . TYR A0 1 203 . 203 TYR A0 CD2 0 -5.932489 42.353725 -21.525482 1 1535 1 +ATOM C CE1 . TYR A0 1 203 . 203 TYR A0 CE1 0 -7.52588 44.559746 -21.04596 1 1536 1 +ATOM C CE2 . TYR A0 1 203 . 203 TYR A0 CE2 0 -5.5564103 43.285233 -20.569817 1 1537 1 +ATOM C CZ . TYR A0 1 203 . 203 TYR A0 CZ 0 -6.3559313 44.38581 -20.33434 1 1538 1 +ATOM O OH . TYR A0 1 203 . 203 TYR A0 OH 0 -5.988162 45.308235 -19.398243 1 1539 1 +ATOM N N . ILE A0 1 204 . 204 ILE A0 N 0 -5.9183073 39.617165 -25.77994 1 1540 1 +ATOM C CA . ILE A0 1 204 . 204 ILE A0 CA 0 -6.0433846 38.503593 -26.718338 1 1541 1 +ATOM C C . ILE A0 1 204 . 204 ILE A0 C 0 -5.5956917 37.213715 -26.04724 1 1542 1 +ATOM O O . ILE A0 1 204 . 204 ILE A0 O 0 -4.4994097 37.151875 -25.48433 1 1543 1 +ATOM C CB . ILE A0 1 204 . 204 ILE A0 CB 0 -5.1976647 38.748924 -27.983864 1 1544 1 +ATOM C CG1 . ILE A0 1 204 . 204 ILE A0 CG1 0 -5.6634016 40.018402 -28.709034 1 1545 1 +ATOM C CG2 . ILE A0 1 204 . 204 ILE A0 CG2 0 -5.268317 37.53958 -28.923801 1 1546 1 +ATOM C CD1 . ILE A0 1 204 . 204 ILE A0 CD1 0 -4.762722 40.442345 -29.866344 1 1547 1 +ATOM N N . CYS A0 1 205 . 205 CYS A0 N 0 -6.473491 36.15811 -26.089363 1 1548 1 +ATOM C CA . CYS A0 1 205 . 205 CYS A0 CA 0 -6.054684 34.856377 -25.577667 1 1549 1 +ATOM C C . CYS A0 1 205 . 205 CYS A0 C 0 -5.5184507 34.056866 -26.756355 1 1550 1 +ATOM O O . CYS A0 1 205 . 205 CYS A0 O 0 -6.110387 34.04477 -27.842243 1 1551 1 +ATOM C CB . CYS A0 1 205 . 205 CYS A0 CB 0 -7.1904407 34.122917 -24.871843 1 1552 1 +ATOM S SG . CYS A0 1 205 . 205 CYS A0 SG 0 -8.536209 33.584103 -25.914804 1 1553 1 +ATOM N N . ASN A0 1 206 . 206 ASN A0 N 0 -4.3580904 33.410072 -26.545013 1 1554 1 +ATOM C CA . ASN A0 1 206 . 206 ASN A0 CA 0 -3.697712 32.615517 -27.57874 1 1555 1 +ATOM C C . ASN A0 1 206 . 206 ASN A0 C 0 -3.85572 31.144512 -27.21346 1 1556 1 +ATOM O O . ASN A0 1 206 . 206 ASN A0 O 0 -3.3052049 30.693697 -26.203905 1 1557 1 +ATOM C CB . ASN A0 1 206 . 206 ASN A0 CB 0 -2.2101383 32.9804 -27.679134 1 1558 1 +ATOM C CG . ASN A0 1 206 . 206 ASN A0 CG 0 -1.97083 34.46911 -27.551804 1 1559 1 +ATOM O OD1 . ASN A0 1 206 . 206 ASN A0 OD1 0 -1.4898098 34.936516 -26.504658 1 1560 1 +ATOM N ND2 . ASN A0 1 206 . 206 ASN A0 ND2 0 -2.2996616 35.22667 -28.576073 1 1561 1 +ATOM N N . VAL A0 1 207 . 207 VAL A0 N 0 -4.6217527 30.40714 -28.025385 1 1562 1 +ATOM C CA . VAL A0 1 207 . 207 VAL A0 CA 0 -4.9330087 29.009874 -27.747335 1 1563 1 +ATOM C C . VAL A0 1 207 . 207 VAL A0 C 0 -4.2175756 28.102657 -28.748375 1 1564 1 +ATOM O O . VAL A0 1 207 . 207 VAL A0 O 0 -4.286025 28.325974 -29.956816 1 1565 1 +ATOM C CB . VAL A0 1 207 . 207 VAL A0 CB 0 -6.4579124 28.765503 -27.80309 1 1566 1 +ATOM C CG1 . VAL A0 1 207 . 207 VAL A0 CG1 0 -6.778963 27.306824 -27.531023 1 1567 1 +ATOM C CG2 . VAL A0 1 207 . 207 VAL A0 CG2 0 -7.1763725 29.673418 -26.8054 1 1568 1 +ATOM N N . ASN A0 1 208 . 208 ASN A0 N 0 -3.5488284 27.061394 -28.218655 1 1569 1 +ATOM C CA . ASN A0 1 208 . 208 ASN A0 CA 0 -2.8225882 26.119366 -29.06324 1 1570 1 +ATOM C C . ASN A0 1 208 . 208 ASN A0 C 0 -3.2322726 24.693026 -28.70191 1 1571 1 +ATOM O O . ASN A0 1 208 . 208 ASN A0 O 0 -3.1184223 24.280718 -27.551514 1 1572 1 +ATOM C CB . ASN A0 1 208 . 208 ASN A0 CB 0 -1.3106124 26.299467 -28.877102 1 1573 1 +ATOM C CG . ASN A0 1 208 . 208 ASN A0 CG 0 -0.49773857 25.592667 -29.937592 1 1574 1 +ATOM O OD1 . ASN A0 1 208 . 208 ASN A0 OD1 0 -1.0352682 24.880592 -30.786842 1 1575 1 +ATOM N ND2 . ASN A0 1 208 . 208 ASN A0 ND2 0 0.80708694 25.791992 -29.915485 1 1576 1 +ATOM N N . HIS A0 1 209 . 209 HIS A0 N 0 -3.711588 23.948399 -29.703114 1 1577 1 +ATOM C CA . HIS A0 1 209 . 209 HIS A0 CA 0 -4.07562 22.534843 -29.540386 1 1578 1 +ATOM C C . HIS A0 1 209 . 209 HIS A0 C 0 -3.2768257 21.742172 -30.57063 1 1579 1 +ATOM O O . HIS A0 1 209 . 209 HIS A0 O 0 -3.6963322 21.607151 -31.730232 1 1580 1 +ATOM C CB . HIS A0 1 209 . 209 HIS A0 CB 0 -5.581777 22.331947 -29.741741 1 1581 1 +ATOM C CG . HIS A0 1 209 . 209 HIS A0 CG 0 -6.0256033 20.917955 -29.510366 1 1582 1 +ATOM N ND1 . HIS A0 1 209 . 209 HIS A0 ND1 0 -6.657946 20.168139 -30.472486 1 1583 1 +ATOM C CD2 . HIS A0 1 209 . 209 HIS A0 CD2 0 -5.939542 20.12707 -28.418062 1 1584 1 +ATOM C CE1 . HIS A0 1 209 . 209 HIS A0 CE1 0 -6.9314833 18.97491 -29.982302 1 1585 1 +ATOM N NE2 . HIS A0 1 209 . 209 HIS A0 NE2 0 -6.505125 18.921186 -28.728317 1 1586 1 +ATOM N N . LYS A0 1 210 . 210 LYS A0 N 0 -2.120928 21.274656 -30.144451 1 1587 1 +ATOM C CA . LYS A0 1 210 . 210 LYS A0 CA 0 -1.1950829 20.602266 -31.047894 1 1588 1 +ATOM C C . LYS A0 1 210 . 210 LYS A0 C 0 -1.748767 19.33174 -31.691174 1 1589 1 +ATOM O O . LYS A0 1 210 . 210 LYS A0 O 0 -1.4581323 19.079182 -32.867874 1 1590 1 +ATOM C CB . LYS A0 1 210 . 210 LYS A0 CB 0 0.124677226 20.305536 -30.327686 1 1591 1 +ATOM C CG . LYS A0 1 210 . 210 LYS A0 CG 0 0.9354098 21.554672 -30.020647 1 1592 1 +ATOM C CD . LYS A0 1 210 . 210 LYS A0 CD 0 2.306188 21.203878 -29.453375 1 1593 1 +ATOM C CE . LYS A0 1 210 . 210 LYS A0 CE 0 3.130212 22.465704 -29.214886 1 1594 1 +ATOM N NZ . LYS A0 1 210 . 210 LYS A0 NZ 0 4.4755964 22.137333 -28.693712 1 1595 1 +ATOM N N . PRO A0 1 211 . 211 PRO A0 N 0 -2.5370412 18.481861 -30.966957 1 1596 1 +ATOM C CA . PRO A0 1 211 . 211 PRO A0 CA 0 -3.0475366 17.263165 -31.604017 1 1597 1 +ATOM C C . PRO A0 1 211 . 211 PRO A0 C 0 -3.8468635 17.525005 -32.876095 1 1598 1 +ATOM O O . PRO A0 1 211 . 211 PRO A0 O 0 -3.8827388 16.660378 -33.758835 1 1599 1 +ATOM C CB . PRO A0 1 211 . 211 PRO A0 CB 0 -3.922657 16.63745 -30.514107 1 1600 1 +ATOM C CG . PRO A0 1 211 . 211 PRO A0 CG 0 -3.2923737 17.093182 -29.238297 1 1601 1 +ATOM C CD . PRO A0 1 211 . 211 PRO A0 CD 0 -2.8626397 18.511793 -29.520077 1 1602 1 +ATOM N N . SER A0 1 212 . 212 SER A0 N 0 -4.4943237 18.690514 -32.99452 1 1603 1 +ATOM C CA . SER A0 1 212 . 212 SER A0 CA 0 -5.263329 19.026808 -34.187073 1 1604 1 +ATOM C C . SER A0 1 212 . 212 SER A0 C 0 -4.6197815 20.13895 -35.007736 1 1605 1 +ATOM O O . SER A0 1 212 . 212 SER A0 O 0 -5.210021 20.59702 -35.990067 1 1606 1 +ATOM C CB . SER A0 1 212 . 212 SER A0 CB 0 -6.690646 19.456062 -33.79889 1 1607 1 +ATOM O OG . SER A0 1 212 . 212 SER A0 OG 0 -6.6771936 20.683432 -33.0846 1 1608 1 +ATOM N N . ASN A0 1 213 . 213 ASN A0 N 0 -3.4285827 20.557281 -34.611855 1 1609 1 +ATOM C CA . ASN A0 1 213 . 213 ASN A0 CA 0 -2.7223086 21.658241 -35.26581 1 1610 1 +ATOM C C . ASN A0 1 213 . 213 ASN A0 C 0 -3.5913908 22.908754 -35.339455 1 1611 1 +ATOM O O . ASN A0 1 213 . 213 ASN A0 O 0 -3.6359937 23.596178 -36.36985 1 1612 1 +ATOM C CB . ASN A0 1 213 . 213 ASN A0 CB 0 -2.2665143 21.25402 -36.67419 1 1613 1 +ATOM C CG . ASN A0 1 213 . 213 ASN A0 CG 0 -1.1604793 20.227694 -36.64122 1 1614 1 +ATOM O OD1 . ASN A0 1 213 . 213 ASN A0 OD1 0 -0.17619525 20.391302 -35.92199 1 1615 1 +ATOM N ND2 . ASN A0 1 213 . 213 ASN A0 ND2 0 -1.3177019 19.15897 -37.420094 1 1616 1 +ATOM N N . THR A0 1 214 . 214 THR A0 N 0 -4.301818 23.197155 -34.24386 1 1617 1 +ATOM C CA . THR A0 1 214 . 214 THR A0 CA 0 -5.189706 24.35162 -34.17608 1 1618 1 +ATOM C C . THR A0 1 214 . 214 THR A0 C 0 -4.5747786 25.451653 -33.32204 1 1619 1 +ATOM O O . THR A0 1 214 . 214 THR A0 O 0 -4.1966896 25.211906 -32.174213 1 1620 1 +ATOM C CB . THR A0 1 214 . 214 THR A0 CB 0 -6.558716 23.968422 -33.588688 1 1621 1 +ATOM O OG1 . THR A0 1 214 . 214 THR A0 OG1 0 -7.1545014 22.950579 -34.391403 1 1622 1 +ATOM C CG2 . THR A0 1 214 . 214 THR A0 CG2 0 -7.489036 25.174637 -33.539886 1 1623 1 +ATOM N N . LYS A0 1 215 . 215 LYS A0 N 0 -4.470816 26.626068 -33.892265 1 1624 1 +ATOM C CA . LYS A0 1 215 . 215 LYS A0 CA 0 -3.9996912 27.809105 -33.181625 1 1625 1 +ATOM C C . LYS A0 1 215 . 215 LYS A0 C 0 -5.0192466 28.917074 -33.384666 1 1626 1 +ATOM O O . LYS A0 1 215 . 215 LYS A0 O 0 -5.386384 29.217754 -34.527794 1 1627 1 +ATOM C CB . LYS A0 1 215 . 215 LYS A0 CB 0 -2.6241794 28.259138 -33.68016 1 1628 1 +ATOM C CG . LYS A0 1 215 . 215 LYS A0 CG 0 -1.5163143 27.266748 -33.381477 1 1629 1 +ATOM C CD . LYS A0 1 215 . 215 LYS A0 CD 0 -0.16972116 27.798492 -33.865204 1 1630 1 +ATOM C CE . LYS A0 1 215 . 215 LYS A0 CE 0 0.93144226 26.78895 -33.58746 1 1631 1 +ATOM N NZ . LYS A0 1 215 . 215 LYS A0 NZ 0 2.247746 27.285343 -34.04857 1 1632 1 +ATOM N N . VAL A0 1 216 . 216 VAL A0 N 0 -5.4901314 29.496267 -32.280827 1 1633 1 +ATOM C CA . VAL A0 1 216 . 216 VAL A0 CA 0 -6.5091295 30.54054 -32.349003 1 1634 1 +ATOM C C . VAL A0 1 216 . 216 VAL A0 C 0 -6.108595 31.721033 -31.477016 1 1635 1 +ATOM O O . VAL A0 1 216 . 216 VAL A0 O 0 -5.670799 31.534523 -30.33652 1 1636 1 +ATOM C CB . VAL A0 1 216 . 216 VAL A0 CB 0 -7.8894773 30.014406 -31.882645 1 1637 1 +ATOM C CG1 . VAL A0 1 216 . 216 VAL A0 CG1 0 -8.931135 31.14161 -31.895487 1 1638 1 +ATOM C CG2 . VAL A0 1 216 . 216 VAL A0 CG2 0 -8.345421 28.86391 -32.756813 1 1639 1 +ATOM N N . ASP A0 1 217 . 217 ASP A0 N 0 -6.2355075 32.915253 -32.007027 1 1640 1 +ATOM C CA . ASP A0 1 217 . 217 ASP A0 CA 0 -6.0484467 34.142 -31.246319 1 1641 1 +ATOM C C . ASP A0 1 217 . 217 ASP A0 C 0 -7.4056845 34.82693 -31.166325 1 1642 1 +ATOM O O . ASP A0 1 217 . 217 ASP A0 O 0 -8.001724 35.144432 -32.201435 1 1643 1 +ATOM C CB . ASP A0 1 217 . 217 ASP A0 CB 0 -5.0353165 35.081337 -31.928387 1 1644 1 +ATOM C CG . ASP A0 1 217 . 217 ASP A0 CG 0 -3.645301 34.474777 -31.974964 1 1645 1 +ATOM O OD1 . ASP A0 1 217 . 217 ASP A0 OD1 0 -2.971977 34.61873 -33.021706 1 1646 1 +ATOM O OD2 . ASP A0 1 217 . 217 ASP A0 OD2 0 -3.2273426 33.869095 -30.969856 1 1647 1 +ATOM N N . LYS A0 1 218 . 218 LYS A0 N 0 -7.9009094 35.023834 -29.960308 1 1648 1 +ATOM C CA . LYS A0 1 218 . 218 LYS A0 CA 0 -9.231701 35.58847 -29.770775 1 1649 1 +ATOM C C . LYS A0 1 218 . 218 LYS A0 C 0 -9.17058 36.890152 -28.994457 1 1650 1 +ATOM O O . LYS A0 1 218 . 218 LYS A0 O 0 -8.709869 36.919174 -27.853659 1 1651 1 +ATOM C CB . LYS A0 1 218 . 218 LYS A0 CB 0 -10.141823 34.603363 -29.048124 1 1652 1 +ATOM C CG . LYS A0 1 218 . 218 LYS A0 CG 0 -11.613312 35.00996 -29.052563 1 1653 1 +ATOM C CD . LYS A0 1 218 . 218 LYS A0 CD 0 -12.185838 34.88215 -30.455687 1 1654 1 +ATOM C CE . LYS A0 1 218 . 218 LYS A0 CE 0 -13.671902 35.21936 -30.485352 1 1655 1 +ATOM N NZ . LYS A0 1 218 . 218 LYS A0 NZ 0 -14.231102 35.00164 -31.83291 1 1656 1 +ATOM N N . ARG A0 1 219 . 219 ARG A0 N 0 -9.656768 37.964607 -29.617466 1 1657 1 +ATOM C CA . ARG A0 1 219 . 219 ARG A0 CA 0 -9.715853 39.258686 -28.955606 1 1658 1 +ATOM C C . ARG A0 1 219 . 219 ARG A0 C 0 -10.925847 39.283966 -28.032635 1 1659 1 +ATOM O O . ARG A0 1 219 . 219 ARG A0 O 0 -12.024673 38.88472 -28.442566 1 1660 1 +ATOM C CB . ARG A0 1 219 . 219 ARG A0 CB 0 -9.807659 40.40293 -29.980793 1 1661 1 +ATOM C CG . ARG A0 1 219 . 219 ARG A0 CG 0 -9.873113 41.792984 -29.353285 1 1662 1 +ATOM C CD . ARG A0 1 219 . 219 ARG A0 CD 0 -10.113663 42.878532 -30.415222 1 1663 1 +ATOM N NE . ARG A0 1 219 . 219 ARG A0 NE 0 -9.041372 42.932816 -31.420149 1 1664 1 +ATOM C CZ . ARG A0 1 219 . 219 ARG A0 CZ 0 -7.986014 43.72385 -31.325338 1 1665 1 +ATOM N NH1 . ARG A0 1 219 . 219 ARG A0 NH1 0 -7.050066 43.690536 -32.270584 1 1666 1 +ATOM N NH2 . ARG A0 1 219 . 219 ARG A0 NH2 0 -7.865737 44.555397 -30.292233 1 1667 1 +ATOM N N . VAL A0 1 220 . 220 VAL A0 N 0 -10.720579 39.742744 -26.810822 1 1668 1 +ATOM C CA . VAL A0 1 220 . 220 VAL A0 CA 0 -11.814114 39.830994 -25.844986 1 1669 1 +ATOM C C . VAL A0 1 220 . 220 VAL A0 C 0 -12.010617 41.298508 -25.476261 1 1670 1 +ATOM O O . VAL A0 1 220 . 220 VAL A0 O 0 -11.099277 41.93056 -24.950024 1 1671 1 +ATOM C CB . VAL A0 1 220 . 220 VAL A0 CB 0 -11.500198 38.997143 -24.584494 1 1672 1 +ATOM C CG1 . VAL A0 1 220 . 220 VAL A0 CG1 0 -11.18494 37.533127 -24.948147 1 1673 1 +ATOM C CG2 . VAL A0 1 220 . 220 VAL A0 CG2 0 -12.723593 38.95655 -23.661118 1 1674 1 +ATOM N N . GLU A0 1 221 . 221 GLU A0 N 0 -13.205839 41.82499 -25.76315 1 1675 1 +ATOM C CA . GLU A0 1 221 . 221 GLU A0 CA 0 -13.474844 43.23083 -25.489231 1 1676 1 +ATOM C C . GLU A0 1 221 . 221 GLU A0 C 0 -14.878958 43.42269 -24.928188 1 1677 1 +ATOM O O . GLU A0 1 221 . 221 GLU A0 O 0 -15.73699 42.545345 -25.079357 1 1678 1 +ATOM C CB . GLU A0 1 221 . 221 GLU A0 CB 0 -13.290688 44.069477 -26.762434 1 1679 1 +ATOM C CG . GLU A0 1 221 . 221 GLU A0 CG 0 -14.050217 43.571106 -27.967918 1 1680 1 +ATOM C CD . GLU A0 1 221 . 221 GLU A0 CD 0 -13.594736 44.21705 -29.25087 1 1681 1 +ATOM O OE1 . GLU A0 1 221 . 221 GLU A0 OE1 0 -12.697448 45.08149 -29.216389 1 1682 1 +ATOM O OE2 . GLU A0 1 221 . 221 GLU A0 OE2 0 -14.123214 43.85804 -30.321579 1 1683 1 +ATOM N N . PRO A0 1 222 . 222 PRO A0 N 0 -15.140338 44.5862 -24.28961 1 1684 1 +ATOM C CA . PRO A0 1 222 . 222 PRO A0 CA 0 -16.451097 44.831146 -23.691784 1 1685 1 +ATOM C C . PRO A0 1 222 . 222 PRO A0 C 0 -17.55132 44.876915 -24.75232 1 1686 1 +ATOM O O . PRO A0 1 222 . 222 PRO A0 O 0 -17.297369 45.21695 -25.91021 1 1687 1 +ATOM C CB . PRO A0 1 222 . 222 PRO A0 CB 0 -16.28487 46.203377 -23.009132 1 1688 1 +ATOM C CG . PRO A0 1 222 . 222 PRO A0 CG 0 -14.81657 46.352707 -22.80612 1 1689 1 +ATOM C CD . PRO A0 1 222 . 222 PRO A0 CD 0 -14.190582 45.661648 -23.987152 1 1690 1 +ATOM N N . LYS A0 1 223 . 223 LYS A0 N 0 -18.755703 44.568916 -24.344778 1 1691 1 +ATOM C CA . LYS A0 1 223 . 223 LYS A0 CA 0 -19.90775 44.58023 -25.237228 1 1692 1 +ATOM C C . LYS A0 1 223 . 223 LYS A0 C 0 -20.280361 46.027847 -25.596096 1 1693 1 +ATOM O O . LYS A0 1 223 . 223 LYS A0 O 0 -20.245071 46.90371 -24.733822 1 1694 1 +ATOM C CB . LYS A0 1 223 . 223 LYS A0 CB 0 -21.10949 43.88797 -24.573132 1 1695 1 +ATOM C CG . LYS A0 1 223 . 223 LYS A0 CG 0 -22.355553 43.805573 -25.454254 1 1696 1 +ATOM C CD . LYS A0 1 223 . 223 LYS A0 CD 0 -23.47774 43.06756 -24.709045 1 1697 1 +ATOM C CE . LYS A0 1 223 . 223 LYS A0 CE 0 -24.705454 42.93821 -25.613647 1 1698 1 +ATOM N NZ . LYS A0 1 223 . 223 LYS A0 NZ 0 -25.799778 42.251293 -24.932327 1 1699 1 +ATOM O OXT . LYS A0 1 223 . 223 LYS A0 OXT 0 -20.678284 46.34675 -26.74624 1 1700 1 +ATOM N N . GLN B0 2 1 . 1 GLN B0 N 0 -8.697565 -3.7283704 4.5674353 1 1701 1 +ATOM C CA . GLN B0 2 1 . 1 GLN B0 CA 0 -8.706586 -2.3983579 3.9697952 1 1702 1 +ATOM C C . GLN B0 2 1 . 1 GLN B0 C 0 -8.087089 -1.3678337 4.9078865 1 1703 1 +ATOM O O . GLN B0 2 1 . 1 GLN B0 O 0 -7.9098577 -1.6270759 6.0961037 1 1704 1 +ATOM C CB . GLN B0 2 1 . 1 GLN B0 CB 0 -10.143131 -1.9929082 3.6140873 1 1705 1 +ATOM C CG . GLN B0 2 1 . 1 GLN B0 CG 0 -11.063837 -1.900856 4.8051915 1 1706 1 +ATOM C CD . GLN B0 2 1 . 1 GLN B0 CD 0 -12.50471 -1.5869604 4.4340243 1 1707 1 +ATOM O OE1 . GLN B0 2 1 . 1 GLN B0 OE1 0 -13.384294 -1.5826156 5.2959795 1 1708 1 +ATOM N NE2 . GLN B0 2 1 . 1 GLN B0 NE2 0 -12.78443 -1.3011255 3.1779537 1 1709 1 +ATOM N N . LEU B0 2 2 . 2 LEU B0 N 0 -7.737829 -0.20211655 4.3631763 1 1710 1 +ATOM C CA . LEU B0 2 2 . 2 LEU B0 CA 0 -7.1243906 0.86348605 5.136034 1 1711 1 +ATOM C C . LEU B0 2 2 . 2 LEU B0 C 0 -8.011489 2.1006217 5.14173 1 1712 1 +ATOM O O . LEU B0 2 2 . 2 LEU B0 O 0 -8.537216 2.4921885 4.1048203 1 1713 1 +ATOM C CB . LEU B0 2 2 . 2 LEU B0 CB 0 -5.754646 1.2326512 4.560979 1 1714 1 +ATOM C CG . LEU B0 2 2 . 2 LEU B0 CG 0 -4.6660624 0.1632123 4.567107 1 1715 1 +ATOM C CD1 . LEU B0 2 2 . 2 LEU B0 CD1 0 -3.414685 0.70445496 3.8891768 1 1716 1 +ATOM C CD2 . LEU B0 2 2 . 2 LEU B0 CD2 0 -4.353445 -0.3032233 5.9686584 1 1717 1 +ATOM N N . THR B0 2 3 . 3 THR B0 N 0 -8.147665 2.7125492 6.307613 1 1718 1 +ATOM C CA . THR B0 2 3 . 3 THR B0 CA 0 -8.910964 3.9494853 6.449831 1 1719 1 +ATOM C C . THR B0 2 3 . 3 THR B0 C 0 -7.935708 5.045148 6.869544 1 1720 1 +ATOM O O . THR B0 2 3 . 3 THR B0 O 0 -7.3680353 4.9916716 7.9639306 1 1721 1 +ATOM C CB . THR B0 2 3 . 3 THR B0 CB 0 -10.026465 3.8119297 7.4979844 1 1722 1 +ATOM O OG1 . THR B0 2 3 . 3 THR B0 OG1 0 -10.918682 2.7588243 7.1062927 1 1723 1 +ATOM C CG2 . THR B0 2 3 . 3 THR B0 CG2 0 -10.806591 5.109766 7.6306186 1 1724 1 +ATOM N N . GLN B0 2 4 . 4 GLN B0 N 0 -7.723013 6.022965 5.990387 1 1725 1 +ATOM C CA . GLN B0 2 4 . 4 GLN B0 CA 0 -6.777999 7.1005073 6.228047 1 1726 1 +ATOM C C . GLN B0 2 4 . 4 GLN B0 C 0 -7.519947 8.3821945 6.597163 1 1727 1 +ATOM O O . GLN B0 2 4 . 4 GLN B0 O 0 -8.5485325 8.700545 5.9964147 1 1728 1 +ATOM C CB . GLN B0 2 4 . 4 GLN B0 CB 0 -5.911872 7.3058863 4.985183 1 1729 1 +ATOM C CG . GLN B0 2 4 . 4 GLN B0 CG 0 -4.7275057 8.224703 5.1982 1 1730 1 +ATOM C CD . GLN B0 2 4 . 4 GLN B0 CD 0 -3.7744346 8.214435 4.00958 1 1731 1 +ATOM O OE1 . GLN B0 2 4 . 4 GLN B0 OE1 0 -3.7595365 7.270873 3.2229717 1 1732 1 +ATOM N NE2 . GLN B0 2 4 . 4 GLN B0 NE2 0 -2.968704 9.265121 3.8813806 1 1733 1 +ATOM N N . SER B0 2 5 . 5 SER B0 N 0 -7.005821 9.103719 7.5854053 1 1734 1 +ATOM C CA . SER B0 2 5 . 5 SER B0 CA 0 -7.6635504 10.338586 8.021244 1 1735 1 +ATOM C C . SER B0 2 5 . 5 SER B0 C 0 -6.638921 11.355494 8.498853 1 1736 1 +ATOM O O . SER B0 2 5 . 5 SER B0 O 0 -5.575739 10.98213 9.00809 1 1737 1 +ATOM C CB . SER B0 2 5 . 5 SER B0 CB 0 -8.673095 10.035295 9.136503 1 1738 1 +ATOM O OG . SER B0 2 5 . 5 SER B0 OG 0 -8.017096 9.507067 10.26787 1 1739 1 +ATOM N N . PRO B0 2 6 . 6 PRO B0 N 0 -6.9369736 12.654633 8.351886 1 1740 1 +ATOM C CA . PRO B0 2 6 . 6 PRO B0 CA 0 -8.099606 13.161238 7.6210966 1 1741 1 +ATOM C C . PRO B0 2 6 . 6 PRO B0 C 0 -7.87969 13.096904 6.120229 1 1742 1 +ATOM O O . PRO B0 2 6 . 6 PRO B0 O 0 -6.7611065 12.828531 5.668599 1 1743 1 +ATOM C CB . PRO B0 2 6 . 6 PRO B0 CB 0 -8.187892 14.61812 8.095453 1 1744 1 +ATOM C CG . PRO B0 2 6 . 6 PRO B0 CG 0 -6.7625365 15.001928 8.304211 1 1745 1 +ATOM C CD . PRO B0 2 6 . 6 PRO B0 CD 0 -6.096276 13.765211 8.861893 1 1746 1 +ATOM N N . SER B0 2 7 . 7 SER B0 N 0 -8.943481 13.308041 5.3524475 1 1747 1 +ATOM C CA . SER B0 2 7 . 7 SER B0 CA 0 -8.799007 13.303797 3.901586 1 1748 1 +ATOM C C . SER B0 2 7 . 7 SER B0 C 0 -8.034281 14.534962 3.4276745 1 1749 1 +ATOM O O . SER B0 2 7 . 7 SER B0 O 0 -7.390869 14.503663 2.3732324 1 1750 1 +ATOM C CB . SER B0 2 7 . 7 SER B0 CB 0 -10.17099 13.237051 3.2281585 1 1751 1 +ATOM O OG . SER B0 2 7 . 7 SER B0 OG 0 -10.976011 14.339371 3.5707116 1 1752 1 +ATOM N N . SER B0 2 8 . 8 SER B0 N 0 -8.085421 15.603526 4.2029777 1 1753 1 +ATOM C CA . SER B0 2 8 . 8 SER B0 CA 0 -7.3238573 16.812931 3.9172509 1 1754 1 +ATOM C C . SER B0 2 8 . 8 SER B0 C 0 -7.107557 17.588692 5.2021723 1 1755 1 +ATOM O O . SER B0 2 8 . 8 SER B0 O 0 -7.847369 17.427696 6.170534 1 1756 1 +ATOM C CB . SER B0 2 8 . 8 SER B0 CB 0 -8.033178 17.697735 2.878135 1 1757 1 +ATOM O OG . SER B0 2 8 . 8 SER B0 OG 0 -9.2417755 18.222551 3.38652 1 1758 1 +ATOM N N . LEU B0 2 9 . 9 LEU B0 N 0 -6.071148 18.405954 5.213574 1 1759 1 +ATOM C CA . LEU B0 2 9 . 9 LEU B0 CA 0 -5.794895 19.245895 6.3706913 1 1760 1 +ATOM C C . LEU B0 2 9 . 9 LEU B0 C 0 -5.040615 20.485477 5.9196687 1 1761 1 +ATOM O O . LEU B0 2 9 . 9 LEU B0 O 0 -4.3590393 20.47538 4.90243 1 1762 1 +ATOM C CB . LEU B0 2 9 . 9 LEU B0 CB 0 -5.0135794 18.481873 7.446241 1 1763 1 +ATOM C CG . LEU B0 2 9 . 9 LEU B0 CG 0 -3.5999858 18.011986 7.135036 1 1764 1 +ATOM C CD1 . LEU B0 2 9 . 9 LEU B0 CD1 0 -3.271651 16.768597 7.9523897 1 1765 1 +ATOM C CD2 . LEU B0 2 9 . 9 LEU B0 CD2 0 -2.5590143 19.108646 7.4039745 1 1766 1 +ATOM N N . SER B0 2 10 . 10 SER B0 N 0 -5.190893 21.567165 6.688524 1 1767 1 +ATOM C CA . SER B0 2 10 . 10 SER B0 CA 0 -4.4841557 22.814026 6.4240975 1 1768 1 +ATOM C C . SER B0 2 10 . 10 SER B0 C 0 -3.5043917 23.06668 7.560612 1 1769 1 +ATOM O O . SER B0 2 10 . 10 SER B0 O 0 -3.8400595 22.897533 8.735696 1 1770 1 +ATOM C CB . SER B0 2 10 . 10 SER B0 CB 0 -5.4691586 23.976398 6.316931 1 1771 1 +ATOM O OG . SER B0 2 10 . 10 SER B0 OG 0 -6.374222 23.78893 5.244854 1 1772 1 +ATOM N N . ALA B0 2 11 . 11 ALA B0 N 0 -2.2920744 23.441216 7.2065115 1 1773 1 +ATOM C CA . ALA B0 2 11 . 11 ALA B0 CA 0 -1.2640672 23.684914 8.207986 1 1774 1 +ATOM C C . ALA B0 2 11 . 11 ALA B0 C 0 -0.30360866 24.752045 7.7193007 1 1775 1 +ATOM O O . ALA B0 2 11 . 11 ALA B0 O 0 -0.25474998 25.069477 6.534337 1 1776 1 +ATOM C CB . ALA B0 2 11 . 11 ALA B0 CB 0 -0.5085025 22.400236 8.525345 1 1777 1 +ATOM N N . SER B0 2 12 . 12 SER B0 N 0 0.46063316 25.31573 8.658586 1 1778 1 +ATOM C CA . SER B0 2 12 . 12 SER B0 CA 0 1.4419883 26.341854 8.342248 1 1779 1 +ATOM C C . SER B0 2 12 . 12 SER B0 C 0 2.8504686 25.768898 8.450562 1 1780 1 +ATOM O O . SER B0 2 12 . 12 SER B0 O 0 3.0721521 24.763224 9.126114 1 1781 1 +ATOM C CB . SER B0 2 12 . 12 SER B0 CB 0 1.2957186 27.541243 9.28286 1 1782 1 +ATOM O OG . SER B0 2 12 . 12 SER B0 OG 0 -0.0042213975 28.117762 9.206429 1 1783 1 +ATOM N N . VAL B0 2 13 . 13 VAL B0 N 0 3.7860756 26.418053 7.768202 1 1784 1 +ATOM C CA . VAL B0 2 13 . 13 VAL B0 CA 0 5.1843977 26.008184 7.847453 1 1785 1 +ATOM C C . VAL B0 2 13 . 13 VAL B0 C 0 5.619153 26.039797 9.310213 1 1786 1 +ATOM O O . VAL B0 2 13 . 13 VAL B0 O 0 5.3351636 27.001188 10.031828 1 1787 1 +ATOM C CB . VAL B0 2 13 . 13 VAL B0 CB 0 6.081628 26.929993 7.0022106 1 1788 1 +ATOM C CG1 . VAL B0 2 13 . 13 VAL B0 CG1 0 7.5548973 26.651844 7.268981 1 1789 1 +ATOM C CG2 . VAL B0 2 13 . 13 VAL B0 CG2 0 5.755878 26.766949 5.5212164 1 1790 1 +ATOM N N . GLY B0 2 14 . 14 GLY B0 N 0 6.2774086 24.97176 9.7557335 1 1791 1 +ATOM C CA . GLY B0 2 14 . 14 GLY B0 CA 0 6.710291 24.861822 11.134935 1 1792 1 +ATOM C C . GLY B0 2 14 . 14 GLY B0 C 0 5.7762303 24.057245 12.0160675 1 1793 1 +ATOM O O . GLY B0 2 14 . 14 GLY B0 O 0 6.1578836 23.657867 13.119991 1 1794 1 +ATOM N N . ASP B0 2 15 . 15 ASP B0 N 0 4.537289 23.80278 11.544411 1 1795 1 +ATOM C CA . ASP B0 2 15 . 15 ASP B0 CA 0 3.5626721 23.036808 12.314013 1 1796 1 +ATOM C C . ASP B0 2 15 . 15 ASP B0 C 0 3.944838 21.566809 12.387569 1 1797 1 +ATOM O O . ASP B0 2 15 . 15 ASP B0 O 0 4.651255 21.04021 11.524556 1 1798 1 +ATOM C CB . ASP B0 2 15 . 15 ASP B0 CB 0 2.167139 23.146059 11.686367 1 1799 1 +ATOM C CG . ASP B0 2 15 . 15 ASP B0 CG 0 1.4743421 24.462875 11.972473 1 1800 1 +ATOM O OD1 . ASP B0 2 15 . 15 ASP B0 OD1 0 2.0477405 25.30058 12.698709 1 1801 1 +ATOM O OD2 . ASP B0 2 15 . 15 ASP B0 OD2 0 0.35222614 24.649235 11.4624405 1 1802 1 +ATOM N N . ARG B0 2 16 . 16 ARG B0 N 0 3.4501781 20.889156 13.41338 1 1803 1 +ATOM C CA . ARG B0 2 16 . 16 ARG B0 CA 0 3.5904202 19.444824 13.552073 1 1804 1 +ATOM C C . ARG B0 2 16 . 16 ARG B0 C 0 2.3292403 18.837292 12.961637 1 1805 1 +ATOM O O . ARG B0 2 16 . 16 ARG B0 O 0 1.21651 19.168571 13.38779 1 1806 1 +ATOM C CB . ARG B0 2 16 . 16 ARG B0 CB 0 3.746078 19.052252 15.01779 1 1807 1 +ATOM C CG . ARG B0 2 16 . 16 ARG B0 CG 0 3.951622 17.569172 15.245417 1 1808 1 +ATOM C CD . ARG B0 2 16 . 16 ARG B0 CD 0 4.1090903 17.263638 16.736296 1 1809 1 +ATOM N NE . ARG B0 2 16 . 16 ARG B0 NE 0 4.409511 15.859488 17.000223 1 1810 1 +ATOM C CZ . ARG B0 2 16 . 16 ARG B0 CZ 0 5.637381 15.35874 17.075298 1 1811 1 +ATOM N NH1 . ARG B0 2 16 . 16 ARG B0 NH1 0 6.6956162 16.141804 16.891811 1 1812 1 +ATOM N NH2 . ARG B0 2 16 . 16 ARG B0 NH2 0 5.809184 14.068226 17.306023 1 1813 1 +ATOM N N . VAL B0 2 17 . 17 VAL B0 N 0 2.5005214 17.950157 11.97592 1 1814 1 +ATOM C CA . VAL B0 2 17 . 17 VAL B0 CA 0 1.3713589 17.342976 11.278937 1 1815 1 +ATOM C C . VAL B0 2 17 . 17 VAL B0 C 0 1.3424239 15.839693 11.53679 1 1816 1 +ATOM O O . VAL B0 2 17 . 17 VAL B0 O 0 2.3795056 15.173296 11.454359 1 1817 1 +ATOM C CB . VAL B0 2 17 . 17 VAL B0 CB 0 1.4553397 17.611244 9.760854 1 1818 1 +ATOM C CG1 . VAL B0 2 17 . 17 VAL B0 CG1 0 0.41490003 16.804111 9.005579 1 1819 1 +ATOM C CG2 . VAL B0 2 17 . 17 VAL B0 CG2 0 1.2775259 19.095497 9.483444 1 1820 1 +ATOM N N . THR B0 2 18 . 18 THR B0 N 0 0.15351841 15.302791 11.853446 1 1821 1 +ATOM C CA . THR B0 2 18 . 18 THR B0 CA 0 -0.012422838 13.880117 12.102503 1 1822 1 +ATOM C C . THR B0 2 18 . 18 THR B0 C 0 -1.1275575 13.33428 11.213221 1 1823 1 +ATOM O O . THR B0 2 18 . 18 THR B0 O 0 -2.2329693 13.864527 11.196983 1 1824 1 +ATOM C CB . THR B0 2 18 . 18 THR B0 CB 0 -0.34188285 13.60467 13.580694 1 1825 1 +ATOM O OG1 . THR B0 2 18 . 18 THR B0 OG1 0 0.72831404 14.073463 14.402464 1 1826 1 +ATOM C CG2 . THR B0 2 18 . 18 THR B0 CG2 0 -0.5380434 12.11224 13.819328 1 1827 1 +ATOM N N . ILE B0 2 19 . 19 ILE B0 N 0 -0.80847204 12.268331 10.463559 1 1828 1 +ATOM C CA . ILE B0 2 19 . 19 ILE B0 CA 0 -1.7656318 11.596626 9.5896 1 1829 1 +ATOM C C . ILE B0 2 19 . 19 ILE B0 C 0 -1.9510641 10.179138 10.111734 1 1830 1 +ATOM O O . ILE B0 2 19 . 19 ILE B0 O 0 -0.9755543 9.517434 10.471674 1 1831 1 +ATOM C CB . ILE B0 2 19 . 19 ILE B0 CB 0 -1.2558758 11.568462 8.133205 1 1832 1 +ATOM C CG1 . ILE B0 2 19 . 19 ILE B0 CG1 0 -1.107366 12.996929 7.606021 1 1833 1 +ATOM C CG2 . ILE B0 2 19 . 19 ILE B0 CG2 0 -2.194728 10.751109 7.2466154 1 1834 1 +ATOM C CD1 . ILE B0 2 19 . 19 ILE B0 CD1 0 -0.34684962 13.095875 6.2916126 1 1835 1 +ATOM N N . THR B0 2 20 . 20 THR B0 N 0 -3.203465 9.709155 10.168268 1 1836 1 +ATOM C CA . THR B0 2 20 . 20 THR B0 CA 0 -3.5161946 8.402627 10.73023 1 1837 1 +ATOM C C . THR B0 2 20 . 20 THR B0 C 0 -3.9592478 7.416335 9.652163 1 1838 1 +ATOM O O . THR B0 2 20 . 20 THR B0 O 0 -4.642637 7.7870827 8.69746 1 1839 1 +ATOM C CB . THR B0 2 20 . 20 THR B0 CB 0 -4.6197367 8.519199 11.80313 1 1840 1 +ATOM O OG1 . THR B0 2 20 . 20 THR B0 OG1 0 -4.1808233 9.400118 12.841995 1 1841 1 +ATOM C CG2 . THR B0 2 20 . 20 THR B0 CG2 0 -4.974573 7.1662045 12.3986435 1 1842 1 +ATOM N N . CYS B0 2 21 . 21 CYS B0 N 0 -3.5619059 6.1532335 9.818466 1 1843 1 +ATOM C CA . CYS B0 2 21 . 21 CYS B0 CA 0 -3.9595287 5.0692067 8.921465 1 1844 1 +ATOM C C . CYS B0 2 21 . 21 CYS B0 C 0 -4.398913 3.897647 9.780127 1 1845 1 +ATOM O O . CYS B0 2 21 . 21 CYS B0 O 0 -3.6234918 3.386291 10.585148 1 1846 1 +ATOM C CB . CYS B0 2 21 . 21 CYS B0 CB 0 -2.7878482 4.670799 8.02821 1 1847 1 +ATOM S SG . CYS B0 2 21 . 21 CYS B0 SG 0 -3.1151774 3.3559103 6.865346 1 1848 1 +ATOM N N . ARG B0 2 22 . 22 ARG B0 N 0 -5.6688356 3.4860673 9.643474 1 1849 1 +ATOM C CA . ARG B0 2 22 . 22 ARG B0 CA 0 -6.2203665 2.38344 10.423328 1 1850 1 +ATOM C C . ARG B0 2 22 . 22 ARG B0 C 0 -6.492716 1.1807263 9.521246 1 1851 1 +ATOM O O . ARG B0 2 22 . 22 ARG B0 O 0 -7.153508 1.3065927 8.487658 1 1852 1 +ATOM C CB . ARG B0 2 22 . 22 ARG B0 CB 0 -7.5191274 2.8012528 11.127549 1 1853 1 +ATOM C CG . ARG B0 2 22 . 22 ARG B0 CG 0 -7.3076963 3.8587172 12.193881 1 1854 1 +ATOM C CD . ARG B0 2 22 . 22 ARG B0 CD 0 -8.643993 4.3114014 12.780086 1 1855 1 +ATOM N NE . ARG B0 2 22 . 22 ARG B0 NE 0 -9.434265 3.2041793 13.343971 1 1856 1 +ATOM C CZ . ARG B0 2 22 . 22 ARG B0 CZ 0 -9.299671 2.7351842 14.5668 1 1857 1 +ATOM N NH1 . ARG B0 2 22 . 22 ARG B0 NH1 0 -10.042236 1.7182366 14.977341 1 1858 1 +ATOM N NH2 . ARG B0 2 22 . 22 ARG B0 NH2 0 -8.417156 3.2854218 15.385072 1 1859 1 +ATOM N N . ALA B0 2 23 . 23 ALA B0 N 0 -5.981468 0.0116179455 9.928732 1 1860 1 +ATOM C CA . ALA B0 2 23 . 23 ALA B0 CA 0 -6.187401 -1.2278417 9.191978 1 1861 1 +ATOM C C . ALA B0 2 23 . 23 ALA B0 C 0 -7.369859 -1.9880021 9.792114 1 1862 1 +ATOM O O . ALA B0 2 23 . 23 ALA B0 O 0 -7.566225 -1.9734311 11.003098 1 1863 1 +ATOM C CB . ALA B0 2 23 . 23 ALA B0 CB 0 -4.9268513 -2.0843418 9.231599 1 1864 1 +ATOM N N . SER B0 2 24 . 24 SER B0 N 0 -8.153657 -2.6442807 8.947002 1 1865 1 +ATOM C CA . SER B0 2 24 . 24 SER B0 CA 0 -9.324783 -3.389894 9.40769 1 1866 1 +ATOM C C . SER B0 2 24 . 24 SER B0 C 0 -8.951696 -4.683056 10.125139 1 1867 1 +ATOM O O . SER B0 2 24 . 24 SER B0 O 0 -9.804081 -5.2915006 10.779104 1 1868 1 +ATOM C CB . SER B0 2 24 . 24 SER B0 CB 0 -10.248332 -3.700467 8.227041 1 1869 1 +ATOM O OG . SER B0 2 24 . 24 SER B0 OG 0 -9.586842 -4.4768877 7.249276 1 1870 1 +ATOM N N . GLN B0 2 25 . 25 GLN B0 N 0 -7.6974688 -5.1057076 10.005771 1 1871 1 +ATOM C CA . GLN B0 2 25 . 25 GLN B0 CA 0 -7.204995 -6.284025 10.69785 1 1872 1 +ATOM C C . GLN B0 2 25 . 25 GLN B0 C 0 -5.719903 -6.1157866 10.98049 1 1873 1 +ATOM O O . GLN B0 2 25 . 25 GLN B0 O 0 -5.0739546 -5.224403 10.422575 1 1874 1 +ATOM C CB . GLN B0 2 25 . 25 GLN B0 CB 0 -7.4467983 -7.55239 9.872434 1 1875 1 +ATOM C CG . GLN B0 2 25 . 25 GLN B0 CG 0 -6.791399 -7.523493 8.493251 1 1876 1 +ATOM C CD . GLN B0 2 25 . 25 GLN B0 CD 0 -7.2066865 -8.703816 7.639056 1 1877 1 +ATOM O OE1 . GLN B0 2 25 . 25 GLN B0 OE1 0 -8.120493 -9.445797 7.997794 1 1878 1 +ATOM N NE2 . GLN B0 2 25 . 25 GLN B0 NE2 0 -6.5429726 -8.890526 6.5073576 1 1879 1 +ATOM N N . ASP B0 2 26 . 26 ASP B0 N 0 -5.1725817 -6.957631 11.85128 1 1880 1 +ATOM C CA . ASP B0 2 26 . 26 ASP B0 CA 0 -3.7754521 -6.8690143 12.257809 1 1881 1 +ATOM C C . ASP B0 2 26 . 26 ASP B0 C 0 -2.8495154 -7.1230087 11.066324 1 1882 1 +ATOM O O . ASP B0 2 26 . 26 ASP B0 O 0 -2.8744595 -8.203852 10.484588 1 1883 1 +ATOM C CB . ASP B0 2 26 . 26 ASP B0 CB 0 -3.4851253 -7.8782697 13.371141 1 1884 1 +ATOM C CG . ASP B0 2 26 . 26 ASP B0 CG 0 -2.135989 -7.6672626 14.033558 1 1885 1 +ATOM O OD1 . ASP B0 2 26 . 26 ASP B0 OD1 0 -1.2688303 -6.984447 13.456089 1 1886 1 +ATOM O OD2 . ASP B0 2 26 . 26 ASP B0 OD2 0 -1.937248 -8.198657 15.1556225 1 1887 1 +ATOM N N . ILE B0 2 27 . 27 ILE B0 N 0 -2.0543437 -6.1102047 10.69693 1 1888 1 +ATOM C CA . ILE B0 2 27 . 27 ILE B0 CA 0 -1.095698 -6.2407074 9.597104 1 1889 1 +ATOM C C . ILE B0 2 27 . 27 ILE B0 C 0 0.33473933 -6.1520805 10.111849 1 1890 1 +ATOM O O . ILE B0 2 27 . 27 ILE B0 O 0 1.2753999 -5.9670777 9.326256 1 1891 1 +ATOM C CB . ILE B0 2 27 . 27 ILE B0 CB 0 -1.3223792 -5.1735535 8.5070305 1 1892 1 +ATOM C CG1 . ILE B0 2 27 . 27 ILE B0 CG1 0 -1.1644273 -3.7687895 9.079159 1 1893 1 +ATOM C CG2 . ILE B0 2 27 . 27 ILE B0 CG2 0 -2.7091074 -5.3587933 7.8791547 1 1894 1 +ATOM C CD1 . ILE B0 2 27 . 27 ILE B0 CD1 0 -1.200501 -2.6663947 8.019211 1 1895 1 +ATOM N N . SER B0 2 28 . 28 SER B0 N 0 0.51329446 -6.2890406 11.424077 1 1896 1 +ATOM C CA . SER B0 2 28 . 28 SER B0 CA 0 1.8269027 -6.2683063 12.06717 1 1897 1 +ATOM C C . SER B0 2 28 . 28 SER B0 C 0 2.5939813 -5.00313 11.668371 1 1898 1 +ATOM O O . SER B0 2 28 . 28 SER B0 O 0 2.1223903 -3.9010801 11.923046 1 1899 1 +ATOM C CB . SER B0 2 28 . 28 SER B0 CB 0 2.6113582 -7.528923 11.719847 1 1900 1 +ATOM O OG . SER B0 2 28 . 28 SER B0 OG 0 1.9404621 -8.681265 12.200096 1 1901 1 +ATOM N N . SER B0 2 29 . 29 SER B0 N 0 3.7311358 -5.1400547 11.007978 1 1902 1 +ATOM C CA . SER B0 2 29 . 29 SER B0 CA 0 4.5308924 -3.9960387 10.592493 1 1903 1 +ATOM C C . SER B0 2 29 . 29 SER B0 C 0 4.556693 -3.8193328 9.071512 1 1904 1 +ATOM O O . SER B0 2 29 . 29 SER B0 O 0 5.431549 -3.1230805 8.538563 1 1905 1 +ATOM C CB . SER B0 2 29 . 29 SER B0 CB 0 5.963377 -4.139737 11.123047 1 1906 1 +ATOM O OG . SER B0 2 29 . 29 SER B0 OG 0 6.5823736 -5.3036304 10.604416 1 1907 1 +ATOM N N . ALA B0 2 30 . 30 ALA B0 N 0 3.5939746 -4.423851 8.357142 1 1908 1 +ATOM C CA . ALA B0 2 30 . 30 ALA B0 CA 0 3.5537386 -4.368595 6.894189 1 1909 1 +ATOM C C . ALA B0 2 30 . 30 ALA B0 C 0 2.8667097 -3.0919082 6.413497 1 1910 1 +ATOM O O . ALA B0 2 30 . 30 ALA B0 O 0 1.8185024 -3.1334088 5.763668 1 1911 1 +ATOM C CB . ALA B0 2 30 . 30 ALA B0 CB 0 2.8462415 -5.5970297 6.3423376 1 1912 1 +ATOM N N . LEU B0 2 31 . 31 LEU B0 N 0 3.4565644 -1.9295886 6.7144837 1 1913 1 +ATOM C CA . LEU B0 2 31 . 31 LEU B0 CA 0 2.879813 -0.6533755 6.3275814 1 1914 1 +ATOM C C . LEU B0 2 31 . 31 LEU B0 C 0 3.9538052 0.30635443 5.828706 1 1915 1 +ATOM O O . LEU B0 2 31 . 31 LEU B0 O 0 5.026951 0.4009794 6.419144 1 1916 1 +ATOM C CB . LEU B0 2 31 . 31 LEU B0 CB 0 2.1212409 -0.01165417 7.4928665 1 1917 1 +ATOM C CG . LEU B0 2 31 . 31 LEU B0 CG 0 1.2655349 1.1971188 7.064424 1 1918 1 +ATOM C CD1 . LEU B0 2 31 . 31 LEU B0 CD1 0 1.687893 2.4506366 7.7834682 1 1919 1 +ATOM C CD2 . LEU B0 2 31 . 31 LEU B0 CD2 0 -0.1974658 0.93105567 7.154284 1 1920 1 +ATOM N N . ALA B0 2 32 . 32 ALA B0 N 0 3.6392488 1.0149486 4.7341003 1 1921 1 +ATOM C CA . ALA B0 2 32 . 32 ALA B0 CA 0 4.541606 2.0038962 4.1565495 1 1922 1 +ATOM C C . ALA B0 2 32 . 32 ALA B0 C 0 3.7952476 3.3165922 3.9413865 1 1923 1 +ATOM O O . ALA B0 2 32 . 32 ALA B0 O 0 2.5629392 3.3386664 3.8867636 1 1924 1 +ATOM C CB . ALA B0 2 32 . 32 ALA B0 CB 0 5.1091957 1.502269 2.8240657 1 1925 1 +ATOM N N . TRP B0 2 33 . 33 TRP B0 N 0 4.55012 4.4127054 3.8244224 1 1926 1 +ATOM C CA . TRP B0 2 33 . 33 TRP B0 CA 0 3.9924173 5.732894 3.575243 1 1927 1 +ATOM C C . TRP B0 2 33 . 33 TRP B0 C 0 4.6412134 6.336926 2.331893 1 1928 1 +ATOM O O . TRP B0 2 33 . 33 TRP B0 O 0 5.8611784 6.228744 2.1374764 1 1929 1 +ATOM C CB . TRP B0 2 33 . 33 TRP B0 CB 0 4.236802 6.6712275 4.765209 1 1930 1 +ATOM C CG . TRP B0 2 33 . 33 TRP B0 CG 0 3.4457984 6.3538938 5.9938755 1 1931 1 +ATOM C CD1 . TRP B0 2 33 . 33 TRP B0 CD1 0 3.8625283 5.634873 7.0744433 1 1932 1 +ATOM C CD2 . TRP B0 2 33 . 33 TRP B0 CD2 0 2.1044974 6.7639046 6.2779493 1 1933 1 +ATOM N NE1 . TRP B0 2 33 . 33 TRP B0 NE1 0 2.8644173 5.5746307 8.01755 1 1934 1 +ATOM C CE2 . TRP B0 2 33 . 33 TRP B0 CE2 0 1.7735512 6.254036 7.5550556 1 1935 1 +ATOM C CE3 . TRP B0 2 33 . 33 TRP B0 CE3 0 1.1473296 7.507495 5.5808544 1 1936 1 +ATOM C CZ2 . TRP B0 2 33 . 33 TRP B0 CZ2 0 0.5292077 6.4710217 8.149075 1 1937 1 +ATOM C CZ3 . TRP B0 2 33 . 33 TRP B0 CZ3 0 -0.08831878 7.722169 6.166991 1 1938 1 +ATOM C CH2 . TRP B0 2 33 . 33 TRP B0 CH2 0 -0.38241264 7.2037 7.441799 1 1939 1 +ATOM N N . TYR B0 2 34 . 34 TYR B0 N 0 3.8085446 7.015471 1.5007893 1 1940 1 +ATOM C CA . TYR B0 2 34 . 34 TYR B0 CA 0 4.2682757 7.640519 0.26643184 1 1941 1 +ATOM C C . TYR B0 2 34 . 34 TYR B0 C 0 3.8327637 9.097853 0.19488916 1 1942 1 +ATOM O O . TYR B0 2 34 . 34 TYR B0 O 0 2.8095334 9.484309 0.7622832 1 1943 1 +ATOM C CB . TYR B0 2 34 . 34 TYR B0 CB 0 3.6992624 6.9127064 -0.96175647 1 1944 1 +ATOM C CG . TYR B0 2 34 . 34 TYR B0 CG 0 4.056161 5.4533567 -1.0333867 1 1945 1 +ATOM C CD1 . TYR B0 2 34 . 34 TYR B0 CD1 0 3.266715 4.5001364 -0.39040685 1 1946 1 +ATOM C CD2 . TYR B0 2 34 . 34 TYR B0 CD2 0 5.1739473 5.017292 -1.7267673 1 1947 1 +ATOM C CE1 . TYR B0 2 34 . 34 TYR B0 CE1 0 3.58891 3.154189 -0.43823972 1 1948 1 +ATOM C CE2 . TYR B0 2 34 . 34 TYR B0 CE2 0 5.5027227 3.6710858 -1.7831876 1 1949 1 +ATOM C CZ . TYR B0 2 34 . 34 TYR B0 CZ 0 4.7088127 2.748082 -1.1356997 1 1950 1 +ATOM O OH . TYR B0 2 34 . 34 TYR B0 OH 0 5.03119 1.4206614 -1.1786238 1 1951 1 +ATOM N N . GLN B0 2 35 . 35 GLN B0 N 0 4.6106567 9.876034 -0.5388012 1 1952 1 +ATOM C CA . GLN B0 2 35 . 35 GLN B0 CA 0 4.2902517 11.274546 -0.8084972 1 1953 1 +ATOM C C . GLN B0 2 35 . 35 GLN B0 C 0 4.103874 11.435775 -2.311674 1 1954 1 +ATOM O O . GLN B0 2 35 . 35 GLN B0 O 0 4.897129 10.909569 -3.092627 1 1955 1 +ATOM C CB . GLN B0 2 35 . 35 GLN B0 CB 0 5.4276905 12.181607 -0.32902855 1 1956 1 +ATOM C CG . GLN B0 2 35 . 35 GLN B0 CG 0 5.213464 13.671267 -0.6389793 1 1957 1 +ATOM C CD . GLN B0 2 35 . 35 GLN B0 CD 0 6.487329 14.4813595 -0.4654522 1 1958 1 +ATOM O OE1 . GLN B0 2 35 . 35 GLN B0 OE1 0 7.41534 14.373043 -1.2648523 1 1959 1 +ATOM N NE2 . GLN B0 2 35 . 35 GLN B0 NE2 0 6.5531874 15.278371 0.59990156 1 1960 1 +ATOM N N . GLN B0 2 36 . 36 GLN B0 N 0 3.0305648 12.136625 -2.7150803 1 1961 1 +ATOM C CA . GLN B0 2 36 . 36 GLN B0 CA 0 2.8160343 12.382122 -4.138552 1 1962 1 +ATOM C C . GLN B0 2 36 . 36 GLN B0 C 0 2.4854114 13.845276 -4.3941946 1 1963 1 +ATOM O O . GLN B0 2 36 . 36 GLN B0 O 0 1.6035925 14.411076 -3.7514362 1 1964 1 +ATOM C CB . GLN B0 2 36 . 36 GLN B0 CB 0 1.6941075 11.498463 -4.694482 1 1965 1 +ATOM C CG . GLN B0 2 36 . 36 GLN B0 CG 0 1.5489856 11.64514 -6.2049026 1 1966 1 +ATOM C CD . GLN B0 2 36 . 36 GLN B0 CD 0 0.41703248 10.825033 -6.7842436 1 1967 1 +ATOM O OE1 . GLN B0 2 36 . 36 GLN B0 OE1 0 -0.6517117 10.718571 -6.186285 1 1968 1 +ATOM N NE2 . GLN B0 2 36 . 36 GLN B0 NE2 0 0.6504722 10.237958 -7.9592757 1 1969 1 +ATOM N N . LYS B0 2 37 . 37 LYS B0 N 0 3.2006226 14.438513 -5.321987 1 1970 1 +ATOM C CA . LYS B0 2 37 . 37 LYS B0 CA 0 2.949171 15.810623 -5.7502584 1 1971 1 +ATOM C C . LYS B0 2 37 . 37 LYS B0 C 0 2.2877288 15.790636 -7.120784 1 1972 1 +ATOM O O . LYS B0 2 37 . 37 LYS B0 O 0 2.4314303 14.81625 -7.8661337 1 1973 1 +ATOM C CB . LYS B0 2 37 . 37 LYS B0 CB 0 4.256936 16.606853 -5.778904 1 1974 1 +ATOM C CG . LYS B0 2 37 . 37 LYS B0 CG 0 4.8651166 16.77339 -4.393501 1 1975 1 +ATOM C CD . LYS B0 2 37 . 37 LYS B0 CD 0 6.0981145 17.666613 -4.42153 1 1976 1 +ATOM C CE . LYS B0 2 37 . 37 LYS B0 CE 0 6.6206555 17.860435 -3.0059829 1 1977 1 +ATOM N NZ . LYS B0 2 37 . 37 LYS B0 NZ 0 7.8121605 18.7323 -2.9787185 1 1978 1 +ATOM N N . PRO B0 2 38 . 38 PRO B0 N 0 1.5167332 16.846977 -7.469799 1 1979 1 +ATOM C CA . PRO B0 2 38 . 38 PRO B0 CA 0 0.78831595 16.856907 -8.74153 1 1980 1 +ATOM C C . PRO B0 2 38 . 38 PRO B0 C 0 1.6890634 16.570044 -9.942566 1 1981 1 +ATOM O O . PRO B0 2 38 . 38 PRO B0 O 0 2.7659104 17.142185 -10.080446 1 1982 1 +ATOM C CB . PRO B0 2 38 . 38 PRO B0 CB 0 0.21362746 18.28128 -8.807869 1 1983 1 +ATOM C CG . PRO B0 2 38 . 38 PRO B0 CG 0 0.042206436 18.663342 -7.3713956 1 1984 1 +ATOM C CD . PRO B0 2 38 . 38 PRO B0 CD 0 1.240485 18.06214 -6.675514 1 1985 1 +ATOM N N . GLY B0 2 39 . 39 GLY B0 N 0 1.2365868 15.640476 -10.797035 1 1986 1 +ATOM C CA . GLY B0 2 39 . 39 GLY B0 CA 0 1.972244 15.294692 -11.99761 1 1987 1 +ATOM C C . GLY B0 2 39 . 39 GLY B0 C 0 3.1857235 14.414357 -11.781338 1 1988 1 +ATOM O O . GLY B0 2 39 . 39 GLY B0 O 0 3.9315262 14.160002 -12.734291 1 1989 1 +ATOM N N . LYS B0 2 40 . 40 LYS B0 N 0 3.3993573 13.954536 -10.547764 1 1990 1 +ATOM C CA . LYS B0 2 40 . 40 LYS B0 CA 0 4.5629625 13.130626 -10.227716 1 1991 1 +ATOM C C . LYS B0 2 40 . 40 LYS B0 C 0 4.1497784 11.757053 -9.727405 1 1992 1 +ATOM O O . LYS B0 2 40 . 40 LYS B0 O 0 3.0210633 11.570602 -9.240196 1 1993 1 +ATOM C CB . LYS B0 2 40 . 40 LYS B0 CB 0 5.42211 13.816872 -9.158789 1 1994 1 +ATOM C CG . LYS B0 2 40 . 40 LYS B0 CG 0 5.8893805 15.219439 -9.510291 1 1995 1 +ATOM C CD . LYS B0 2 40 . 40 LYS B0 CD 0 6.9643764 15.189654 -10.589638 1 1996 1 +ATOM C CE . LYS B0 2 40 . 40 LYS B0 CE 0 7.527381 16.586353 -10.832882 1 1997 1 +ATOM N NZ . LYS B0 2 40 . 40 LYS B0 NZ 0 8.576042 16.576206 -11.864532 1 1998 1 +ATOM N N . ALA B0 2 41 . 41 ALA B0 N 0 5.0528955 10.795195 -9.845111 1 1999 1 +ATOM C CA . ALA B0 2 41 . 41 ALA B0 CA 0 4.822083 9.473675 -9.290703 1 2000 1 +ATOM C C . ALA B0 2 41 . 41 ALA B0 C 0 4.9857283 9.535858 -7.7769046 1 2001 1 +ATOM O O . ALA B0 2 41 . 41 ALA B0 O 0 5.6783915 10.415981 -7.2595654 1 2002 1 +ATOM C CB . ALA B0 2 41 . 41 ALA B0 CB 0 5.8126564 8.474499 -9.878006 1 2003 1 +ATOM N N . PRO B0 2 42 . 42 PRO B0 N 0 4.3615584 8.616875 -7.049593 1 2004 1 +ATOM C CA . PRO B0 2 42 . 42 PRO B0 CA 0 4.5429535 8.592847 -5.590808 1 2005 1 +ATOM C C . PRO B0 2 42 . 42 PRO B0 C 0 6.0063934 8.34309 -5.2325587 1 2006 1 +ATOM O O . PRO B0 2 42 . 42 PRO B0 O 0 6.754361 7.726505 -5.995673 1 2007 1 +ATOM C CB . PRO B0 2 42 . 42 PRO B0 CB 0 3.6528432 7.425769 -5.1411734 1 2008 1 +ATOM C CG . PRO B0 2 42 . 42 PRO B0 CG 0 2.6070232 7.329488 -6.204912 1 2009 1 +ATOM C CD . PRO B0 2 42 . 42 PRO B0 CD 0 3.3433418 7.6498117 -7.486467 1 2010 1 +ATOM N N . LYS B0 2 43 . 43 LYS B0 N 0 6.4088945 8.836223 -4.0650654 1 2011 1 +ATOM C CA . LYS B0 2 43 . 43 LYS B0 CA 0 7.7657094 8.673969 -3.5625777 1 2012 1 +ATOM C C . LYS B0 2 43 . 43 LYS B0 C 0 7.7104864 8.017591 -2.1883135 1 2013 1 +ATOM O O . LYS B0 2 43 . 43 LYS B0 O 0 6.9680405 8.471363 -1.310785 1 2014 1 +ATOM C CB . LYS B0 2 43 . 43 LYS B0 CB 0 8.458618 10.040732 -3.463222 1 2015 1 +ATOM C CG . LYS B0 2 43 . 43 LYS B0 CG 0 9.817829 10.01035 -2.7949739 1 2016 1 +ATOM C CD . LYS B0 2 43 . 43 LYS B0 CD 0 10.33808 11.426698 -2.5823197 1 2017 1 +ATOM C CE . LYS B0 2 43 . 43 LYS B0 CE 0 11.641784 11.424218 -1.8036041 1 2018 1 +ATOM N NZ . LYS B0 2 43 . 43 LYS B0 NZ 0 12.116333 12.802799 -1.5122569 1 2019 1 +ATOM N N . LEU B0 2 44 . 44 LEU B0 N 0 8.489426 6.9514503 -1.9988029 1 2020 1 +ATOM C CA . LEU B0 2 44 . 44 LEU B0 CA 0 8.511943 6.24539 -0.7191933 1 2021 1 +ATOM C C . LEU B0 2 44 . 44 LEU B0 C 0 9.142773 7.1054206 0.37227467 1 2022 1 +ATOM O O . LEU B0 2 44 . 44 LEU B0 O 0 10.217907 7.674069 0.1807949 1 2023 1 +ATOM C CB . LEU B0 2 44 . 44 LEU B0 CB 0 9.293356 4.931777 -0.85209423 1 2024 1 +ATOM C CG . LEU B0 2 44 . 44 LEU B0 CG 0 9.434599 4.093691 0.42706907 1 2025 1 +ATOM C CD1 . LEU B0 2 44 . 44 LEU B0 CD1 0 10.44578 2.9733267 0.19653156 1 2026 1 +ATOM C CD2 . LEU B0 2 44 . 44 LEU B0 CD2 0 8.091193 3.5442371 0.86386466 1 2027 1 +ATOM N N . LEU B0 2 45 . 45 LEU B0 N 0 8.4714775 7.2125893 1.5148132 1 2028 1 +ATOM C CA . LEU B0 2 45 . 45 LEU B0 CA 0 8.978927 7.954722 2.658745 1 2029 1 +ATOM C C . LEU B0 2 45 . 45 LEU B0 C 0 9.390572 7.005504 3.781684 1 2030 1 +ATOM O O . LEU B0 2 45 . 45 LEU B0 O 0 10.505126 7.0932713 4.3015795 1 2031 1 +ATOM C CB . LEU B0 2 45 . 45 LEU B0 CB 0 7.917504 8.90894 3.2138333 1 2032 1 +ATOM C CG . LEU B0 2 45 . 45 LEU B0 CG 0 7.384557 10.018804 2.3167858 1 2033 1 +ATOM C CD1 . LEU B0 2 45 . 45 LEU B0 CD1 0 6.238649 10.742641 3.037301 1 2034 1 +ATOM C CD2 . LEU B0 2 45 . 45 LEU B0 CD2 0 8.4868145 10.997946 1.954752 1 2035 1 +ATOM N N . ILE B0 2 46 . 46 ILE B0 N 0 8.474014 6.132287 4.1686926 1 2036 1 +ATOM C CA . ILE B0 2 46 . 46 ILE B0 CA 0 8.637443 5.2290583 5.309102 1 2037 1 +ATOM C C . ILE B0 2 46 . 46 ILE B0 C 0 8.23162 3.816585 4.89448 1 2038 1 +ATOM O O . ILE B0 2 46 . 46 ILE B0 O 0 7.2498207 3.6382284 4.17397 1 2039 1 +ATOM C CB . ILE B0 2 46 . 46 ILE B0 CB 0 7.757289 5.6691236 6.5010853 1 2040 1 +ATOM C CG1 . ILE B0 2 46 . 46 ILE B0 CG1 0 8.118018 7.089836 6.9665356 1 2041 1 +ATOM C CG2 . ILE B0 2 46 . 46 ILE B0 CG2 0 7.838013 4.672183 7.645542 1 2042 1 +ATOM C CD1 . ILE B0 2 46 . 46 ILE B0 CD1 0 9.406738 7.198313 7.742211 1 2043 1 +ATOM N N . TYR B0 2 47 . 47 TYR B0 N 0 8.992336 2.7991161 5.335273 1 2044 1 +ATOM C CA . TYR B0 2 47 . 47 TYR B0 CA 0 8.605316 1.414254 5.12667 1 2045 1 +ATOM C C . TYR B0 2 47 . 47 TYR B0 C 0 8.731835 0.65000063 6.4365296 1 2046 1 +ATOM O O . TYR B0 2 47 . 47 TYR B0 O 0 9.407397 1.1075883 7.375168 1 2047 1 +ATOM C CB . TYR B0 2 47 . 47 TYR B0 CB 0 9.441 0.75184304 4.025691 1 2048 1 +ATOM C CG . TYR B0 2 47 . 47 TYR B0 CG 0 10.94017 0.72863346 4.2838564 1 2049 1 +ATOM C CD1 . TYR B0 2 47 . 47 TYR B0 CD1 0 11.753258 1.7825229 3.8743312 1 2050 1 +ATOM C CD2 . TYR B0 2 47 . 47 TYR B0 CD2 0 11.538992 -0.34872085 4.92393 1 2051 1 +ATOM C CE1 . TYR B0 2 47 . 47 TYR B0 CE1 0 13.121268 1.7642487 4.099536 1 2052 1 +ATOM C CE2 . TYR B0 2 47 . 47 TYR B0 CE2 0 12.9032755 -0.37835312 5.1507754 1 2053 1 +ATOM C CZ . TYR B0 2 47 . 47 TYR B0 CZ 0 13.684542 0.6756724 4.737693 1 2054 1 +ATOM O OH . TYR B0 2 47 . 47 TYR B0 OH 0 15.0438385 0.6516049 4.955495 1 2055 1 +ATOM N N . ASP B0 2 48 . 48 ASP B0 N 0 8.052078 -0.495153 6.532177 1 2056 1 +ATOM C CA . ASP B0 2 48 . 48 ASP B0 CA 0 8.04819 -1.3093679 7.748774 1 2057 1 +ATOM C C . ASP B0 2 48 . 48 ASP B0 C 0 7.7066603 -0.46089068 8.974138 1 2058 1 +ATOM O O . ASP B0 2 48 . 48 ASP B0 O 0 8.338236 -0.5546354 10.019629 1 2059 1 +ATOM C CB . ASP B0 2 48 . 48 ASP B0 CB 0 9.394461 -2.0193732 7.935302 1 2060 1 +ATOM C CG . ASP B0 2 48 . 48 ASP B0 CG 0 9.6396265 -3.098933 6.891829 1 2061 1 +ATOM O OD1 . ASP B0 2 48 . 48 ASP B0 OD1 0 8.723774 -3.3890338 6.090402 1 2062 1 +ATOM O OD2 . ASP B0 2 48 . 48 ASP B0 OD2 0 10.756622 -3.652067 6.869035 1 2063 1 +ATOM N N . VAL B0 2 49 . 49 VAL B0 N 0 6.671725 0.40080774 8.821796 1 2064 1 +ATOM C CA . VAL B0 2 49 . 49 VAL B0 CA 0 6.108543 1.26564 9.85066 1 2065 1 +ATOM C C . VAL B0 2 49 . 49 VAL B0 C 0 6.9673243 2.4862423 10.190205 1 2066 1 +ATOM O O . VAL B0 2 49 . 49 VAL B0 O 0 6.482735 3.6107771 10.130308 1 2067 1 +ATOM C CB . VAL B0 2 49 . 49 VAL B0 CB 0 5.7660146 0.5045334 11.152735 1 2068 1 +ATOM C CG1 . VAL B0 2 49 . 49 VAL B0 CG1 0 5.1616693 1.4377722 12.184831 1 2069 1 +ATOM C CG2 . VAL B0 2 49 . 49 VAL B0 CG2 0 4.8197103 -0.65971184 10.861684 1 2070 1 +ATOM N N . SER B0 2 50 . 50 SER B0 N 0 8.257681 2.2574985 10.512911 1 2071 1 +ATOM C CA . SER B0 2 50 . 50 SER B0 CA 0 9.073244 3.3478003 11.030006 1 2072 1 +ATOM C C . SER B0 2 50 . 50 SER B0 C 0 10.439873 3.5200086 10.370867 1 2073 1 +ATOM O O . SER B0 2 50 . 50 SER B0 O 0 11.200894 4.398843 10.792593 1 2074 1 +ATOM C CB . SER B0 2 50 . 50 SER B0 CB 0 9.26874 3.1764047 12.5448 1 2075 1 +ATOM O OG . SER B0 2 50 . 50 SER B0 OG 0 9.948677 1.9618063 12.826004 1 2076 1 +ATOM N N . SER B0 2 51 . 51 SER B0 N 0 10.760825 2.7162097 9.347967 1 2077 1 +ATOM C CA . SER B0 2 51 . 51 SER B0 CA 0 12.067398 2.8212984 8.703398 1 2078 1 +ATOM C C . SER B0 2 51 . 51 SER B0 C 0 12.0637045 3.957937 7.678949 1 2079 1 +ATOM O O . SER B0 2 51 . 51 SER B0 O 0 11.274303 3.9523668 6.7336016 1 2080 1 +ATOM C CB . SER B0 2 51 . 51 SER B0 CB 0 12.442953 1.5060444 8.032522 1 2081 1 +ATOM O OG . SER B0 2 51 . 51 SER B0 OG 0 12.583643 0.46108872 8.977187 1 2082 1 +ATOM N N . LEU B0 2 52 . 52 LEU B0 N 0 12.952715 4.9346933 7.8619905 1 2083 1 +ATOM C CA . LEU B0 2 52 . 52 LEU B0 CA 0 13.03723 6.088833 6.9799542 1 2084 1 +ATOM C C . LEU B0 2 52 . 52 LEU B0 C 0 13.826747 5.7265086 5.726383 1 2085 1 +ATOM O O . LEU B0 2 52 . 52 LEU B0 O 0 14.95013 5.2424593 5.815036 1 2086 1 +ATOM C CB . LEU B0 2 52 . 52 LEU B0 CB 0 13.712742 7.2498274 7.7081485 1 2087 1 +ATOM C CG . LEU B0 2 52 . 52 LEU B0 CG 0 13.625193 8.645042 7.0775347 1 2088 1 +ATOM C CD1 . LEU B0 2 52 . 52 LEU B0 CD1 0 14.542204 9.610895 7.799282 1 2089 1 +ATOM C CD2 . LEU B0 2 52 . 52 LEU B0 CD2 0 12.186525 9.140576 7.081679 1 2090 1 +ATOM N N . GLU B0 2 53 . 53 GLU B0 N 0 13.210892 5.9548817 4.5464025 1 2091 1 +ATOM C CA . GLU B0 2 53 . 53 GLU B0 CA 0 13.897266 5.6652265 3.2923117 1 2092 1 +ATOM C C . GLU B0 2 53 . 53 GLU B0 C 0 15.1075325 6.579934 3.137116 1 2093 1 +ATOM O O . GLU B0 2 53 . 53 GLU B0 O 0 15.092401 7.735535 3.5737247 1 2094 1 +ATOM C CB . GLU B0 2 53 . 53 GLU B0 CB 0 12.930938 5.855308 2.1091094 1 2095 1 +ATOM C CG . GLU B0 2 53 . 53 GLU B0 CG 0 13.581403 5.7237477 0.7252933 1 2096 1 +ATOM C CD . GLU B0 2 53 . 53 GLU B0 CD 0 13.985275 4.312632 0.34962353 1 2097 1 +ATOM O OE1 . GLU B0 2 53 . 53 GLU B0 OE1 0 14.349333 3.511189 1.237694 1 2098 1 +ATOM O OE2 . GLU B0 2 53 . 53 GLU B0 OE2 0 13.957596 3.9968448 -0.8535757 1 2099 1 +ATOM N N . SER B0 2 54 . 54 SER B0 N 0 16.16231 6.073816 2.5184116 1 2100 1 +ATOM C CA . SER B0 2 54 . 54 SER B0 CA 0 17.386925 6.832459 2.3105433 1 2101 1 +ATOM C C . SER B0 2 54 . 54 SER B0 C 0 17.087072 8.139481 1.5685608 1 2102 1 +ATOM O O . SER B0 2 54 . 54 SER B0 O 0 16.37532 8.138604 0.56150424 1 2103 1 +ATOM C CB . SER B0 2 54 . 54 SER B0 CB 0 18.397766 5.998868 1.522632 1 2104 1 +ATOM O OG . SER B0 2 54 . 54 SER B0 OG 0 19.595798 6.712778 1.2989719 1 2105 1 +ATOM N N . GLY B0 2 55 . 55 GLY B0 N 0 17.622696 9.236413 2.0620604 1 2106 1 +ATOM C CA . GLY B0 2 55 . 55 GLY B0 CA 0 17.430975 10.530142 1.4428895 1 2107 1 +ATOM C C . GLY B0 2 55 . 55 GLY B0 C 0 16.228432 11.307518 1.93434 1 2108 1 +ATOM O O . GLY B0 2 55 . 55 GLY B0 O 0 16.09153 12.493047 1.6071184 1 2109 1 +ATOM N N . VAL B0 2 56 . 56 VAL B0 N 0 15.34893 10.666255 2.699044 1 2110 1 +ATOM C CA . VAL B0 2 56 . 56 VAL B0 CA 0 14.158459 11.338991 3.2180705 1 2111 1 +ATOM C C . VAL B0 2 56 . 56 VAL B0 C 0 14.533917 12.098265 4.4948273 1 2112 1 +ATOM O O . VAL B0 2 56 . 56 VAL B0 O 0 15.209597 11.552652 5.3685055 1 2113 1 +ATOM C CB . VAL B0 2 56 . 56 VAL B0 CB 0 13.027629 10.331257 3.5050426 1 2114 1 +ATOM C CG1 . VAL B0 2 56 . 56 VAL B0 CG1 0 11.832414 11.026358 4.1378126 1 2115 1 +ATOM C CG2 . VAL B0 2 56 . 56 VAL B0 CG2 0 12.623126 9.62454 2.2119427 1 2116 1 +ATOM N N . PRO B0 2 57 . 57 PRO B0 N 0 14.115383 13.386902 4.6194015 1 2117 1 +ATOM C CA . PRO B0 2 57 . 57 PRO B0 CA 0 14.462883 14.187628 5.7979803 1 2118 1 +ATOM C C . PRO B0 2 57 . 57 PRO B0 C 0 13.98244 13.55074 7.1020036 1 2119 1 +ATOM O O . PRO B0 2 57 . 57 PRO B0 O 0 12.919649 12.927868 7.150028 1 2120 1 +ATOM C CB . PRO B0 2 57 . 57 PRO B0 CB 0 13.751386 15.523968 5.53998 1 2121 1 +ATOM C CG . PRO B0 2 57 . 57 PRO B0 CG 0 13.630404 15.602279 4.053454 1 2122 1 +ATOM C CD . PRO B0 2 57 . 57 PRO B0 CD 0 13.367769 14.179725 3.62219 1 2123 1 +ATOM N N . SER B0 2 58 . 58 SER B0 N 0 14.762397 13.733267 8.167223 1 2124 1 +ATOM C CA . SER B0 2 58 . 58 SER B0 CA 0 14.464825 13.140503 9.4639 1 2125 1 +ATOM C C . SER B0 2 58 . 58 SER B0 C 0 13.226845 13.723068 10.141249 1 2126 1 +ATOM O O . SER B0 2 58 . 58 SER B0 O 0 12.779194 13.17746 11.158352 1 2127 1 +ATOM C CB . SER B0 2 58 . 58 SER B0 CB 0 15.670364 13.281795 10.403258 1 2128 1 +ATOM O OG . SER B0 2 58 . 58 SER B0 OG 0 16.010246 14.641906 10.59529 1 2129 1 +ATOM N N . ARG B0 2 59 . 59 ARG B0 N 0 12.658056 14.809209 9.599863 1 2130 1 +ATOM C CA . ARG B0 2 59 . 59 ARG B0 CA 0 11.435595 15.350775 10.182659 1 2131 1 +ATOM C C . ARG B0 2 59 . 59 ARG B0 C 0 10.240677 14.436726 9.931873 1 2132 1 +ATOM O O . ARG B0 2 59 . 59 ARG B0 O 0 9.211136 14.581453 10.591427 1 2133 1 +ATOM C CB . ARG B0 2 59 . 59 ARG B0 CB 0 11.148089 16.765709 9.6657505 1 2134 1 +ATOM C CG . ARG B0 2 59 . 59 ARG B0 CG 0 10.854637 16.852848 8.185476 1 2135 1 +ATOM C CD . ARG B0 2 59 . 59 ARG B0 CD 0 10.625111 18.309387 7.79373 1 2136 1 +ATOM N NE . ARG B0 2 59 . 59 ARG B0 NE 0 10.443959 18.479061 6.341549 1 2137 1 +ATOM C CZ . ARG B0 2 59 . 59 ARG B0 CZ 0 11.464182 18.614748 5.4923763 1 2138 1 +ATOM N NH1 . ARG B0 2 59 . 59 ARG B0 NH1 0 12.723423 18.59681 5.9349976 1 2139 1 +ATOM N NH2 . ARG B0 2 59 . 59 ARG B0 NH2 0 11.222045 18.749876 4.209423 1 2140 1 +ATOM N N . PHE B0 2 60 . 60 PHE B0 N 0 10.379833 13.470922 8.988512 1 2141 1 +ATOM C CA . PHE B0 2 60 . 60 PHE B0 CA 0 9.341981 12.473948 8.752086 1 2142 1 +ATOM C C . PHE B0 2 60 . 60 PHE B0 C 0 9.580027 11.267843 9.661507 1 2143 1 +ATOM O O . PHE B0 2 60 . 60 PHE B0 O 0 10.704707 10.786076 9.771503 1 2144 1 +ATOM C CB . PHE B0 2 60 . 60 PHE B0 CB 0 9.364914 12.003328 7.2942843 1 2145 1 +ATOM C CG . PHE B0 2 60 . 60 PHE B0 CG 0 8.905815 13.034331 6.3069386 1 2146 1 +ATOM C CD1 . PHE B0 2 60 . 60 PHE B0 CD1 0 9.825168 13.854906 5.664352 1 2147 1 +ATOM C CD2 . PHE B0 2 60 . 60 PHE B0 CD2 0 7.560935 13.178141 6.011902 1 2148 1 +ATOM C CE1 . PHE B0 2 60 . 60 PHE B0 CE1 0 9.406764 14.806209 4.745489 1 2149 1 +ATOM C CE2 . PHE B0 2 60 . 60 PHE B0 CE2 0 7.1351767 14.129728 5.0894003 1 2150 1 +ATOM C CZ . PHE B0 2 60 . 60 PHE B0 CZ 0 8.061197 14.93969 4.454969 1 2151 1 +ATOM N N . SER B0 2 61 . 61 SER B0 N 0 8.520073 10.791063 10.293502 1 2152 1 +ATOM C CA . SER B0 2 61 . 61 SER B0 CA 0 8.633272 9.603141 11.132033 1 2153 1 +ATOM C C . SER B0 2 61 . 61 SER B0 C 0 7.322243 8.825812 11.109219 1 2154 1 +ATOM O O . SER B0 2 61 . 61 SER B0 O 0 6.25244 9.401539 10.902639 1 2155 1 +ATOM C CB . SER B0 2 61 . 61 SER B0 CB 0 9.001823 9.961697 12.576527 1 2156 1 +ATOM O OG . SER B0 2 61 . 61 SER B0 OG 0 7.9691234 10.701036 13.197443 1 2157 1 +ATOM N N . GLY B0 2 62 . 62 GLY B0 N 0 7.417398 7.514574 11.264872 1 2158 1 +ATOM C CA . GLY B0 2 62 . 62 GLY B0 CA 0 6.242929 6.660001 11.3025055 1 2159 1 +ATOM C C . GLY B0 2 62 . 62 GLY B0 C 0 6.217813 5.8583302 12.5853405 1 2160 1 +ATOM O O . GLY B0 2 62 . 62 GLY B0 O 0 7.2583003 5.5499663 13.16631 1 2161 1 +ATOM N N . SER B0 2 63 . 63 SER B0 N 0 5.0169077 5.5236335 13.046158 1 2162 1 +ATOM C CA . SER B0 2 63 . 63 SER B0 CA 0 4.8645 4.739292 14.261345 1 2163 1 +ATOM C C . SER B0 2 63 . 63 SER B0 C 0 3.5805092 3.925951 14.1884775 1 2164 1 +ATOM O O . SER B0 2 63 . 63 SER B0 O 0 2.748492 4.1371922 13.300997 1 2165 1 +ATOM C CB . SER B0 2 63 . 63 SER B0 CB 0 4.8528104 5.6383944 15.506693 1 2166 1 +ATOM O OG . SER B0 2 63 . 63 SER B0 OG 0 3.7239637 6.485195 15.503904 1 2167 1 +ATOM N N . GLY B0 2 64 . 64 GLY B0 N 0 3.4285188 2.9964273 15.1270485 1 2168 1 +ATOM C CA . GLY B0 2 64 . 64 GLY B0 CA 0 2.2284222 2.1861105 15.19182 1 2169 1 +ATOM C C . GLY B0 2 64 . 64 GLY B0 C 0 2.5331159 0.70309263 15.127796 1 2170 1 +ATOM O O . GLY B0 2 64 . 64 GLY B0 O 0 3.6610718 0.29439056 14.873443 1 2171 1 +ATOM N N . SER B0 2 65 . 65 SER B0 N 0 1.5098861 -0.08243804 15.354128 1 2172 1 +ATOM C CA . SER B0 2 65 . 65 SER B0 CA 0 1.6289668 -1.5382233 15.304238 1 2173 1 +ATOM C C . SER B0 2 65 . 65 SER B0 C 0 0.2347857 -2.1478035 15.214392 1 2174 1 +ATOM O O . SER B0 2 65 . 65 SER B0 O 0 -0.7230101 -1.6092489 15.77286 1 2175 1 +ATOM C CB . SER B0 2 65 . 65 SER B0 CB 0 2.3511744 -2.0672135 16.537046 1 2176 1 +ATOM O OG . SER B0 2 65 . 65 SER B0 OG 0 2.465026 -3.4790244 16.510344 1 2177 1 +ATOM N N . GLY B0 2 66 . 66 GLY B0 N 0 0.13227572 -3.2727146 14.502009 1 2178 1 +ATOM C CA . GLY B0 2 66 . 66 GLY B0 CA 0 -1.1274959 -3.9880326 14.436193 1 2179 1 +ATOM C C . GLY B0 2 66 . 66 GLY B0 C 0 -2.1394825 -3.3770275 13.484894 1 2180 1 +ATOM O O . GLY B0 2 66 . 66 GLY B0 O 0 -2.1569905 -3.7005234 12.292292 1 2181 1 +ATOM N N . THR B0 2 67 . 67 THR B0 N 0 -2.9866276 -2.48263 14.0084095 1 2182 1 +ATOM C CA . THR B0 2 67 . 67 THR B0 CA 0 -4.0406923 -1.8851032 13.206667 1 2183 1 +ATOM C C . THR B0 2 67 . 67 THR B0 C 0 -4.0100665 -0.36224842 13.154258 1 2184 1 +ATOM O O . THR B0 2 67 . 67 THR B0 O 0 -4.71455 0.23090616 12.32847 1 2185 1 +ATOM C CB . THR B0 2 67 . 67 THR B0 CB 0 -5.4360666 -2.3090608 13.717073 1 2186 1 +ATOM O OG1 . THR B0 2 67 . 67 THR B0 OG1 0 -5.598859 -1.8808833 15.072231 1 2187 1 +ATOM C CG2 . THR B0 2 67 . 67 THR B0 CG2 0 -5.612795 -3.8260362 13.647627 1 2188 1 +ATOM N N . ASP B0 2 68 . 68 ASP B0 N 0 -3.2217402 0.287933 14.008965 1 2189 1 +ATOM C CA . ASP B0 2 68 . 68 ASP B0 CA 0 -3.2057462 1.7456993 14.072398 1 2190 1 +ATOM C C . ASP B0 2 68 . 68 ASP B0 C 0 -1.8069046 2.2994308 13.806575 1 2191 1 +ATOM O O . ASP B0 2 68 . 68 ASP B0 O 0 -0.8578025 1.9519659 14.503325 1 2192 1 +ATOM C CB . ASP B0 2 68 . 68 ASP B0 CB 0 -3.7162728 2.2326236 15.435823 1 2193 1 +ATOM C CG . ASP B0 2 68 . 68 ASP B0 CG 0 -5.1815453 1.8810508 15.662521 1 2194 1 +ATOM O OD1 . ASP B0 2 68 . 68 ASP B0 OD1 0 -5.465563 1.0749273 16.571945 1 2195 1 +ATOM O OD2 . ASP B0 2 68 . 68 ASP B0 OD2 0 -6.034931 2.4055042 14.916378 1 2196 1 +ATOM N N . PHE B0 2 69 . 69 PHE B0 N 0 -1.7039936 3.1695037 12.794836 1 2197 1 +ATOM C CA . PHE B0 2 69 . 69 PHE B0 CA 0 -0.41623217 3.7058377 12.373609 1 2198 1 +ATOM C C . PHE B0 2 69 . 69 PHE B0 C 0 -0.49662694 5.209333 12.148019 1 2199 1 +ATOM O O . PHE B0 2 69 . 69 PHE B0 O 0 -1.5633659 5.7355504 11.831357 1 2200 1 +ATOM C CB . PHE B0 2 69 . 69 PHE B0 CB 0 0.046039656 3.0127206 11.085601 1 2201 1 +ATOM C CG . PHE B0 2 69 . 69 PHE B0 CG 0 0.084806055 1.5204041 11.191276 1 2202 1 +ATOM C CD1 . PHE B0 2 69 . 69 PHE B0 CD1 0 -1.0430496 0.757614 10.90847 1 2203 1 +ATOM C CD2 . PHE B0 2 69 . 69 PHE B0 CD2 0 1.237422 0.86977947 11.603983 1 2204 1 +ATOM C CE1 . PHE B0 2 69 . 69 PHE B0 CE1 0 -1.0247458 -0.6238325 11.033842 1 2205 1 +ATOM C CE2 . PHE B0 2 69 . 69 PHE B0 CE2 0 1.2649133 -0.5088304 11.729616 1 2206 1 +ATOM C CZ . PHE B0 2 69 . 69 PHE B0 CZ 0 0.13344626 -1.2556129 11.441757 1 2207 1 +ATOM N N . THR B0 2 70 . 70 THR B0 N 0 0.6395481 5.8940525 12.310675 1 2208 1 +ATOM C CA . THR B0 2 70 . 70 THR B0 CA 0 0.66978425 7.3327208 12.092606 1 2209 1 +ATOM C C . THR B0 2 70 . 70 THR B0 C 0 1.9364146 7.750462 11.345543 1 2210 1 +ATOM O O . THR B0 2 70 . 70 THR B0 O 0 2.9917593 7.13878 11.497219 1 2211 1 +ATOM C CB . THR B0 2 70 . 70 THR B0 CB 0 0.60617244 8.124684 13.417095 1 2212 1 +ATOM O OG1 . THR B0 2 70 . 70 THR B0 OG1 0 1.7397338 7.7987323 14.222578 1 2213 1 +ATOM C CG2 . THR B0 2 70 . 70 THR B0 CG2 0 -0.6758942 7.8338842 14.175402 1 2214 1 +ATOM N N . LEU B0 2 71 . 71 LEU B0 N 0 1.785713 8.796536 10.526766 1 2215 1 +ATOM C CA . LEU B0 2 71 . 71 LEU B0 CA 0 2.9030056 9.470392 9.885959 1 2216 1 +ATOM C C . LEU B0 2 71 . 71 LEU B0 C 0 2.9667025 10.857065 10.504415 1 2217 1 +ATOM O O . LEU B0 2 71 . 71 LEU B0 O 0 1.9375515 11.546188 10.587806 1 2218 1 +ATOM C CB . LEU B0 2 71 . 71 LEU B0 CB 0 2.6933608 9.595684 8.371645 1 2219 1 +ATOM C CG . LEU B0 2 71 . 71 LEU B0 CG 0 3.736249 10.442877 7.62288 1 2220 1 +ATOM C CD1 . LEU B0 2 71 . 71 LEU B0 CD1 0 3.2545805 10.771084 6.211539 1 2221 1 +ATOM C CD2 . LEU B0 2 71 . 71 LEU B0 CD2 0 5.08613 9.7313595 7.5819263 1 2222 1 +ATOM N N . THR B0 2 72 . 72 THR B0 N 0 4.1418295 11.25404 10.968956 1 2223 1 +ATOM C CA . THR B0 2 72 . 72 THR B0 CA 0 4.29645 12.560643 11.597023 1 2224 1 +ATOM C C . THR B0 2 72 . 72 THR B0 C 0 5.3672233 13.3787365 10.876362 1 2225 1 +ATOM O O . THR B0 2 72 . 72 THR B0 O 0 6.4328647 12.859262 10.546502 1 2226 1 +ATOM C CB . THR B0 2 72 . 72 THR B0 CB 0 4.678515 12.420372 13.082691 1 2227 1 +ATOM O OG1 . THR B0 2 72 . 72 THR B0 OG1 0 3.6427507 11.724662 13.784447 1 2228 1 +ATOM C CG2 . THR B0 2 72 . 72 THR B0 CG2 0 4.88236 13.788347 13.731385 1 2229 1 +ATOM N N . ILE B0 2 73 . 73 ILE B0 N 0 5.0465746 14.640003 10.592962 1 2230 1 +ATOM C CA . ILE B0 2 73 . 73 ILE B0 CA 0 6.022809 15.597701 10.080706 1 2231 1 +ATOM C C . ILE B0 2 73 . 73 ILE B0 C 0 6.225441 16.584795 11.230993 1 2232 1 +ATOM O O . ILE B0 2 73 . 73 ILE B0 O 0 5.3147297 17.355244 11.554592 1 2233 1 +ATOM C CB . ILE B0 2 73 . 73 ILE B0 CB 0 5.519644 16.33181 8.819779 1 2234 1 +ATOM C CG1 . ILE B0 2 73 . 73 ILE B0 CG1 0 4.977193 15.327584 7.794464 1 2235 1 +ATOM C CG2 . ILE B0 2 73 . 73 ILE B0 CG2 0 6.6540694 17.162544 8.217923 1 2236 1 +ATOM C CD1 . ILE B0 2 73 . 73 ILE B0 CD1 0 4.3492374 15.978579 6.5589542 1 2237 1 +ATOM N N . SER B0 2 74 . 74 SER B0 N 0 7.389402 16.524261 11.862053 1 2238 1 +ATOM C CA . SER B0 2 74 . 74 SER B0 CA 0 7.638645 17.294073 13.080925 1 2239 1 +ATOM C C . SER B0 2 74 . 74 SER B0 C 0 7.64803 18.804522 12.870644 1 2240 1 +ATOM O O . SER B0 2 74 . 74 SER B0 O 0 7.247046 19.554861 13.767839 1 2241 1 +ATOM C CB . SER B0 2 74 . 74 SER B0 CB 0 8.968483 16.868996 13.7053 1 2242 1 +ATOM O OG . SER B0 2 74 . 74 SER B0 OG 0 10.041949 17.1496 12.828387 1 2243 1 +ATOM N N . SER B0 2 75 . 75 SER B0 N 0 8.0903225 19.264727 11.7102585 1 2244 1 +ATOM C CA . SER B0 2 75 . 75 SER B0 CA 0 8.1490555 20.693605 11.394127 1 2245 1 +ATOM C C . SER B0 2 75 . 75 SER B0 C 0 7.926542 20.864403 9.889882 1 2246 1 +ATOM O O . SER B0 2 75 . 75 SER B0 O 0 8.856073 20.726936 9.100457 1 2247 1 +ATOM C CB . SER B0 2 75 . 75 SER B0 CB 0 9.494458 21.29208 11.81706 1 2248 1 +ATOM O OG . SER B0 2 75 . 75 SER B0 OG 0 9.526328 22.698267 11.587564 1 2249 1 +ATOM N N . LEU B0 2 76 . 76 LEU B0 N 0 6.6761227 21.150684 9.516511 1 2250 1 +ATOM C CA . LEU B0 2 76 . 76 LEU B0 CA 0 6.2790766 21.220306 8.109359 1 2251 1 +ATOM C C . LEU B0 2 76 . 76 LEU B0 C 0 7.0984483 22.257465 7.334753 1 2252 1 +ATOM O O . LEU B0 2 76 . 76 LEU B0 O 0 7.2827244 23.3897 7.7935123 1 2253 1 +ATOM C CB . LEU B0 2 76 . 76 LEU B0 CB 0 4.790559 21.553522 8.01626 1 2254 1 +ATOM C CG . LEU B0 2 76 . 76 LEU B0 CG 0 4.0742283 21.217989 6.708471 1 2255 1 +ATOM C CD1 . LEU B0 2 76 . 76 LEU B0 CD1 0 2.6712189 21.811388 6.7436743 1 2256 1 +ATOM C CD2 . LEU B0 2 76 . 76 LEU B0 CD2 0 4.0188985 19.712288 6.499344 1 2257 1 +ATOM N N . GLN B0 2 77 . 77 GLN B0 N 0 7.5797825 21.844862 6.1619563 1 2258 1 +ATOM C CA . GLN B0 2 77 . 77 GLN B0 CA 0 8.356526 22.713121 5.284382 1 2259 1 +ATOM C C . GLN B0 2 77 . 77 GLN B0 C 0 7.5721684 22.975353 3.9998322 1 2260 1 +ATOM O O . GLN B0 2 77 . 77 GLN B0 O 0 6.646448 22.219786 3.6680663 1 2261 1 +ATOM C CB . GLN B0 2 77 . 77 GLN B0 CB 0 9.7140255 22.07275 4.9610033 1 2262 1 +ATOM C CG . GLN B0 2 77 . 77 GLN B0 CG 0 10.584683 21.825243 6.1900377 1 2263 1 +ATOM C CD . GLN B0 2 77 . 77 GLN B0 CD 0 10.878235 23.103218 6.95337 1 2264 1 +ATOM O OE1 . GLN B0 2 77 . 77 GLN B0 OE1 0 11.396696 24.070107 6.409233 1 2265 1 +ATOM N NE2 . GLN B0 2 77 . 77 GLN B0 NE2 0 10.51576 23.120464 8.235162 1 2266 1 +ATOM N N . PRO B0 2 78 . 78 PRO B0 N 0 7.910253 24.046581 3.25204 1 2267 1 +ATOM C CA . PRO B0 2 78 . 78 PRO B0 CA 0 7.165266 24.368288 2.025665 1 2268 1 +ATOM C C . PRO B0 2 78 . 78 PRO B0 C 0 7.081322 23.208286 1.0412583 1 2269 1 +ATOM O O . PRO B0 2 78 . 78 PRO B0 O 0 6.051197 23.028418 0.38957065 1 2270 1 +ATOM C CB . PRO B0 2 78 . 78 PRO B0 CB 0 7.954585 25.546001 1.4464107 1 2271 1 +ATOM C CG . PRO B0 2 78 . 78 PRO B0 CG 0 8.5390835 26.218945 2.6405132 1 2272 1 +ATOM C CD . PRO B0 2 78 . 78 PRO B0 CD 0 8.91818 25.082344 3.5522857 1 2273 1 +ATOM N N . GLU B0 2 79 . 79 GLU B0 N 0 8.14209 22.398735 0.9290466 1 2274 1 +ATOM C CA . GLU B0 2 79 . 79 GLU B0 CA 0 8.155109 21.287365 -0.019411922 1 2275 1 +ATOM C C . GLU B0 2 79 . 79 GLU B0 C 0 7.3345623 20.092834 0.45641303 1 2276 1 +ATOM O O . GLU B0 2 79 . 79 GLU B0 O 0 7.206183 19.105515 -0.27377456 1 2277 1 +ATOM C CB . GLU B0 2 79 . 79 GLU B0 CB 0 9.600206 20.844368 -0.30704027 1 2278 1 +ATOM C CG . GLU B0 2 79 . 79 GLU B0 CG 0 10.362884 20.327278 0.91352105 1 2279 1 +ATOM C CD . GLU B0 2 79 . 79 GLU B0 CD 0 11.19701 21.396042 1.5822109 1 2280 1 +ATOM O OE1 . GLU B0 2 79 . 79 GLU B0 OE1 0 10.78356 22.586151 1.5892087 1 2281 1 +ATOM O OE2 . GLU B0 2 79 . 79 GLU B0 OE2 0 12.268844 21.059145 2.1299653 1 2282 1 +ATOM N N . ASP B0 2 80 . 80 ASP B0 N 0 6.7770853 20.145239 1.667984 1 2283 1 +ATOM C CA . ASP B0 2 80 . 80 ASP B0 CA 0 6.008415 19.039425 2.2202656 1 2284 1 +ATOM C C . ASP B0 2 80 . 80 ASP B0 C 0 4.517821 19.102722 1.887007 1 2285 1 +ATOM O O . ASP B0 2 80 . 80 ASP B0 O 0 3.7854037 18.170876 2.2185984 1 2286 1 +ATOM C CB . ASP B0 2 80 . 80 ASP B0 CB 0 6.173475 18.97874 3.745385 1 2287 1 +ATOM C CG . ASP B0 2 80 . 80 ASP B0 CG 0 7.6153455 18.77932 4.166604 1 2288 1 +ATOM O OD1 . ASP B0 2 80 . 80 ASP B0 OD1 0 8.418173 18.277733 3.3452804 1 2289 1 +ATOM O OD2 . ASP B0 2 80 . 80 ASP B0 OD2 0 7.945552 19.131853 5.3151636 1 2290 1 +ATOM N N . PHE B0 2 81 . 81 PHE B0 N 0 4.059802 20.179644 1.2484232 1 2291 1 +ATOM C CA . PHE B0 2 81 . 81 PHE B0 CA 0 2.6580691 20.266272 0.874794 1 2292 1 +ATOM C C . PHE B0 2 81 . 81 PHE B0 C 0 2.4273765 19.366032 -0.3386739 1 2293 1 +ATOM O O . PHE B0 2 81 . 81 PHE B0 O 0 2.951915 19.612358 -1.4141979 1 2294 1 +ATOM C CB . PHE B0 2 81 . 81 PHE B0 CB 0 2.2641225 21.721817 0.60048366 1 2295 1 +ATOM C CG . PHE B0 2 81 . 81 PHE B0 CG 0 2.2985635 22.565453 1.8441849 1 2296 1 +ATOM C CD1 . PHE B0 2 81 . 81 PHE B0 CD1 0 3.3841944 23.386848 2.1162994 1 2297 1 +ATOM C CD2 . PHE B0 2 81 . 81 PHE B0 CD2 0 1.2514269 22.506166 2.7485394 1 2298 1 +ATOM C CE1 . PHE B0 2 81 . 81 PHE B0 CE1 0 3.4237726 24.135256 3.2797627 1 2299 1 +ATOM C CE2 . PHE B0 2 81 . 81 PHE B0 CE2 0 1.2866226 23.257969 3.9142718 1 2300 1 +ATOM C CZ . PHE B0 2 81 . 81 PHE B0 CZ 0 2.3749824 24.077177 4.184681 1 2301 1 +ATOM N N . ALA B0 2 82 . 82 ALA B0 N 0 1.6584892 18.302116 -0.09964394 1 2302 1 +ATOM C CA . ALA B0 2 82 . 82 ALA B0 CA 0 1.4677552 17.229748 -1.0760689 1 2303 1 +ATOM C C . ALA B0 2 82 . 82 ALA B0 C 0 0.37512213 16.305794 -0.55455196 1 2304 1 +ATOM O O . ALA B0 2 82 . 82 ALA B0 O 0 -0.24173251 16.578901 0.4683478 1 2305 1 +ATOM C CB . ALA B0 2 82 . 82 ALA B0 CB 0 2.7771754 16.45578 -1.2702538 1 2306 1 +ATOM N N . THR B0 2 83 . 83 THR B0 N 0 0.14613333 15.19568 -1.2780212 1 2307 1 +ATOM C CA . THR B0 2 83 . 83 THR B0 CA 0 -0.7984229 14.18683 -0.82544756 1 2308 1 +ATOM C C . THR B0 2 83 . 83 THR B0 C 0 -0.0062368875 12.986426 -0.31854445 1 2309 1 +ATOM O O . THR B0 2 83 . 83 THR B0 O 0 0.9708513 12.564594 -0.940979 1 2310 1 +ATOM C CB . THR B0 2 83 . 83 THR B0 CB 0 -1.7453787 13.757154 -1.9649043 1 2311 1 +ATOM O OG1 . THR B0 2 83 . 83 THR B0 OG1 0 -2.4859061 14.910557 -2.4137325 1 2312 1 +ATOM C CG2 . THR B0 2 83 . 83 THR B0 CG2 0 -2.7343469 12.689528 -1.4918387 1 2313 1 +ATOM N N . TYR B0 2 84 . 84 TYR B0 N 0 -0.41616994 12.441139 0.82698864 1 2314 1 +ATOM C CA . TYR B0 2 84 . 84 TYR B0 CA 0 0.26962954 11.324057 1.4619828 1 2315 1 +ATOM C C . TYR B0 2 84 . 84 TYR B0 C 0 -0.6257752 10.091267 1.4983493 1 2316 1 +ATOM O O . TYR B0 2 84 . 84 TYR B0 O 0 -1.8227102 10.193642 1.7833695 1 2317 1 +ATOM C CB . TYR B0 2 84 . 84 TYR B0 CB 0 0.71694875 11.709114 2.879625 1 2318 1 +ATOM C CG . TYR B0 2 84 . 84 TYR B0 CG 0 1.73931 12.820822 2.8800435 1 2319 1 +ATOM C CD1 . TYR B0 2 84 . 84 TYR B0 CD1 0 1.3497933 14.155063 2.799725 1 2320 1 +ATOM C CD2 . TYR B0 2 84 . 84 TYR B0 CD2 0 3.09867 12.536844 2.9207778 1 2321 1 +ATOM C CE1 . TYR B0 2 84 . 84 TYR B0 CE1 0 2.28728 15.176653 2.7582889 1 2322 1 +ATOM C CE2 . TYR B0 2 84 . 84 TYR B0 CE2 0 4.043326 13.550968 2.8855839 1 2323 1 +ATOM C CZ . TYR B0 2 84 . 84 TYR B0 CZ 0 3.6326432 14.869819 2.8025103 1 2324 1 +ATOM O OH . TYR B0 2 84 . 84 TYR B0 OH 0 4.561858 15.87524 2.7530293 1 2325 1 +ATOM N N . TYR B0 2 85 . 85 TYR B0 N 0 -0.031320248 8.921106 1.1948116 1 2326 1 +ATOM C CA . TYR B0 2 85 . 85 TYR B0 CA 0 -0.760165 7.6585507 1.1798174 1 2327 1 +ATOM C C . TYR B0 2 85 . 85 TYR B0 C 0 -0.07670517 6.614458 2.0527546 1 2328 1 +ATOM O O . TYR B0 2 85 . 85 TYR B0 O 0 1.1499374 6.513111 2.0621548 1 2329 1 +ATOM C CB . TYR B0 2 85 . 85 TYR B0 CB 0 -0.83068323 7.083208 -0.2418207 1 2330 1 +ATOM C CG . TYR B0 2 85 . 85 TYR B0 CG 0 -1.621937 7.897897 -1.2348835 1 2331 1 +ATOM C CD1 . TYR B0 2 85 . 85 TYR B0 CD1 0 -0.9970304 8.838574 -2.0523946 1 2332 1 +ATOM C CD2 . TYR B0 2 85 . 85 TYR B0 CD2 0 -2.9923418 7.7162776 -1.3749673 1 2333 1 +ATOM C CE1 . TYR B0 2 85 . 85 TYR B0 CE1 0 -1.7196074 9.58202 -2.9693336 1 2334 1 +ATOM C CE2 . TYR B0 2 85 . 85 TYR B0 CE2 0 -3.7221622 8.458263 -2.2918663 1 2335 1 +ATOM C CZ . TYR B0 2 85 . 85 TYR B0 CZ 0 -3.0811038 9.385478 -3.089713 1 2336 1 +ATOM O OH . TYR B0 2 85 . 85 TYR B0 OH 0 -3.793343 10.117043 -3.9945595 1 2337 1 +ATOM N N . CYS B0 2 86 . 86 CYS B0 N 0 -0.8756623 5.8358517 2.7866902 1 2338 1 +ATOM C CA . CYS B0 2 86 . 86 CYS B0 CA 0 -0.34706375 4.6639624 3.472886 1 2339 1 +ATOM C C . CYS B0 2 86 . 86 CYS B0 C 0 -0.6442957 3.4502769 2.6003163 1 2340 1 +ATOM O O . CYS B0 2 86 . 86 CYS B0 O 0 -1.5064408 3.492827 1.7180237 1 2341 1 +ATOM C CB . CYS B0 2 86 . 86 CYS B0 CB 0 -0.96839905 4.491849 4.8718185 1 2342 1 +ATOM S SG . CYS B0 2 86 . 86 CYS B0 SG 0 -2.7501493 4.338026 4.9168262 1 2343 1 +ATOM N N . GLN B0 2 87 . 87 GLN B0 N 0 0.109703735 2.3738198 2.7990818 1 2344 1 +ATOM C CA . GLN B0 2 87 . 87 GLN B0 CA 0 -0.038386635 1.1635756 1.9950074 1 2345 1 +ATOM C C . GLN B0 2 87 . 87 GLN B0 C 0 0.32062525 -0.05488569 2.8327734 1 2346 1 +ATOM O O . GLN B0 2 87 . 87 GLN B0 O 0 1.3127947 -0.033231232 3.55916 1 2347 1 +ATOM C CB . GLN B0 2 87 . 87 GLN B0 CB 0 0.8581636 1.2275188 0.7588371 1 2348 1 +ATOM C CG . GLN B0 2 87 . 87 GLN B0 CG 0 0.9366735 -0.08630969 -0.036225095 1 2349 1 +ATOM C CD . GLN B0 2 87 . 87 GLN B0 CD 0 2.2922425 -0.7633519 0.1037204 1 2350 1 +ATOM O OE1 . GLN B0 2 87 . 87 GLN B0 OE1 0 3.308957 -0.20714366 -0.297767 1 2351 1 +ATOM N NE2 . GLN B0 2 87 . 87 GLN B0 NE2 0 2.3111224 -1.9539568 0.6966783 1 2352 1 +ATOM N N . GLN B0 2 88 . 88 GLN B0 N 0 -0.5241989 -1.0969675 2.7539248 1 2353 1 +ATOM C CA . GLN B0 2 88 . 88 GLN B0 CA 0 -0.22972953 -2.3362184 3.4493768 1 2354 1 +ATOM C C . GLN B0 2 88 . 88 GLN B0 C 0 -0.072270736 -3.4682822 2.4355328 1 2355 1 +ATOM O O . GLN B0 2 88 . 88 GLN B0 O 0 -0.67563665 -3.4408948 1.365885 1 2356 1 +ATOM C CB . GLN B0 2 88 . 88 GLN B0 CB 0 -1.3254957 -2.6853774 4.4680066 1 2357 1 +ATOM C CG . GLN B0 2 88 . 88 GLN B0 CG 0 -2.6876183 -3.0311573 3.8773558 1 2358 1 +ATOM C CD . GLN B0 2 88 . 88 GLN B0 CD 0 -2.83674 -4.505767 3.5099168 1 2359 1 +ATOM O OE1 . GLN B0 2 88 . 88 GLN B0 OE1 0 -2.086406 -5.361803 3.9731321 1 2360 1 +ATOM N NE2 . GLN B0 2 88 . 88 GLN B0 NE2 0 -3.8066974 -4.8016405 2.648552 1 2361 1 +ATOM N N . PHE B0 2 89 . 89 PHE B0 N 0 0.7708706 -4.4508386 2.780508 1 2362 1 +ATOM C CA . PHE B0 2 89 . 89 PHE B0 CA 0 0.9683761 -5.652925 1.9715352 1 2363 1 +ATOM C C . PHE B0 2 89 . 89 PHE B0 C 0 0.7889677 -6.855738 2.8911543 1 2364 1 +ATOM O O . PHE B0 2 89 . 89 PHE B0 O 0 1.3984101 -6.9049015 3.9619126 1 2365 1 +ATOM C CB . PHE B0 2 89 . 89 PHE B0 CB 0 2.3685684 -5.6711087 1.3628372 1 2366 1 +ATOM C CG . PHE B0 2 89 . 89 PHE B0 CG 0 2.717994 -6.962776 0.68048644 1 2367 1 +ATOM C CD1 . PHE B0 2 89 . 89 PHE B0 CD1 0 3.7059553 -7.7882757 1.1896166 1 2368 1 +ATOM C CD2 . PHE B0 2 89 . 89 PHE B0 CD2 0 2.0567403 -7.3451405 -0.47414047 1 2369 1 +ATOM C CE1 . PHE B0 2 89 . 89 PHE B0 CE1 0 4.026933 -8.98192 0.56229365 1 2370 1 +ATOM C CE2 . PHE B0 2 89 . 89 PHE B0 CE2 0 2.3737247 -8.536694 -1.1077474 1 2371 1 +ATOM C CZ . PHE B0 2 89 . 89 PHE B0 CZ 0 3.3633904 -9.362886 -0.58825237 1 2372 1 +ATOM N N . ASN B0 2 90 . 90 ASN B0 N 0 -0.07331644 -7.787886 2.5118606 1 2373 1 +ATOM C CA . ASN B0 2 90 . 90 ASN B0 CA 0 -0.39132366 -8.922534 3.3709707 1 2374 1 +ATOM C C . ASN B0 2 90 . 90 ASN B0 C 0 -0.12615164 -10.272896 2.699741 1 2375 1 +ATOM O O . ASN B0 2 90 . 90 ASN B0 O 0 -0.92485803 -11.206826 2.8292847 1 2376 1 +ATOM C CB . ASN B0 2 90 . 90 ASN B0 CB 0 -1.838627 -8.827543 3.8507447 1 2377 1 +ATOM C CG . ASN B0 2 90 . 90 ASN B0 CG 0 -2.092555 -9.666916 5.0898023 1 2378 1 +ATOM O OD1 . ASN B0 2 90 . 90 ASN B0 OD1 0 -1.1757655 -9.934324 5.861578 1 2379 1 +ATOM N ND2 . ASN B0 2 90 . 90 ASN B0 ND2 0 -3.338512 -10.062885 5.294653 1 2380 1 +ATOM N N . GLY B0 2 91 . 91 GLY B0 N 0 0.9847925 -10.400324 1.9976735 1 2381 1 +ATOM C CA . GLY B0 2 91 . 91 GLY B0 CA 0 1.5071342 -11.681094 1.5506074 1 2382 1 +ATOM C C . GLY B0 2 91 . 91 GLY B0 C 0 0.7306196 -12.489811 0.5310742 1 2383 1 +ATOM O O . GLY B0 2 91 . 91 GLY B0 O 0 0.15266943 -11.937313 -0.40859458 1 2384 1 +ATOM N N . TYR B0 2 92 . 92 TYR B0 N 0 0.7308171 -13.847763 0.733931 1 2385 1 +ATOM C CA . TYR B0 2 92 . 92 TYR B0 CA 0 0.12303186 -14.789808 -0.20102102 1 2386 1 +ATOM C C . TYR B0 2 92 . 92 TYR B0 C 0 -1.1235278 -15.426319 0.40549776 1 2387 1 +ATOM O O . TYR B0 2 92 . 92 TYR B0 O 0 -1.051147 -15.986353 1.5093888 1 2388 1 +ATOM C CB . TYR B0 2 92 . 92 TYR B0 CB 0 1.1258221 -15.882848 -0.57134116 1 2389 1 +ATOM C CG . TYR B0 2 92 . 92 TYR B0 CG 0 2.3331397 -15.3845415 -1.3253226 1 2390 1 +ATOM C CD1 . TYR B0 2 92 . 92 TYR B0 CD1 0 3.4780748 -14.978409 -0.6576216 1 2391 1 +ATOM C CD2 . TYR B0 2 92 . 92 TYR B0 CD2 0 2.3355587 -15.318119 -2.7189286 1 2392 1 +ATOM C CE1 . TYR B0 2 92 . 92 TYR B0 CE1 0 4.5856137 -14.517813 -1.3413421 1 2393 1 +ATOM C CE2 . TYR B0 2 92 . 92 TYR B0 CE2 0 3.4295237 -14.858648 -3.4152508 1 2394 1 +ATOM C CZ . TYR B0 2 92 . 92 TYR B0 CZ 0 4.5610857 -14.462214 -2.7290747 1 2395 1 +ATOM O OH . TYR B0 2 92 . 92 TYR B0 OH 0 5.6573434 -14.001746 -3.4150052 1 2396 1 +ATOM N N . PRO B0 2 93 . 93 PRO B0 N 0 -2.27667 -15.416129 -0.3171482 1 2397 1 +ATOM C CA . PRO B0 2 93 . 93 PRO B0 CA 0 -2.445755 -14.686684 -1.5767434 1 2398 1 +ATOM C C . PRO B0 2 93 . 93 PRO B0 C 0 -2.290866 -13.186167 -1.3568892 1 2399 1 +ATOM O O . PRO B0 2 93 . 93 PRO B0 O 0 -2.6300375 -12.664832 -0.2871452 1 2400 1 +ATOM C CB . PRO B0 2 93 . 93 PRO B0 CB 0 -3.8842325 -15.034932 -1.9917288 1 2401 1 +ATOM C CG . PRO B0 2 93 . 93 PRO B0 CG 0 -4.555436 -15.340794 -0.699784 1 2402 1 +ATOM C CD . PRO B0 2 93 . 93 PRO B0 CD 0 -3.5033998 -16.020275 0.15012896 1 2403 1 +ATOM N N . HIS B0 2 94 . 94 HIS B0 N 0 -1.7237883 -12.497112 -2.3704853 1 2404 1 +ATOM C CA . HIS B0 2 94 . 94 HIS B0 CA 0 -1.4176447 -11.076683 -2.228643 1 2405 1 +ATOM C C . HIS B0 2 94 . 94 HIS B0 C 0 -2.6374578 -10.251385 -1.8310192 1 2406 1 +ATOM O O . HIS B0 2 94 . 94 HIS B0 O 0 -3.7097535 -10.377258 -2.431162 1 2407 1 +ATOM C CB . HIS B0 2 94 . 94 HIS B0 CB 0 -0.81305385 -10.52318 -3.5230873 1 2408 1 +ATOM C CG . HIS B0 2 94 . 94 HIS B0 CG 0 0.6375667 -10.861397 -3.698608 1 2409 1 +ATOM N ND1 . HIS B0 2 94 . 94 HIS B0 ND1 0 1.064259 -12.137707 -4.0168047 1 2410 1 +ATOM C CD2 . HIS B0 2 94 . 94 HIS B0 CD2 0 1.7510142 -10.104048 -3.6113307 1 2411 1 +ATOM C CE1 . HIS B0 2 94 . 94 HIS B0 CE1 0 2.3913302 -12.135511 -4.10248 1 2412 1 +ATOM N NE2 . HIS B0 2 94 . 94 HIS B0 NE2 0 2.826776 -10.92058 -3.863286 1 2413 1 +ATOM N N . ARG B0 2 95 . 95 ARG B0 N 0 -2.4592776 -9.438707 -0.82498235 1 2414 1 +ATOM C CA . ARG B0 2 95 . 95 ARG B0 CA 0 -3.4553924 -8.487928 -0.36186224 1 2415 1 +ATOM C C . ARG B0 2 95 . 95 ARG B0 C 0 -2.7365289 -7.1669416 -0.13454062 1 2416 1 +ATOM O O . ARG B0 2 95 . 95 ARG B0 O 0 -2.0159183 -7.0035715 0.8542409 1 2417 1 +ATOM C CB . ARG B0 2 95 . 95 ARG B0 CB 0 -4.1252193 -8.95486 0.9350903 1 2418 1 +ATOM C CG . ARG B0 2 95 . 95 ARG B0 CG 0 -4.96941 -10.225489 0.8042841 1 2419 1 +ATOM C CD . ARG B0 2 95 . 95 ARG B0 CD 0 -6.2886224 -9.953831 0.10494324 1 2420 1 +ATOM N NE . ARG B0 2 95 . 95 ARG B0 NE 0 -7.2099814 -11.075478 0.19982384 1 2421 1 +ATOM C CZ . ARG B0 2 95 . 95 ARG B0 CZ 0 -7.2179193 -12.112106 -0.62541926 1 2422 1 +ATOM N NH1 . ARG B0 2 95 . 95 ARG B0 NH1 0 -6.3292727 -12.184406 -1.6198579 1 2423 1 +ATOM N NH2 . ARG B0 2 95 . 95 ARG B0 NH2 0 -8.073917 -13.085474 -0.46945304 1 2424 1 +ATOM N N . LEU B0 2 96 . 96 LEU B0 N 0 -2.8975391 -6.23453 -1.0632116 1 2425 1 +ATOM C CA . LEU B0 2 96 . 96 LEU B0 CA 0 -2.227588 -4.9456444 -0.9903436 1 2426 1 +ATOM C C . LEU B0 2 96 . 96 LEU B0 C 0 -3.2490652 -3.8419147 -1.2253146 1 2427 1 +ATOM O O . LEU B0 2 96 . 96 LEU B0 O 0 -3.9926476 -3.888626 -2.2085314 1 2428 1 +ATOM C CB . LEU B0 2 96 . 96 LEU B0 CB 0 -1.1050051 -4.873114 -2.0384834 1 2429 1 +ATOM C CG . LEU B0 2 96 . 96 LEU B0 CG 0 -0.128386 -3.6939864 -2.0083396 1 2430 1 +ATOM C CD1 . LEU B0 2 96 . 96 LEU B0 CD1 0 1.1785498 -4.0841722 -2.6853473 1 2431 1 +ATOM C CD2 . LEU B0 2 96 . 96 LEU B0 CD2 0 -0.70861626 -2.445846 -2.6647158 1 2432 1 +ATOM N N . THR B0 2 97 . 97 THR B0 N 0 -3.3024733 -2.8958485 -0.322059 1 2433 1 +ATOM C CA . THR B0 2 97 . 97 THR B0 CA 0 -4.2299414 -1.779089 -0.46420798 1 2434 1 +ATOM C C . THR B0 2 97 . 97 THR B0 C 0 -3.566472 -0.4737783 -0.043810956 1 2435 1 +ATOM O O . THR B0 2 97 . 97 THR B0 O 0 -2.6472898 -0.4662795 0.77936375 1 2436 1 +ATOM C CB . THR B0 2 97 . 97 THR B0 CB 0 -5.512308 -1.971603 0.38765004 1 2437 1 +ATOM O OG1 . THR B0 2 97 . 97 THR B0 OG1 0 -5.1525936 -2.2096186 1.7567677 1 2438 1 +ATOM C CG2 . THR B0 2 97 . 97 THR B0 CG2 0 -6.3463445 -3.1410336 -0.13276537 1 2439 1 +ATOM N N . PHE B0 2 98 . 98 PHE B0 N 0 -4.044636 0.62207055 -0.6453943 1 2440 1 +ATOM C CA . PHE B0 2 98 . 98 PHE B0 CA 0 -3.616301 1.9629357 -0.26973754 1 2441 1 +ATOM C C . PHE B0 2 98 . 98 PHE B0 C 0 -4.727228 2.6482778 0.51744384 1 2442 1 +ATOM O O . PHE B0 2 98 . 98 PHE B0 O 0 -5.9080744 2.3429627 0.32517767 1 2443 1 +ATOM C CB . PHE B0 2 98 . 98 PHE B0 CB 0 -3.3150697 2.810104 -1.5112429 1 2444 1 +ATOM C CG . PHE B0 2 98 . 98 PHE B0 CG 0 -2.096868 2.3937275 -2.2782085 1 2445 1 +ATOM C CD1 . PHE B0 2 98 . 98 PHE B0 CD1 0 -2.2044535 1.5394564 -3.3627224 1 2446 1 +ATOM C CD2 . PHE B0 2 98 . 98 PHE B0 CD2 0 -0.84857595 2.8830154 -1.9288161 1 2447 1 +ATOM C CE1 . PHE B0 2 98 . 98 PHE B0 CE1 0 -1.0782254 1.1631749 -4.076841 1 2448 1 +ATOM C CE2 . PHE B0 2 98 . 98 PHE B0 CE2 0 0.28087136 2.513607 -2.6391206 1 2449 1 +ATOM C CZ . PHE B0 2 98 . 98 PHE B0 CZ 0 0.16429122 1.6546069 -3.7162132 1 2450 1 +ATOM N N . GLY B0 2 99 . 99 GLY B0 N 0 -4.3336535 3.5791435 1.3836541 1 2451 1 +ATOM C CA . GLY B0 2 99 . 99 GLY B0 CA 0 -5.3215904 4.41475 2.04177 1 2452 1 +ATOM C C . GLY B0 2 99 . 99 GLY B0 C 0 -5.8607855 5.4232254 1.0356555 1 2453 1 +ATOM O O . GLY B0 2 99 . 99 GLY B0 O 0 -5.331872 5.5737047 -0.068099335 1 2454 1 +ATOM N N . GLY B0 2 100 . 100 GLY B0 N 0 -6.905828 6.1371756 1.4001858 1 2455 1 +ATOM C CA . GLY B0 2 100 . 100 GLY B0 CA 0 -7.5360327 7.1004176 0.5125886 1 2456 1 +ATOM C C . GLY B0 2 100 . 100 GLY B0 C 0 -6.74979 8.367623 0.26701984 1 2457 1 +ATOM O O . GLY B0 2 100 . 100 GLY B0 O 0 -7.0849676 9.142553 -0.62999755 1 2458 1 +ATOM N N . GLY B0 2 101 . 101 GLY B0 N 0 -5.706058 8.588567 1.0386498 1 2459 1 +ATOM C CA . GLY B0 2 101 . 101 GLY B0 CA 0 -4.8666496 9.768217 0.86998975 1 2460 1 +ATOM C C . GLY B0 2 101 . 101 GLY B0 C 0 -5.2251287 10.908525 1.8061737 1 2461 1 +ATOM O O . GLY B0 2 101 . 101 GLY B0 O 0 -6.371562 11.030404 2.2473035 1 2462 1 +ATOM N N . THR B0 2 102 . 102 THR B0 N 0 -4.219583 11.724722 2.1169167 1 2463 1 +ATOM C CA . THR B0 2 102 . 102 THR B0 CA 0 -4.3986063 12.934042 2.9120414 1 2464 1 +ATOM C C . THR B0 2 102 . 102 THR B0 C 0 -3.69354 14.0735655 2.1769927 1 2465 1 +ATOM O O . THR B0 2 102 . 102 THR B0 O 0 -2.4819016 14.020905 1.9603484 1 2466 1 +ATOM C CB . THR B0 2 102 . 102 THR B0 CB 0 -3.7951481 12.7941475 4.320605 1 2467 1 +ATOM O OG1 . THR B0 2 102 . 102 THR B0 OG1 0 -4.499848 11.789579 5.056272 1 2468 1 +ATOM C CG2 . THR B0 2 102 . 102 THR B0 CG2 0 -3.8732696 14.122738 5.07782 1 2469 1 +ATOM N N . LYS B0 2 103 . 103 LYS B0 N 0 -4.461574 15.093219 1.780603 1 2470 1 +ATOM C CA . LYS B0 2 103 . 103 LYS B0 CA 0 -3.894771 16.240116 1.0891061 1 2471 1 +ATOM C C . LYS B0 2 103 . 103 LYS B0 C 0 -3.5460382 17.318903 2.108725 1 2472 1 +ATOM O O . LYS B0 2 103 . 103 LYS B0 O 0 -4.420001 17.784096 2.848822 1 2473 1 +ATOM C CB . LYS B0 2 103 . 103 LYS B0 CB 0 -4.8759627 16.785429 0.047036156 1 2474 1 +ATOM C CG . LYS B0 2 103 . 103 LYS B0 CG 0 -4.274662 17.858612 -0.84633696 1 2475 1 +ATOM C CD . LYS B0 2 103 . 103 LYS B0 CD 0 -5.2377105 18.244114 -1.9676452 1 2476 1 +ATOM C CE . LYS B0 2 103 . 103 LYS B0 CE 0 -4.5976286 19.238922 -2.9207006 1 2477 1 +ATOM N NZ . LYS B0 2 103 . 103 LYS B0 NZ 0 -5.492961 19.578772 -4.0380545 1 2478 1 +ATOM N N . VAL B0 2 104 . 104 VAL B0 N 0 -2.2666945 17.680832 2.1588917 1 2479 1 +ATOM C CA . VAL B0 2 104 . 104 VAL B0 CA 0 -1.8043323 18.70943 3.0869315 1 2480 1 +ATOM C C . VAL B0 2 104 . 104 VAL B0 C 0 -1.6696348 20.00806 2.3081934 1 2481 1 +ATOM O O . VAL B0 2 104 . 104 VAL B0 O 0 -0.86754334 20.103737 1.3792481 1 2482 1 +ATOM C CB . VAL B0 2 104 . 104 VAL B0 CB 0 -0.45922908 18.33304 3.7334907 1 2483 1 +ATOM C CG1 . VAL B0 2 104 . 104 VAL B0 CG1 0 0.0021200741 19.433197 4.679121 1 2484 1 +ATOM C CG2 . VAL B0 2 104 . 104 VAL B0 CG2 0 -0.5876516 16.99992 4.4716663 1 2485 1 +ATOM N N . GLU B0 2 105 . 105 GLU B0 N 0 -2.4612389 21.012545 2.6943347 1 2486 1 +ATOM C CA . GLU B0 2 105 . 105 GLU B0 CA 0 -2.4423008 22.300772 2.001131 1 2487 1 +ATOM C C . GLU B0 2 105 . 105 GLU B0 C 0 -1.986203 23.415806 2.9349713 1 2488 1 +ATOM O O . GLU B0 2 105 . 105 GLU B0 O 0 -1.9224253 23.235447 4.155822 1 2489 1 +ATOM C CB . GLU B0 2 105 . 105 GLU B0 CB 0 -3.8339462 22.638844 1.4320762 1 2490 1 +ATOM C CG . GLU B0 2 105 . 105 GLU B0 CG 0 -4.880374 22.90287 2.510562 1 2491 1 +ATOM C CD . GLU B0 2 105 . 105 GLU B0 CD 0 -5.941564 23.914125 2.0983877 1 2492 1 +ATOM O OE1 . GLU B0 2 105 . 105 GLU B0 OE1 0 -6.183333 24.10225 0.88785076 1 2493 1 +ATOM O OE2 . GLU B0 2 105 . 105 GLU B0 OE2 0 -6.548904 24.53553 2.998396 1 2494 1 +ATOM N N . ILE B0 2 106 . 106 ILE B0 N 0 -1.6602867 24.5654 2.3508358 1 2495 1 +ATOM C CA . ILE B0 2 106 . 106 ILE B0 CA 0 -1.1759931 25.703913 3.11827 1 2496 1 +ATOM C C . ILE B0 2 106 . 106 ILE B0 C 0 -2.3464427 26.438189 3.7741094 1 2497 1 +ATOM O O . ILE B0 2 106 . 106 ILE B0 O 0 -3.3340883 26.744663 3.118899 1 2498 1 +ATOM C CB . ILE B0 2 106 . 106 ILE B0 CB 0 -0.39108002 26.684185 2.2199552 1 2499 1 +ATOM C CG1 . ILE B0 2 106 . 106 ILE B0 CG1 0 0.7552006 25.953197 1.5195777 1 2500 1 +ATOM C CG2 . ILE B0 2 106 . 106 ILE B0 CG2 0 0.121812046 27.868416 3.0403948 1 2501 1 +ATOM C CD1 . ILE B0 2 106 . 106 ILE B0 CD1 0 1.4150548 26.761843 0.4069595 1 2502 1 +ATOM N N . LYS B0 2 107 . 107 LYS B0 N 0 -2.2093425 26.724092 5.0597086 1 2503 1 +ATOM C CA . LYS B0 2 107 . 107 LYS B0 CA 0 -3.2348113 27.464378 5.791512 1 2504 1 +ATOM C C . LYS B0 2 107 . 107 LYS B0 C 0 -2.944045 28.957287 5.6942186 1 2505 1 +ATOM O O . LYS B0 2 107 . 107 LYS B0 O 0 -1.7982979 29.387474 5.8638363 1 2506 1 +ATOM C CB . LYS B0 2 107 . 107 LYS B0 CB 0 -3.2772202 27.032085 7.261218 1 2507 1 +ATOM C CG . LYS B0 2 107 . 107 LYS B0 CG 0 -4.4073524 27.67167 8.061047 1 2508 1 +ATOM C CD . LYS B0 2 107 . 107 LYS B0 CD 0 -4.4432187 27.132812 9.47995 1 2509 1 +ATOM C CE . LYS B0 2 107 . 107 LYS B0 CE 0 -5.614086 27.70182 10.265703 1 2510 1 +ATOM N NZ . LYS B0 2 107 . 107 LYS B0 NZ 0 -5.6780167 27.14093 11.628555 1 2511 1 +ATOM N N . ARG B0 2 108 . 108 ARG B0 N 0 -3.9657366 29.737923 5.3940964 1 2512 1 +ATOM C CA . ARG B0 2 108 . 108 ARG B0 CA 0 -3.849349 31.188253 5.320938 1 2513 1 +ATOM C C . ARG B0 2 108 . 108 ARG B0 C 0 -5.124158 31.810682 5.8538947 1 2514 1 +ATOM O O . ARG B0 2 108 . 108 ARG B0 O 0 -6.051792 31.087723 6.218557 1 2515 1 +ATOM C CB . ARG B0 2 108 . 108 ARG B0 CB 0 -3.5852149 31.656958 3.8854575 1 2516 1 +ATOM C CG . ARG B0 2 108 . 108 ARG B0 CG 0 -4.643778 31.235994 2.861065 1 2517 1 +ATOM C CD . ARG B0 2 108 . 108 ARG B0 CD 0 -4.7505827 32.23898 1.730274 1 2518 1 +ATOM N NE . ARG B0 2 108 . 108 ARG B0 NE 0 -5.3810453 33.477077 2.2038937 1 2519 1 +ATOM C CZ . ARG B0 2 108 . 108 ARG B0 CZ 0 -5.216711 34.668663 1.6339731 1 2520 1 +ATOM N NH1 . ARG B0 2 108 . 108 ARG B0 NH1 0 -4.4601116 34.79361 0.56052464 1 2521 1 +ATOM N NH2 . ARG B0 2 108 . 108 ARG B0 NH2 0 -5.8221674 35.729298 2.159268 1 2522 1 +ATOM N N . THR B0 2 109 . 109 THR B0 N 0 -5.1959023 33.13595 5.901218 1 2523 1 +ATOM C CA . THR B0 2 109 . 109 THR B0 CA 0 -6.386338 33.824783 6.384093 1 2524 1 +ATOM C C . THR B0 2 109 . 109 THR B0 C 0 -7.5282345 33.66571 5.388232 1 2525 1 +ATOM O O . THR B0 2 109 . 109 THR B0 O 0 -7.303995 33.489704 4.1856604 1 2526 1 +ATOM C CB . THR B0 2 109 . 109 THR B0 CB 0 -6.1130013 35.322807 6.607877 1 2527 1 +ATOM O OG1 . THR B0 2 109 . 109 THR B0 OG1 0 -5.6721897 35.90852 5.3860707 1 2528 1 +ATOM C CG2 . THR B0 2 109 . 109 THR B0 CG2 0 -5.0500164 35.531364 7.6897535 1 2529 1 +ATOM N N . VAL B0 2 110 . 110 VAL B0 N 0 -8.753059 33.7147 5.907073 1 2530 1 +ATOM C CA . VAL B0 2 110 . 110 VAL B0 CA 0 -9.933273 33.569645 5.0602865 1 2531 1 +ATOM C C . VAL B0 2 110 . 110 VAL B0 C 0 -9.979368 34.718777 4.0488744 1 2532 1 +ATOM O O . VAL B0 2 110 . 110 VAL B0 O 0 -9.726492 35.8742 4.3988037 1 2533 1 +ATOM C CB . VAL B0 2 110 . 110 VAL B0 CB 0 -11.226136 33.55153 5.9071608 1 2534 1 +ATOM C CG1 . VAL B0 2 110 . 110 VAL B0 CG1 0 -12.459485 33.55092 5.009378 1 2535 1 +ATOM C CG2 . VAL B0 2 110 . 110 VAL B0 CG2 0 -11.238255 32.33542 6.825923 1 2536 1 +ATOM N N . ALA B0 2 111 . 111 ALA B0 N 0 -10.279083 34.387913 2.8039422 1 2537 1 +ATOM C CA . ALA B0 2 111 . 111 ALA B0 CA 0 -10.386506 35.381615 1.7389948 1 2538 1 +ATOM C C . ALA B0 2 111 . 111 ALA B0 C 0 -11.657152 35.10343 0.94220436 1 2539 1 +ATOM O O . ALA B0 2 111 . 111 ALA B0 O 0 -11.825229 34.010605 0.4032473 1 2540 1 +ATOM C CB . ALA B0 2 111 . 111 ALA B0 CB 0 -9.165898 35.338787 0.8259071 1 2541 1 +ATOM N N . ALA B0 2 112 . 112 ALA B0 N 0 -12.55283 36.088596 0.88694763 1 2542 1 +ATOM C CA . ALA B0 2 112 . 112 ALA B0 CA 0 -13.800512 35.934395 0.15203904 1 2543 1 +ATOM C C . ALA B0 2 112 . 112 ALA B0 C 0 -13.552467 35.99482 -1.3573883 1 2544 1 +ATOM O O . ALA B0 2 112 . 112 ALA B0 O 0 -12.665276 36.7221 -1.8123236 1 2545 1 +ATOM C CB . ALA B0 2 112 . 112 ALA B0 CB 0 -14.788924 37.024254 0.55486965 1 2546 1 +ATOM N N . PRO B0 2 113 . 113 PRO B0 N 0 -14.325884 35.226078 -2.1438556 1 2547 1 +ATOM C CA . PRO B0 2 113 . 113 PRO B0 CA 0 -14.126383 35.254982 -3.5973701 1 2548 1 +ATOM C C . PRO B0 2 113 . 113 PRO B0 C 0 -14.720292 36.508583 -4.232381 1 2549 1 +ATOM O O . PRO B0 2 113 . 113 PRO B0 O 0 -15.721024 37.04577 -3.7539673 1 2550 1 +ATOM C CB . PRO B0 2 113 . 113 PRO B0 CB 0 -14.873558 34.0036 -4.0730534 1 2551 1 +ATOM C CG . PRO B0 2 113 . 113 PRO B0 CG 0 -15.984293 33.854393 -3.0884953 1 2552 1 +ATOM C CD . PRO B0 2 113 . 113 PRO B0 CD 0 -15.376986 34.256775 -1.756948 1 2553 1 +ATOM N N . SER B0 2 114 . 114 SER B0 N 0 -14.0737915 36.956074 -5.3004217 1 2554 1 +ATOM C CA . SER B0 2 114 . 114 SER B0 CA 0 -14.664436 37.986244 -6.154208 1 2555 1 +ATOM C C . SER B0 2 114 . 114 SER B0 C 0 -15.459902 37.199978 -7.1837435 1 2556 1 +ATOM O O . SER B0 2 114 . 114 SER B0 O 0 -14.916259 36.273014 -7.811742 1 2557 1 +ATOM C CB . SER B0 2 114 . 114 SER B0 CB 0 -13.5925045 38.834778 -6.83342 1 2558 1 +ATOM O OG . SER B0 2 114 . 114 SER B0 OG 0 -12.819105 39.552254 -5.870701 1 2559 1 +ATOM N N . VAL B0 2 115 . 115 VAL B0 N 0 -16.748577 37.513588 -7.3467507 1 2560 1 +ATOM C CA . VAL B0 2 115 . 115 VAL B0 CA 0 -17.629316 36.73155 -8.207632 1 2561 1 +ATOM C C . VAL B0 2 115 . 115 VAL B0 C 0 -17.974554 37.49969 -9.487572 1 2562 1 +ATOM O O . VAL B0 2 115 . 115 VAL B0 O 0 -18.331018 38.680298 -9.439453 1 2563 1 +ATOM C CB . VAL B0 2 115 . 115 VAL B0 CB 0 -18.925812 36.334003 -7.460215 1 2564 1 +ATOM C CG1 . VAL B0 2 115 . 115 VAL B0 CG1 0 -19.786446 35.414738 -8.31963 1 2565 1 +ATOM C CG2 . VAL B0 2 115 . 115 VAL B0 CG2 0 -18.583458 35.65821 -6.131664 1 2566 1 +ATOM N N . PHE B0 2 116 . 116 PHE B0 N 0 -17.872171 36.792343 -10.634032 1 2567 1 +ATOM C CA . PHE B0 2 116 . 116 PHE B0 CA 0 -18.190144 37.364666 -11.937658 1 2568 1 +ATOM C C . PHE B0 2 116 . 116 PHE B0 C 0 -19.036613 36.372307 -12.71871 1 2569 1 +ATOM O O . PHE B0 2 116 . 116 PHE B0 O 0 -18.850628 35.156746 -12.58556 1 2570 1 +ATOM C CB . PHE B0 2 116 . 116 PHE B0 CB 0 -16.910486 37.678402 -12.7260685 1 2571 1 +ATOM C CG . PHE B0 2 116 . 116 PHE B0 CG 0 -15.933495 38.55363 -11.992975 1 2572 1 +ATOM C CD1 . PHE B0 2 116 . 116 PHE B0 CD1 0 -14.941737 37.996582 -11.201414 1 2573 1 +ATOM C CD2 . PHE B0 2 116 . 116 PHE B0 CD2 0 -16.006332 39.930244 -12.105981 1 2574 1 +ATOM C CE1 . PHE B0 2 116 . 116 PHE B0 CE1 0 -14.036962 38.806084 -10.520162 1 2575 1 +ATOM C CE2 . PHE B0 2 116 . 116 PHE B0 CE2 0 -15.106712 40.742752 -11.431309 1 2576 1 +ATOM C CZ . PHE B0 2 116 . 116 PHE B0 CZ 0 -14.12113 40.174328 -10.636121 1 2577 1 +ATOM N N . ILE B0 2 117 . 117 ILE B0 N 0 -19.969505 36.88549 -13.552914 1 2578 1 +ATOM C CA . ILE B0 2 117 . 117 ILE B0 CA 0 -20.769772 36.00301 -14.396277 1 2579 1 +ATOM C C . ILE B0 2 117 . 117 ILE B0 C 0 -20.631441 36.458405 -15.849436 1 2580 1 +ATOM O O . ILE B0 2 117 . 117 ILE B0 O 0 -20.571186 37.656124 -16.136211 1 2581 1 +ATOM C CB . ILE B0 2 117 . 117 ILE B0 CB 0 -22.26001 35.98506 -13.962501 1 2582 1 +ATOM C CG1 . ILE B0 2 117 . 117 ILE B0 CG1 0 -23.03127 34.899166 -14.716443 1 2583 1 +ATOM C CG2 . ILE B0 2 117 . 117 ILE B0 CG2 0 -22.903898 37.362076 -14.140074 1 2584 1 +ATOM C CD1 . ILE B0 2 117 . 117 ILE B0 CD1 0 -24.42806 34.62227 -14.150382 1 2585 1 +ATOM N N . PHE B0 2 118 . 118 PHE B0 N 0 -20.540195 35.482975 -16.765057 1 2586 1 +ATOM C CA . PHE B0 2 118 . 118 PHE B0 CA 0 -20.359407 35.777958 -18.185692 1 2587 1 +ATOM C C . PHE B0 2 118 . 118 PHE B0 C 0 -21.470446 35.1313 -19.00896 1 2588 1 +ATOM O O . PHE B0 2 118 . 118 PHE B0 O 0 -21.630077 33.904987 -18.96593 1 2589 1 +ATOM C CB . PHE B0 2 118 . 118 PHE B0 CB 0 -19.003445 35.2635 -18.67797 1 2590 1 +ATOM C CG . PHE B0 2 118 . 118 PHE B0 CG 0 -17.822601 35.838608 -17.954596 1 2591 1 +ATOM C CD1 . PHE B0 2 118 . 118 PHE B0 CD1 0 -17.274288 35.182823 -16.863655 1 2592 1 +ATOM C CD2 . PHE B0 2 118 . 118 PHE B0 CD2 0 -17.266165 37.031094 -18.373478 1 2593 1 +ATOM C CE1 . PHE B0 2 118 . 118 PHE B0 CE1 0 -16.1847 35.71959 -16.197826 1 2594 1 +ATOM C CE2 . PHE B0 2 118 . 118 PHE B0 CE2 0 -16.176493 37.568832 -17.707735 1 2595 1 +ATOM C CZ . PHE B0 2 118 . 118 PHE B0 CZ 0 -15.636763 36.90902 -16.616604 1 2596 1 +ATOM N N . PRO B0 2 119 . 119 PRO B0 N 0 -22.254177 35.930653 -19.77886 1 2597 1 +ATOM C CA . PRO B0 2 119 . 119 PRO B0 CA 0 -23.27956 35.34667 -20.649626 1 2598 1 +ATOM C C . PRO B0 2 119 . 119 PRO B0 C 0 -22.624052 34.615364 -21.819536 1 2599 1 +ATOM O O . PRO B0 2 119 . 119 PRO B0 O 0 -21.445189 34.84499 -22.111729 1 2600 1 +ATOM C CB . PRO B0 2 119 . 119 PRO B0 CB 0 -24.068539 36.57012 -21.144337 1 2601 1 +ATOM C CG . PRO B0 2 119 . 119 PRO B0 CG 0 -23.679764 37.69158 -20.229145 1 2602 1 +ATOM C CD . PRO B0 2 119 . 119 PRO B0 CD 0 -22.267517 37.377098 -19.813007 1 2603 1 +ATOM N N . PRO B0 2 120 . 120 PRO B0 N 0 -23.370327 33.71734 -22.494267 1 2604 1 +ATOM C CA . PRO B0 2 120 . 120 PRO B0 CA 0 -22.78732 33.063797 -23.671143 1 2605 1 +ATOM C C . PRO B0 2 120 . 120 PRO B0 C 0 -22.530018 34.10081 -24.760645 1 2606 1 +ATOM O O . PRO B0 2 120 . 120 PRO B0 O 0 -23.265463 35.082825 -24.884466 1 2607 1 +ATOM C CB . PRO B0 2 120 . 120 PRO B0 CB 0 -23.872616 32.060257 -24.091988 1 2608 1 +ATOM C CG . PRO B0 2 120 . 120 PRO B0 CG 0 -25.137863 32.60424 -23.51843 1 2609 1 +ATOM C CD . PRO B0 2 120 . 120 PRO B0 CD 0 -24.737408 33.25138 -22.223293 1 2610 1 +ATOM N N . SER B0 2 121 . 121 SER B0 N 0 -21.474842 33.875595 -25.53169 1 2611 1 +ATOM C CA . SER B0 2 121 . 121 SER B0 CA 0 -21.147354 34.80301 -26.608747 1 2612 1 +ATOM C C . SER B0 2 121 . 121 SER B0 C 0 -22.087208 34.601974 -27.791588 1 2613 1 +ATOM O O . SER B0 2 121 . 121 SER B0 O 0 -22.653395 33.52121 -27.980131 1 2614 1 +ATOM C CB . SER B0 2 121 . 121 SER B0 CB 0 -19.700619 34.586388 -27.065626 1 2615 1 +ATOM O OG . SER B0 2 121 . 121 SER B0 OG 0 -19.554405 33.296368 -27.645275 1 2616 1 +ATOM N N . ASP B0 2 122 . 122 ASP B0 N 0 -22.254944 35.652237 -28.570744 1 2617 1 +ATOM C CA . ASP B0 2 122 . 122 ASP B0 CA 0 -23.073692 35.53531 -29.777699 1 2618 1 +ATOM C C . ASP B0 2 122 . 122 ASP B0 C 0 -22.477215 34.510674 -30.728855 1 2619 1 +ATOM O O . ASP B0 2 122 . 122 ASP B0 O 0 -23.20862 33.80293 -31.418928 1 2620 1 +ATOM C CB . ASP B0 2 122 . 122 ASP B0 CB 0 -23.186266 36.898705 -30.47506 1 2621 1 +ATOM C CG . ASP B0 2 122 . 122 ASP B0 CG 0 -24.05387 37.88423 -29.713104 1 2622 1 +ATOM O OD1 . ASP B0 2 122 . 122 ASP B0 OD1 0 -24.950096 37.43585 -28.97668 1 2623 1 +ATOM O OD2 . ASP B0 2 122 . 122 ASP B0 OD2 0 -23.833153 39.102707 -29.854462 1 2624 1 +ATOM N N . GLU B0 2 123 . 123 GLU B0 N 0 -21.141983 34.42315 -30.738607 1 2625 1 +ATOM C CA . GLU B0 2 123 . 123 GLU B0 CA 0 -20.461277 33.45175 -31.59533 1 2626 1 +ATOM C C . GLU B0 2 123 . 123 GLU B0 C 0 -20.866253 32.03087 -31.24173 1 2627 1 +ATOM O O . GLU B0 2 123 . 123 GLU B0 O 0 -21.116817 31.200977 -32.122086 1 2628 1 +ATOM C CB . GLU B0 2 123 . 123 GLU B0 CB 0 -18.937183 33.60099 -31.479626 1 2629 1 +ATOM C CG . GLU B0 2 123 . 123 GLU B0 CG 0 -18.406073 34.950123 -31.983744 1 2630 1 +ATOM C CD . GLU B0 2 123 . 123 GLU B0 CD 0 -18.145142 35.937492 -30.886618 1 2631 1 +ATOM O OE1 . GLU B0 2 123 . 123 GLU B0 OE1 0 -19.080395 36.24835 -30.105854 1 2632 1 +ATOM O OE2 . GLU B0 2 123 . 123 GLU B0 OE2 0 -17.000881 36.426743 -30.788074 1 2633 1 +ATOM N N . GLN B0 2 124 . 124 GLN B0 N 0 -20.939318 31.721775 -29.935383 1 2634 1 +ATOM C CA . GLN B0 2 124 . 124 GLN B0 CA 0 -21.302189 30.372307 -29.519121 1 2635 1 +ATOM C C . GLN B0 2 124 . 124 GLN B0 C 0 -22.766216 30.080854 -29.823498 1 2636 1 +ATOM O O . GLN B0 2 124 . 124 GLN B0 O 0 -23.098064 28.97543 -30.246746 1 2637 1 +ATOM C CB . GLN B0 2 124 . 124 GLN B0 CB 0 -21.04012 30.161283 -28.024967 1 2638 1 +ATOM C CG . GLN B0 2 124 . 124 GLN B0 CG 0 -21.329668 28.723173 -27.602535 1 2639 1 +ATOM C CD . GLN B0 2 124 . 124 GLN B0 CD 0 -21.25859 28.48623 -26.117535 1 2640 1 +ATOM O OE1 . GLN B0 2 124 . 124 GLN B0 OE1 0 -21.453516 29.403328 -25.329193 1 2641 1 +ATOM N NE2 . GLN B0 2 124 . 124 GLN B0 NE2 0 -20.990917 27.2463 -25.72343 1 2642 1 +ATOM N N . LEU B0 2 125 . 125 LEU B0 N 0 -23.64122 31.05452 -29.615864 1 2643 1 +ATOM C CA . LEU B0 2 125 . 125 LEU B0 CA 0 -25.064877 30.84595 -29.847597 1 2644 1 +ATOM C C . LEU B0 2 125 . 125 LEU B0 C 0 -25.351864 30.44704 -31.291672 1 2645 1 +ATOM O O . LEU B0 2 125 . 125 LEU B0 O 0 -26.299568 29.699947 -31.550156 1 2646 1 +ATOM C CB . LEU B0 2 125 . 125 LEU B0 CB 0 -25.856281 32.105965 -29.486258 1 2647 1 +ATOM C CG . LEU B0 2 125 . 125 LEU B0 CG 0 -25.947578 32.402786 -27.987053 1 2648 1 +ATOM C CD1 . LEU B0 2 125 . 125 LEU B0 CD1 0 -26.606377 33.75855 -27.753017 1 2649 1 +ATOM C CD2 . LEU B0 2 125 . 125 LEU B0 CD2 0 -26.706705 31.299229 -27.272923 1 2650 1 +ATOM N N . LYS B0 2 126 . 126 LYS B0 N 0 -24.530712 30.918236 -32.232803 1 2651 1 +ATOM C CA . LYS B0 2 126 . 126 LYS B0 CA 0 -24.700544 30.553091 -33.634697 1 2652 1 +ATOM C C . LYS B0 2 126 . 126 LYS B0 C 0 -24.502731 29.062737 -33.862514 1 2653 1 +ATOM O O . LYS B0 2 126 . 126 LYS B0 O 0 -25.029932 28.502178 -34.82224 1 2654 1 +ATOM C CB . LYS B0 2 126 . 126 LYS B0 CB 0 -23.719645 31.337898 -34.51813 1 2655 1 +ATOM C CG . LYS B0 2 126 . 126 LYS B0 CG 0 -23.963982 32.842373 -34.521286 1 2656 1 +ATOM C CD . LYS B0 2 126 . 126 LYS B0 CD 0 -22.913708 33.552765 -35.375313 1 2657 1 +ATOM C CE . LYS B0 2 126 . 126 LYS B0 CE 0 -23.12095 35.055786 -35.348793 1 2658 1 +ATOM N NZ . LYS B0 2 126 . 126 LYS B0 NZ 0 -22.07988 35.760868 -36.133976 1 2659 1 +ATOM N N . SER B0 2 127 . 127 SER B0 N 0 -23.75573 28.405897 -32.950195 1 2660 1 +ATOM C CA . SER B0 2 127 . 127 SER B0 CA 0 -23.485065 26.98016 -33.084114 1 2661 1 +ATOM C C . SER B0 2 127 . 127 SER B0 C 0 -24.555632 26.122704 -32.418564 1 2662 1 +ATOM O O . SER B0 2 127 . 127 SER B0 O 0 -24.493523 24.892073 -32.508354 1 2663 1 +ATOM C CB . SER B0 2 127 . 127 SER B0 CB 0 -22.118874 26.644608 -32.50748 1 2664 1 +ATOM O OG . SER B0 2 127 . 127 SER B0 OG 0 -22.09787 26.835304 -31.110006 1 2665 1 +ATOM N N . GLY B0 2 128 . 128 GLY B0 N 0 -25.544998 26.744453 -31.765568 1 2666 1 +ATOM C CA . GLY B0 2 128 . 128 GLY B0 CA 0 -26.650707 26.021843 -31.164478 1 2667 1 +ATOM C C . GLY B0 2 128 . 128 GLY B0 C 0 -26.517998 25.679111 -29.70087 1 2668 1 +ATOM O O . GLY B0 2 128 . 128 GLY B0 O 0 -27.37289 24.973404 -29.159916 1 2669 1 +ATOM N N . THR B0 2 129 . 129 THR B0 N 0 -25.473398 26.150188 -29.02598 1 2670 1 +ATOM C CA . THR B0 2 129 . 129 THR B0 CA 0 -25.268974 25.8605 -27.605537 1 2671 1 +ATOM C C . THR B0 2 129 . 129 THR B0 C 0 -24.9741 27.148384 -26.850346 1 2672 1 +ATOM O O . THR B0 2 129 . 129 THR B0 O 0 -24.41096 28.092209 -27.414032 1 2673 1 +ATOM C CB . THR B0 2 129 . 129 THR B0 CB 0 -24.118656 24.86982 -27.405117 1 2674 1 +ATOM O OG1 . THR B0 2 129 . 129 THR B0 OG1 0 -24.426346 23.652308 -28.090622 1 2675 1 +ATOM C CG2 . THR B0 2 129 . 129 THR B0 CG2 0 -23.917622 24.552456 -25.921356 1 2676 1 +ATOM N N . ALA B0 2 130 . 130 ALA B0 N 0 -25.342909 27.17104 -25.559471 1 2677 1 +ATOM C CA . ALA B0 2 130 . 130 ALA B0 CA 0 -25.099937 28.331776 -24.714825 1 2678 1 +ATOM C C . ALA B0 2 130 . 130 ALA B0 C 0 -24.377201 27.897293 -23.443428 1 2679 1 +ATOM O O . ALA B0 2 130 . 130 ALA B0 O 0 -24.877148 27.054218 -22.696972 1 2680 1 +ATOM C CB . ALA B0 2 130 . 130 ALA B0 CB 0 -26.415668 29.025475 -24.362083 1 2681 1 +ATOM N N . SER B0 2 131 . 131 SER B0 N 0 -23.180447 28.464634 -23.194439 1 2682 1 +ATOM C CA . SER B0 2 131 . 131 SER B0 CA 0 -22.420683 28.201342 -21.976292 1 2683 1 +ATOM C C . SER B0 2 131 . 131 SER B0 C 0 -22.38435 29.474823 -21.14522 1 2684 1 +ATOM O O . SER B0 2 131 . 131 SER B0 O 0 -21.936663 30.519974 -21.630642 1 2685 1 +ATOM C CB . SER B0 2 131 . 131 SER B0 CB 0 -20.994946 27.757166 -22.304459 1 2686 1 +ATOM O OG . SER B0 2 131 . 131 SER B0 OG 0 -20.978682 26.518272 -22.987646 1 2687 1 +ATOM N N . VAL B0 2 132 . 132 VAL B0 N 0 -22.880655 29.376307 -19.912868 1 2688 1 +ATOM C CA . VAL B0 2 132 . 132 VAL B0 CA 0 -22.848587 30.505245 -18.991652 1 2689 1 +ATOM C C . VAL B0 2 132 . 132 VAL B0 C 0 -21.778227 30.190939 -17.95505 1 2690 1 +ATOM O O . VAL B0 2 132 . 132 VAL B0 O 0 -21.78072 29.100296 -17.363823 1 2691 1 +ATOM C CB . VAL B0 2 132 . 132 VAL B0 CB 0 -24.213789 30.721003 -18.300083 1 2692 1 +ATOM C CG1 . VAL B0 2 132 . 132 VAL B0 CG1 0 -24.240448 32.06787 -17.598696 1 2693 1 +ATOM C CG2 . VAL B0 2 132 . 132 VAL B0 CG2 0 -25.361668 30.626467 -19.319052 1 2694 1 +ATOM N N . VAL B0 2 133 . 133 VAL B0 N 0 -20.85223 31.129496 -17.729488 1 2695 1 +ATOM C CA . VAL B0 2 133 . 133 VAL B0 CA 0 -19.723417 30.877516 -16.845776 1 2696 1 +ATOM C C . VAL B0 2 133 . 133 VAL B0 C 0 -19.768744 31.773445 -15.605589 1 2697 1 +ATOM O O . VAL B0 2 133 . 133 VAL B0 O 0 -19.971516 32.98806 -15.709527 1 2698 1 +ATOM C CB . VAL B0 2 133 . 133 VAL B0 CB 0 -18.381628 31.079906 -17.581806 1 2699 1 +ATOM C CG1 . VAL B0 2 133 . 133 VAL B0 CG1 0 -17.210571 30.881147 -16.625324 1 2700 1 +ATOM C CG2 . VAL B0 2 133 . 133 VAL B0 CG2 0 -18.28331 30.1155 -18.759657 1 2701 1 +ATOM N N . CYS B0 2 134 . 134 CYS B0 N 0 -19.576195 31.139874 -14.429895 1 2702 1 +ATOM C CA . CYS B0 2 134 . 134 CYS B0 CA 0 -19.483952 31.862434 -13.164404 1 2703 1 +ATOM C C . CYS B0 2 134 . 134 CYS B0 C 0 -18.069458 31.673752 -12.638483 1 2704 1 +ATOM O O . CYS B0 2 134 . 134 CYS B0 O 0 -17.583704 30.539196 -12.547739 1 2705 1 +ATOM C CB . CYS B0 2 134 . 134 CYS B0 CB 0 -20.506653 31.333742 -12.166425 1 2706 1 +ATOM S SG . CYS B0 2 134 . 134 CYS B0 SG 0 -20.620235 32.275093 -10.64213 1 2707 1 +ATOM N N . LEU B0 2 135 . 135 LEU B0 N 0 -17.39479 32.777523 -12.297578 1 2708 1 +ATOM C CA . LEU B0 2 135 . 135 LEU B0 CA 0 -16.021416 32.749313 -11.80781 1 2709 1 +ATOM C C . LEU B0 2 135 . 135 LEU B0 C 0 -15.957805 33.196877 -10.351187 1 2710 1 +ATOM O O . LEU B0 2 135 . 135 LEU B0 O 0 -16.484562 34.25499 -9.997963 1 2711 1 +ATOM C CB . LEU B0 2 135 . 135 LEU B0 CB 0 -15.133392 33.662785 -12.671849 1 2712 1 +ATOM C CG . LEU B0 2 135 . 135 LEU B0 CG 0 -13.729687 33.968304 -12.120412 1 2713 1 +ATOM C CD1 . LEU B0 2 135 . 135 LEU B0 CD1 0 -13.066753 35.06562 -12.951246 1 2714 1 +ATOM C CD2 . LEU B0 2 135 . 135 LEU B0 CD2 0 -12.865359 32.714676 -12.097321 1 2715 1 +ATOM N N . LEU B0 2 136 . 136 LEU B0 N 0 -15.309204 32.361214 -9.512188 1 2716 1 +ATOM C CA . LEU B0 2 136 . 136 LEU B0 CA 0 -15.038012 32.707466 -8.11585 1 2717 1 +ATOM C C . LEU B0 2 136 . 136 LEU B0 C 0 -13.532517 32.86779 -8.050583 1 2718 1 +ATOM O O . LEU B0 2 136 . 136 LEU B0 O 0 -12.790232 31.889545 -8.204474 1 2719 1 +ATOM C CB . LEU B0 2 136 . 136 LEU B0 CB 0 -15.486969 31.590693 -7.18354 1 2720 1 +ATOM C CG . LEU B0 2 136 . 136 LEU B0 CG 0 -16.972935 31.418217 -6.8821774 1 2721 1 +ATOM C CD1 . LEU B0 2 136 . 136 LEU B0 CD1 0 -17.762905 31.057468 -8.119669 1 2722 1 +ATOM C CD2 . LEU B0 2 136 . 136 LEU B0 CD2 0 -17.171093 30.374586 -5.7924294 1 2723 1 +ATOM N N . ASN B0 2 137 . 137 ASN B0 N 0 -13.062263 34.095177 -7.8272815 1 2724 1 +ATOM C CA . ASN B0 2 137 . 137 ASN B0 CA 0 -11.638803 34.38678 -7.922208 1 2725 1 +ATOM C C . ASN B0 2 137 . 137 ASN B0 C 0 -10.945494 34.640083 -6.586101 1 2726 1 +ATOM O O . ASN B0 2 137 . 137 ASN B0 O 0 -11.439699 35.41133 -5.7506847 1 2727 1 +ATOM C CB . ASN B0 2 137 . 137 ASN B0 CB 0 -11.42046 35.598385 -8.837379 1 2728 1 +ATOM C CG . ASN B0 2 137 . 137 ASN B0 CG 0 -10.083324 35.583794 -9.527643 1 2729 1 +ATOM O OD1 . ASN B0 2 137 . 137 ASN B0 OD1 0 -9.680456 34.56627 -10.114003 1 2730 1 +ATOM N ND2 . ASN B0 2 137 . 137 ASN B0 ND2 0 -9.39694 36.697216 -9.511247 1 2731 1 +ATOM N N . ASN B0 2 138 . 138 ASN B0 N 0 -9.798006 33.977856 -6.390421 1 2732 1 +ATOM C CA . ASN B0 2 138 . 138 ASN B0 CA 0 -8.87328 34.19773 -5.2895536 1 2733 1 +ATOM C C . ASN B0 2 138 . 138 ASN B0 C 0 -9.532764 34.1317 -3.9134293 1 2734 1 +ATOM O O . ASN B0 2 138 . 138 ASN B0 O 0 -9.605282 35.123955 -3.1910827 1 2735 1 +ATOM C CB . ASN B0 2 138 . 138 ASN B0 CB 0 -8.136687 35.535927 -5.4656305 1 2736 1 +ATOM C CG . ASN B0 2 138 . 138 ASN B0 CG 0 -7.3445063 35.60002 -6.751557 1 2737 1 +ATOM O OD1 . ASN B0 2 138 . 138 ASN B0 OD1 0 -7.3600225 36.609077 -7.4672337 1 2738 1 +ATOM N ND2 . ASN B0 2 138 . 138 ASN B0 ND2 0 -6.6399837 34.52844 -7.069298 1 2739 1 +ATOM N N . PHE B0 2 139 . 139 PHE B0 N 0 -9.961115 32.92675 -3.534488 1 2740 1 +ATOM C CA . PHE B0 2 139 . 139 PHE B0 CA 0 -10.604307 32.73608 -2.236658 1 2741 1 +ATOM C C . PHE B0 2 139 . 139 PHE B0 C 0 -9.911764 31.657902 -1.4071416 1 2742 1 +ATOM O O . PHE B0 2 139 . 139 PHE B0 O 0 -9.103448 30.886097 -1.914748 1 2743 1 +ATOM C CB . PHE B0 2 139 . 139 PHE B0 CB 0 -12.0941725 32.38735 -2.4083264 1 2744 1 +ATOM C CG . PHE B0 2 139 . 139 PHE B0 CG 0 -12.348572 31.125414 -3.1918342 1 2745 1 +ATOM C CD1 . PHE B0 2 139 . 139 PHE B0 CD1 0 -12.487644 31.167215 -4.5716715 1 2746 1 +ATOM C CD2 . PHE B0 2 139 . 139 PHE B0 CD2 0 -12.469812 29.902988 -2.5439532 1 2747 1 +ATOM C CE1 . PHE B0 2 139 . 139 PHE B0 CE1 0 -12.741068 30.000587 -5.2901773 1 2748 1 +ATOM C CE2 . PHE B0 2 139 . 139 PHE B0 CE2 0 -12.720727 28.747732 -3.2577248 1 2749 1 +ATOM C CZ . PHE B0 2 139 . 139 PHE B0 CZ 0 -12.860527 28.789902 -4.6340046 1 2750 1 +ATOM N N . TYR B0 2 140 . 140 TYR B0 N 0 -10.213767 31.642097 -0.114247695 1 2751 1 +ATOM C CA . TYR B0 2 140 . 140 TYR B0 CA 0 -9.718052 30.64878 0.8243114 1 2752 1 +ATOM C C . TYR B0 2 140 . 140 TYR B0 C 0 -10.648882 30.629417 2.0244436 1 2753 1 +ATOM O O . TYR B0 2 140 . 140 TYR B0 O 0 -11.038878 31.696281 2.5059102 1 2754 1 +ATOM C CB . TYR B0 2 140 . 140 TYR B0 CB 0 -8.285313 30.956419 1.2792685 1 2755 1 +ATOM C CG . TYR B0 2 140 . 140 TYR B0 CG 0 -7.712207 29.85839 2.1487405 1 2756 1 +ATOM C CD1 . TYR B0 2 140 . 140 TYR B0 CD1 0 -7.9504547 29.849663 3.526771 1 2757 1 +ATOM C CD2 . TYR B0 2 140 . 140 TYR B0 CD2 0 -7.011321 28.79301 1.5960996 1 2758 1 +ATOM C CE1 . TYR B0 2 140 . 140 TYR B0 CE1 0 -7.488284 28.821255 4.3212376 1 2759 1 +ATOM C CE2 . TYR B0 2 140 . 140 TYR B0 CE2 0 -6.5424194 27.760498 2.3888283 1 2760 1 +ATOM C CZ . TYR B0 2 140 . 140 TYR B0 CZ 0 -6.786389 27.77824 3.7512097 1 2761 1 +ATOM O OH . TYR B0 2 140 . 140 TYR B0 OH 0 -6.3393936 26.755636 4.5260067 1 2762 1 +ATOM N N . PRO B0 2 141 . 141 PRO B0 N 0 -11.038212 29.446453 2.5408516 1 2763 1 +ATOM C CA . PRO B0 2 141 . 141 PRO B0 CA 0 -10.604215 28.103012 2.1341867 1 2764 1 +ATOM C C . PRO B0 2 141 . 141 PRO B0 C 0 -11.264717 27.61671 0.8440119 1 2765 1 +ATOM O O . PRO B0 2 141 . 141 PRO B0 O 0 -12.068886 28.327625 0.24840754 1 2766 1 +ATOM C CB . PRO B0 2 141 . 141 PRO B0 CB 0 -11.034742 27.241476 3.32757 1 2767 1 +ATOM C CG . PRO B0 2 141 . 141 PRO B0 CG 0 -12.236494 27.937393 3.8603678 1 2768 1 +ATOM C CD . PRO B0 2 141 . 141 PRO B0 CD 0 -11.93034 29.410492 3.7049754 1 2769 1 +ATOM N N . ARG B0 2 142 . 142 ARG B0 N 0 -10.879331 26.418797 0.41653863 1 2770 1 +ATOM C CA . ARG B0 2 142 . 142 ARG B0 CA 0 -11.301315 25.867306 -0.86526704 1 2771 1 +ATOM C C . ARG B0 2 142 . 142 ARG B0 C 0 -12.802521 25.612915 -0.943851 1 2772 1 +ATOM O O . ARG B0 2 142 . 142 ARG B0 O 0 -13.400904 25.724524 -2.016659 1 2773 1 +ATOM C CB . ARG B0 2 142 . 142 ARG B0 CB 0 -10.538022 24.573086 -1.1464883 1 2774 1 +ATOM C CG . ARG B0 2 142 . 142 ARG B0 CG 0 -10.785587 23.97896 -2.5236976 1 2775 1 +ATOM C CD . ARG B0 2 142 . 142 ARG B0 CD 0 -10.011144 22.689432 -2.6722708 1 2776 1 +ATOM N NE . ARG B0 2 142 . 142 ARG B0 NE 0 -10.0224285 22.159878 -4.0381165 1 2777 1 +ATOM C CZ . ARG B0 2 142 . 142 ARG B0 CZ 0 -11.009586 21.43308 -4.541535 1 2778 1 +ATOM N NH1 . ARG B0 2 142 . 142 ARG B0 NH1 0 -12.07963 21.149996 -3.7971032 1 2779 1 +ATOM N NH2 . ARG B0 2 142 . 142 ARG B0 NH2 0 -10.937756 21.001797 -5.7902427 1 2780 1 +ATOM N N . GLU B0 2 143 . 143 GLU B0 N 0 -13.428034 25.291565 0.20627445 1 2781 1 +ATOM C CA . GLU B0 2 143 . 143 GLU B0 CA 0 -14.848157 24.947474 0.23680201 1 2782 1 +ATOM C C . GLU B0 2 143 . 143 GLU B0 C 0 -15.709777 26.136688 -0.19227347 1 2783 1 +ATOM O O . GLU B0 2 143 . 143 GLU B0 O 0 -15.651356 27.211884 0.4092555 1 2784 1 +ATOM C CB . GLU B0 2 143 . 143 GLU B0 CB 0 -15.2694645 24.485178 1.6321633 1 2785 1 +ATOM C CG . GLU B0 2 143 . 143 GLU B0 CG 0 -14.704336 23.123821 2.0312243 1 2786 1 +ATOM C CD . GLU B0 2 143 . 143 GLU B0 CD 0 -13.219181 23.137463 2.292982 1 2787 1 +ATOM O OE1 . GLU B0 2 143 . 143 GLU B0 OE1 0 -12.562733 22.103148 2.055936 1 2788 1 +ATOM O OE2 . GLU B0 2 143 . 143 GLU B0 OE2 0 -12.69367 24.179195 2.7407281 1 2789 1 +ATOM N N . ALA B0 2 144 . 144 ALA B0 N 0 -16.4816 25.942932 -1.244535 1 2790 1 +ATOM C CA . ALA B0 2 144 . 144 ALA B0 CA 0 -17.384928 26.967995 -1.7653377 1 2791 1 +ATOM C C . ALA B0 2 144 . 144 ALA B0 C 0 -18.56459 26.280207 -2.428841 1 2792 1 +ATOM O O . ALA B0 2 144 . 144 ALA B0 O 0 -18.447803 25.168756 -2.9322987 1 2793 1 +ATOM C CB . ALA B0 2 144 . 144 ALA B0 CB 0 -16.68152 27.886375 -2.7605176 1 2794 1 +ATOM N N . LYS B0 2 145 . 145 LYS B0 N 0 -19.728596 26.954557 -2.4069955 1 2795 1 +ATOM C CA . LYS B0 2 145 . 145 LYS B0 CA 0 -20.928871 26.395433 -3.0061638 1 2796 1 +ATOM C C . LYS B0 2 145 . 145 LYS B0 C 0 -21.443668 27.32581 -4.098896 1 2797 1 +ATOM O O . LYS B0 2 145 . 145 LYS B0 O 0 -21.593847 28.530645 -3.864819 1 2798 1 +ATOM C CB . LYS B0 2 145 . 145 LYS B0 CB 0 -22.017117 26.189577 -1.9404521 1 2799 1 +ATOM C CG . LYS B0 2 145 . 145 LYS B0 CG 0 -23.307125 25.587505 -2.4698699 1 2800 1 +ATOM C CD . LYS B0 2 145 . 145 LYS B0 CD 0 -24.318916 25.423937 -1.3376584 1 2801 1 +ATOM C CE . LYS B0 2 145 . 145 LYS B0 CE 0 -25.627314 24.831757 -1.8503025 1 2802 1 +ATOM N NZ . LYS B0 2 145 . 145 LYS B0 NZ 0 -26.61792 24.696877 -0.76244533 1 2803 1 +ATOM N N . VAL B0 2 146 . 146 VAL B0 N 0 -21.685162 26.75771 -5.2891045 1 2804 1 +ATOM C CA . VAL B0 2 146 . 146 VAL B0 CA 0 -22.203377 27.52621 -6.416422 1 2805 1 +ATOM C C . VAL B0 2 146 . 146 VAL B0 C 0 -23.553146 26.946743 -6.8142004 1 2806 1 +ATOM O O . VAL B0 2 146 . 146 VAL B0 O 0 -23.666573 25.746292 -7.078053 1 2807 1 +ATOM C CB . VAL B0 2 146 . 146 VAL B0 CB 0 -21.248669 27.487272 -7.625418 1 2808 1 +ATOM C CG1 . VAL B0 2 146 . 146 VAL B0 CG1 0 -21.859116 28.25216 -8.802837 1 2809 1 +ATOM C CG2 . VAL B0 2 146 . 146 VAL B0 CG2 0 -19.891518 28.07814 -7.251116 1 2810 1 +ATOM N N . GLN B0 2 147 . 147 GLN B0 N 0 -24.59158 27.795135 -6.8281007 1 2811 1 +ATOM C CA . GLN B0 2 147 . 147 GLN B0 CA 0 -25.924362 27.37434 -7.222047 1 2812 1 +ATOM C C . GLN B0 2 147 . 147 GLN B0 C 0 -26.350742 28.175873 -8.448528 1 2813 1 +ATOM O O . GLN B0 2 147 . 147 GLN B0 O 0 -26.229153 29.410301 -8.4623165 1 2814 1 +ATOM C CB . GLN B0 2 147 . 147 GLN B0 CB 0 -26.927826 27.59768 -6.0863113 1 2815 1 +ATOM C CG . GLN B0 2 147 . 147 GLN B0 CG 0 -26.66691 26.753044 -4.848855 1 2816 1 +ATOM C CD . GLN B0 2 147 . 147 GLN B0 CD 0 -27.523407 25.505882 -4.827546 1 2817 1 +ATOM O OE1 . GLN B0 2 147 . 147 GLN B0 OE1 0 -27.395851 24.660004 -5.7078576 1 2818 1 +ATOM N NE2 . GLN B0 2 147 . 147 GLN B0 NE2 0 -28.394629 25.390676 -3.8327856 1 2819 1 +ATOM N N . TRP B0 2 148 . 148 TRP B0 N 0 -26.84772 27.482845 -9.470747 1 2820 1 +ATOM C CA . TRP B0 2 148 . 148 TRP B0 CA 0 -27.343826 28.137297 -10.666388 1 2821 1 +ATOM C C . TRP B0 2 148 . 148 TRP B0 C 0 -28.866287 28.251272 -10.603911 1 2822 1 +ATOM O O . TRP B0 2 148 . 148 TRP B0 O 0 -29.549463 27.29386 -10.228781 1 2823 1 +ATOM C CB . TRP B0 2 148 . 148 TRP B0 CB 0 -26.935307 27.363132 -11.923371 1 2824 1 +ATOM C CG . TRP B0 2 148 . 148 TRP B0 CG 0 -25.522911 27.566257 -12.353092 1 2825 1 +ATOM C CD1 . TRP B0 2 148 . 148 TRP B0 CD1 0 -24.481968 26.713184 -12.148186 1 2826 1 +ATOM C CD2 . TRP B0 2 148 . 148 TRP B0 CD2 0 -24.996649 28.677406 -13.077887 1 2827 1 +ATOM N NE1 . TRP B0 2 148 . 148 TRP B0 NE1 0 -23.335136 27.225777 -12.696907 1 2828 1 +ATOM C CE2 . TRP B0 2 148 . 148 TRP B0 CE2 0 -23.61622 28.431292 -13.273283 1 2829 1 +ATOM C CE3 . TRP B0 2 148 . 148 TRP B0 CE3 0 -25.554237 29.861286 -13.584885 1 2830 1 +ATOM C CZ2 . TRP B0 2 148 . 148 TRP B0 CZ2 0 -22.79043 29.323744 -13.957616 1 2831 1 +ATOM C CZ3 . TRP B0 2 148 . 148 TRP B0 CZ3 0 -24.731167 30.740772 -14.253609 1 2832 1 +ATOM C CH2 . TRP B0 2 148 . 148 TRP B0 CH2 0 -23.361568 30.474648 -14.432646 1 2833 1 +ATOM N N . LYS B0 2 149 . 149 LYS B0 N 0 -29.383764 29.403942 -10.977812 1 2834 1 +ATOM C CA . LYS B0 2 149 . 149 LYS B0 CA 0 -30.82568 29.625063 -11.033235 1 2835 1 +ATOM C C . LYS B0 2 149 . 149 LYS B0 C 0 -31.187431 30.27126 -12.3649235 1 2836 1 +ATOM O O . LYS B0 2 149 . 149 LYS B0 O 0 -30.542274 31.241846 -12.785061 1 2837 1 +ATOM C CB . LYS B0 2 149 . 149 LYS B0 CB 0 -31.30466 30.50717 -9.87011 1 2838 1 +ATOM C CG . LYS B0 2 149 . 149 LYS B0 CG 0 -31.190231 29.840517 -8.510067 1 2839 1 +ATOM C CD . LYS B0 2 149 . 149 LYS B0 CD 0 -31.714212 30.762028 -7.4085674 1 2840 1 +ATOM C CE . LYS B0 2 149 . 149 LYS B0 CE 0 -31.60875 30.07867 -6.0515103 1 2841 1 +ATOM N NZ . LYS B0 2 149 . 149 LYS B0 NZ 0 -32.058647 30.969713 -4.957544 1 2842 1 +ATOM N N . VAL B0 2 150 . 150 VAL B0 N 0 -32.2147 29.720823 -13.015577 1 2843 1 +ATOM C CA . VAL B0 2 150 . 150 VAL B0 CA 0 -32.70629 30.253077 -14.285103 1 2844 1 +ATOM C C . VAL B0 2 150 . 150 VAL B0 C 0 -34.16072 30.647205 -14.050636 1 2845 1 +ATOM O O . VAL B0 2 150 . 150 VAL B0 O 0 -35.00487 29.786795 -13.7675295 1 2846 1 +ATOM C CB . VAL B0 2 150 . 150 VAL B0 CB 0 -32.603523 29.213703 -15.41655 1 2847 1 +ATOM C CG1 . VAL B0 2 150 . 150 VAL B0 CG1 0 -33.17545 29.794834 -16.713818 1 2848 1 +ATOM C CG2 . VAL B0 2 150 . 150 VAL B0 CG2 0 -31.148796 28.79202 -15.613064 1 2849 1 +ATOM N N . ASP B0 2 151 . 151 ASP B0 N 0 -34.46618 31.958797 -14.14506 1 2850 1 +ATOM C CA . ASP B0 2 151 . 151 ASP B0 CA 0 -35.779236 32.49064 -13.796406 1 2851 1 +ATOM C C . ASP B0 2 151 . 151 ASP B0 C 0 -36.178276 31.999523 -12.406181 1 2852 1 +ATOM O O . ASP B0 2 151 . 151 ASP B0 O 0 -37.30609 31.558796 -12.173114 1 2853 1 +ATOM C CB . ASP B0 2 151 . 151 ASP B0 CB 0 -36.83686 32.1023 -14.838335 1 2854 1 +ATOM C CG . ASP B0 2 151 . 151 ASP B0 CG 0 -36.706047 32.909023 -16.121998 1 2855 1 +ATOM O OD1 . ASP B0 2 151 . 151 ASP B0 OD1 0 -36.067142 33.984764 -16.105392 1 2856 1 +ATOM O OD2 . ASP B0 2 151 . 151 ASP B0 OD2 0 -37.23681 32.465702 -17.160126 1 2857 1 +ATOM N N . ASN B0 2 152 . 152 ASN B0 N 0 -35.206024 32.02375 -11.495613 1 2858 1 +ATOM C CA . ASN B0 2 152 . 152 ASN B0 CA 0 -35.33282 31.642864 -10.088725 1 2859 1 +ATOM C C . ASN B0 2 152 . 152 ASN B0 C 0 -35.56005 30.148499 -9.856995 1 2860 1 +ATOM O O . ASN B0 2 152 . 152 ASN B0 O 0 -35.851177 29.733889 -8.729368 1 2861 1 +ATOM C CB . ASN B0 2 152 . 152 ASN B0 CB 0 -36.446007 32.458702 -9.411123 1 2862 1 +ATOM C CG . ASN B0 2 152 . 152 ASN B0 CG 0 -36.2297 32.601124 -7.916666 1 2863 1 +ATOM O OD1 . ASN B0 2 152 . 152 ASN B0 OD1 0 -35.088345 32.727947 -7.4636297 1 2864 1 +ATOM N ND2 . ASN B0 2 152 . 152 ASN B0 ND2 0 -37.304565 32.57965 -7.151586 1 2865 1 +ATOM N N . ALA B0 2 153 . 153 ALA B0 N 0 -35.411858 29.33281 -10.899199 1 2866 1 +ATOM C CA . ALA B0 2 153 . 153 ALA B0 CA 0 -35.545784 27.889 -10.7609005 1 2867 1 +ATOM C C . ALA B0 2 153 . 153 ALA B0 C 0 -34.15381 27.271465 -10.596327 1 2868 1 +ATOM O O . ALA B0 2 153 . 153 ALA B0 O 0 -33.27662 27.456406 -11.443586 1 2869 1 +ATOM C CB . ALA B0 2 153 . 153 ALA B0 CB 0 -36.25173 27.28901 -11.966393 1 2870 1 +ATOM N N . LEU B0 2 154 . 154 LEU B0 N 0 -33.95572 26.513485 -9.496077 1 2871 1 +ATOM C CA . LEU B0 2 154 . 154 LEU B0 CA 0 -32.662117 25.89423 -9.20877 1 2872 1 +ATOM C C . LEU B0 2 154 . 154 LEU B0 C 0 -32.310074 24.861544 -10.281569 1 2873 1 +ATOM O O . LEU B0 2 154 . 154 LEU B0 O 0 -33.13801 24.017088 -10.639338 1 2874 1 +ATOM C CB . LEU B0 2 154 . 154 LEU B0 CB 0 -32.69639 25.229116 -7.8321514 1 2875 1 +ATOM C CG . LEU B0 2 154 . 154 LEU B0 CG 0 -31.402252 24.573124 -7.3564053 1 2876 1 +ATOM C CD1 . LEU B0 2 154 . 154 LEU B0 CD1 0 -31.64709 23.797043 -6.0664988 1 2877 1 +ATOM C CD2 . LEU B0 2 154 . 154 LEU B0 CD2 0 -30.318981 25.624651 -7.154072 1 2878 1 +ATOM N N . GLN B0 2 155 . 155 GLN B0 N 0 -31.077969 24.926695 -10.754328 1 2879 1 +ATOM C CA . GLN B0 2 155 . 155 GLN B0 CA 0 -30.60764 24.005093 -11.784444 1 2880 1 +ATOM C C . GLN B0 2 155 . 155 GLN B0 C 0 -29.866219 22.834435 -11.1598625 1 2881 1 +ATOM O O . GLN B0 2 155 . 155 GLN B0 O 0 -29.272236 22.958227 -10.083457 1 2882 1 +ATOM C CB . GLN B0 2 155 . 155 GLN B0 CB 0 -29.68393 24.722038 -12.769019 1 2883 1 +ATOM C CG . GLN B0 2 155 . 155 GLN B0 CG 0 -30.329594 25.917492 -13.427723 1 2884 1 +ATOM C CD . GLN B0 2 155 . 155 GLN B0 CD 0 -31.502148 25.52721 -14.303639 1 2885 1 +ATOM O OE1 . GLN B0 2 155 . 155 GLN B0 OE1 0 -31.33958 24.815693 -15.283783 1 2886 1 +ATOM N NE2 . GLN B0 2 155 . 155 GLN B0 NE2 0 -32.69939 25.950272 -13.943861 1 2887 1 +ATOM N N . SER B0 2 156 . 156 SER B0 N 0 -29.905443 21.688852 -11.8471365 1 2888 1 +ATOM C CA . SER B0 2 156 . 156 SER B0 CA 0 -29.158922 20.523636 -11.397062 1 2889 1 +ATOM C C . SER B0 2 156 . 156 SER B0 C 0 -28.822252 19.641605 -12.594593 1 2890 1 +ATOM O O . SER B0 2 156 . 156 SER B0 O 0 -29.636894 19.481161 -13.503792 1 2891 1 +ATOM C CB . SER B0 2 156 . 156 SER B0 CB 0 -29.949486 19.728527 -10.35857 1 2892 1 +ATOM O OG . SER B0 2 156 . 156 SER B0 OG 0 -31.128849 19.186552 -10.915483 1 2893 1 +ATOM N N . GLY B0 2 157 . 157 GLY B0 N 0 -27.613338 19.089596 -12.595707 1 2894 1 +ATOM C CA . GLY B0 2 157 . 157 GLY B0 CA 0 -27.186497 18.161367 -13.628023 1 2895 1 +ATOM C C . GLY B0 2 157 . 157 GLY B0 C 0 -26.713867 18.775501 -14.924309 1 2896 1 +ATOM O O . GLY B0 2 157 . 157 GLY B0 O 0 -26.338707 18.040573 -15.847106 1 2897 1 +ATOM N N . ASN B0 2 158 . 158 ASN B0 N 0 -26.728237 20.096382 -15.023241 1 2898 1 +ATOM C CA . ASN B0 2 158 . 158 ASN B0 CA 0 -26.31891 20.739758 -16.264755 1 2899 1 +ATOM C C . ASN B0 2 158 . 158 ASN B0 C 0 -25.171597 21.729393 -16.088741 1 2900 1 +ATOM O O . ASN B0 2 158 . 158 ASN B0 O 0 -25.001385 22.640644 -16.905777 1 2901 1 +ATOM C CB . ASN B0 2 158 . 158 ASN B0 CB 0 -27.513496 21.427217 -16.945171 1 2902 1 +ATOM C CG . ASN B0 2 158 . 158 ASN B0 CG 0 -28.243507 22.398636 -16.025543 1 2903 1 +ATOM O OD1 . ASN B0 2 158 . 158 ASN B0 OD1 0 -27.88222 22.563093 -14.854343 1 2904 1 +ATOM N ND2 . ASN B0 2 158 . 158 ASN B0 ND2 0 -29.28299 23.044102 -16.54242 1 2905 1 +ATOM N N . SER B0 2 159 . 159 SER B0 N 0 -24.37318 21.529873 -15.045891 1 2906 1 +ATOM C CA . SER B0 2 159 . 159 SER B0 CA 0 -23.217447 22.387398 -14.83172 1 2907 1 +ATOM C C . SER B0 2 159 . 159 SER B0 C 0 -22.024805 21.565899 -14.373781 1 2908 1 +ATOM O O . SER B0 2 159 . 159 SER B0 O 0 -22.181345 20.468298 -13.825986 1 2909 1 +ATOM C CB . SER B0 2 159 . 159 SER B0 CB 0 -23.526482 23.487713 -13.81285 1 2910 1 +ATOM O OG . SER B0 2 159 . 159 SER B0 OG 0 -23.80725 22.94932 -12.539762 1 2911 1 +ATOM N N . GLN B0 2 160 . 160 GLN B0 N 0 -20.831856 22.078281 -14.620262 1 2912 1 +ATOM C CA . GLN B0 2 160 . 160 GLN B0 CA 0 -19.593332 21.426792 -14.195695 1 2913 1 +ATOM C C . GLN B0 2 160 . 160 GLN B0 C 0 -18.642147 22.456985 -13.610525 1 2914 1 +ATOM O O . GLN B0 2 160 . 160 GLN B0 O 0 -18.568695 23.588793 -14.099859 1 2915 1 +ATOM C CB . GLN B0 2 160 . 160 GLN B0 CB 0 -18.924877 20.710625 -15.373167 1 2916 1 +ATOM C CG . GLN B0 2 160 . 160 GLN B0 CG 0 -19.667593 19.471851 -15.841423 1 2917 1 +ATOM C CD . GLN B0 2 160 . 160 GLN B0 CD 0 -18.901333 18.715345 -16.90266 1 2918 1 +ATOM O OE1 . GLN B0 2 160 . 160 GLN B0 OE1 0 -18.781624 19.168982 -18.040798 1 2919 1 +ATOM N NE2 . GLN B0 2 160 . 160 GLN B0 NE2 0 -18.354076 17.564117 -16.533525 1 2920 1 +ATOM N N . GLU B0 2 161 . 161 GLU B0 N 0 -17.905684 22.042961 -12.557465 1 2921 1 +ATOM C CA . GLU B0 2 161 . 161 GLU B0 CA 0 -16.952663 22.918694 -11.889851 1 2922 1 +ATOM C C . GLU B0 2 161 . 161 GLU B0 C 0 -15.514031 22.478703 -12.135305 1 2923 1 +ATOM O O . GLU B0 2 161 . 161 GLU B0 O 0 -15.246163 21.303373 -12.359045 1 2924 1 +ATOM C CB . GLU B0 2 161 . 161 GLU B0 CB 0 -17.201416 22.937988 -10.372837 1 2925 1 +ATOM C CG . GLU B0 2 161 . 161 GLU B0 CG 0 -18.48452 23.6418 -9.961512 1 2926 1 +ATOM C CD . GLU B0 2 161 . 161 GLU B0 CD 0 -18.636932 23.711922 -8.449065 1 2927 1 +ATOM O OE1 . GLU B0 2 161 . 161 GLU B0 OE1 0 -19.61425 24.323196 -7.9768524 1 2928 1 +ATOM O OE2 . GLU B0 2 161 . 161 GLU B0 OE2 0 -17.776192 23.159359 -7.718001 1 2929 1 +ATOM N N . SER B0 2 162 . 162 SER B0 N 0 -14.612814 23.447874 -12.07262 1 2930 1 +ATOM C CA . SER B0 2 162 . 162 SER B0 CA 0 -13.181479 23.178804 -12.153392 1 2931 1 +ATOM C C . SER B0 2 162 . 162 SER B0 C 0 -12.486057 24.135067 -11.185914 1 2932 1 +ATOM O O . SER B0 2 162 . 162 SER B0 O 0 -12.839436 25.319279 -11.125048 1 2933 1 +ATOM C CB . SER B0 2 162 . 162 SER B0 CB 0 -12.669022 23.391214 -13.577492 1 2934 1 +ATOM O OG . SER B0 2 162 . 162 SER B0 OG 0 -11.294332 23.061695 -13.678178 1 2935 1 +ATOM N N . VAL B0 2 163 . 163 VAL B0 N 0 -11.533342 23.609646 -10.413496 1 2936 1 +ATOM C CA . VAL B0 2 163 . 163 VAL B0 CA 0 -10.833793 24.412788 -9.415949 1 2937 1 +ATOM C C . VAL B0 2 163 . 163 VAL B0 C 0 -9.332108 24.366016 -9.670665 1 2938 1 +ATOM O O . VAL B0 2 163 . 163 VAL B0 O 0 -8.783236 23.309608 -9.983124 1 2939 1 +ATOM C CB . VAL B0 2 163 . 163 VAL B0 CB 0 -11.133509 23.910593 -7.989609 1 2940 1 +ATOM C CG1 . VAL B0 2 163 . 163 VAL B0 CG1 0 -10.535288 24.852262 -6.948709 1 2941 1 +ATOM C CG2 . VAL B0 2 163 . 163 VAL B0 CG2 0 -12.636417 23.787231 -7.774881 1 2942 1 +ATOM N N . THR B0 2 164 . 164 THR B0 N 0 -8.677501 25.508465 -9.517338 1 2943 1 +ATOM C CA . THR B0 2 164 . 164 THR B0 CA 0 -7.2307806 25.566875 -9.683073 1 2944 1 +ATOM C C . THR B0 2 164 . 164 THR B0 C 0 -6.5298343 24.945549 -8.477823 1 2945 1 +ATOM O O . THR B0 2 164 . 164 THR B0 O 0 -7.127475 24.77538 -7.4119205 1 2946 1 +ATOM C CB . THR B0 2 164 . 164 THR B0 CB 0 -6.732463 27.023712 -9.8161335 1 2947 1 +ATOM O OG1 . THR B0 2 164 . 164 THR B0 OG1 0 -7.120368 27.759005 -8.648226 1 2948 1 +ATOM C CG2 . THR B0 2 164 . 164 THR B0 CG2 0 -7.2928724 27.693218 -11.055764 1 2949 1 +ATOM N N . GLU B0 2 165 . 165 GLU B0 N 0 -5.2502575 24.612917 -8.640453 1 2950 1 +ATOM C CA . GLU B0 2 165 . 165 GLU B0 CA 0 -4.4257965 24.206764 -7.514757 1 2951 1 +ATOM C C . GLU B0 2 165 . 165 GLU B0 C 0 -4.1831055 25.449566 -6.6686697 1 2952 1 +ATOM O O . GLU B0 2 165 . 165 GLU B0 O 0 -4.3474016 26.584099 -7.1412544 1 2953 1 +ATOM C CB . GLU B0 2 165 . 165 GLU B0 CB 0 -3.0880628 23.636677 -7.997019 1 2954 1 +ATOM C CG . GLU B0 2 165 . 165 GLU B0 CG 0 -3.2077813 22.29702 -8.7179 1 2955 1 +ATOM C CD . GLU B0 2 165 . 165 GLU B0 CD 0 -3.6927214 21.19862 -7.8085966 1 2956 1 +ATOM O OE1 . GLU B0 2 165 . 165 GLU B0 OE1 0 -4.6432714 20.492506 -8.192213 1 2957 1 +ATOM O OE2 . GLU B0 2 165 . 165 GLU B0 OE2 0 -3.1308665 21.034397 -6.696082 1 2958 1 +ATOM N N . GLN B0 2 166 . 166 GLN B0 N 0 -3.8044312 25.24969 -5.421442 1 2959 1 +ATOM C CA . GLN B0 2 166 . 166 GLN B0 CA 0 -3.552773 26.37254 -4.526625 1 2960 1 +ATOM C C . GLN B0 2 166 . 166 GLN B0 C 0 -2.4605908 27.266632 -5.1085978 1 2961 1 +ATOM O O . GLN B0 2 166 . 166 GLN B0 O 0 -1.396677 26.789501 -5.5139637 1 2962 1 +ATOM C CB . GLN B0 2 166 . 166 GLN B0 CB 0 -3.1615725 25.861115 -3.1443548 1 2963 1 +ATOM C CG . GLN B0 2 166 . 166 GLN B0 CG 0 -3.19411 26.933054 -2.070657 1 2964 1 +ATOM C CD . GLN B0 2 166 . 166 GLN B0 CD 0 -3.0468283 26.366035 -0.67541397 1 2965 1 +ATOM O OE1 . GLN B0 2 166 . 166 GLN B0 OE1 0 -2.4068904 25.331362 -0.48173892 1 2966 1 +ATOM N NE2 . GLN B0 2 166 . 166 GLN B0 NE2 0 -3.6383708 27.03617 0.30980718 1 2967 1 +ATOM N N . ASP B0 2 167 . 167 ASP B0 N 0 -2.7268317 28.575474 -5.168527 1 2968 1 +ATOM C CA . ASP B0 2 167 . 167 ASP B0 CA 0 -1.7863827 29.529661 -5.751112 1 2969 1 +ATOM C C . ASP B0 2 167 . 167 ASP B0 C 0 -0.46184242 29.534433 -4.986814 1 2970 1 +ATOM O O . ASP B0 2 167 . 167 ASP B0 O 0 -0.45192367 29.538834 -3.7493937 1 2971 1 +ATOM C CB . ASP B0 2 167 . 167 ASP B0 CB 0 -2.4026685 30.937923 -5.744488 1 2972 1 +ATOM C CG . ASP B0 2 167 . 167 ASP B0 CG 0 -1.5564535 31.946877 -6.4932323 1 2973 1 +ATOM O OD1 . ASP B0 2 167 . 167 ASP B0 OD1 0 -0.7312889 32.630005 -5.8472595 1 2974 1 +ATOM O OD2 . ASP B0 2 167 . 167 ASP B0 OD2 0 -1.7261765 32.058136 -7.718171 1 2975 1 +ATOM N N . SER B0 2 168 . 168 SER B0 N 0 0.653656 29.508556 -5.7111044 1 2976 1 +ATOM C CA . SER B0 2 168 . 168 SER B0 CA 0 1.9675316 29.44292 -5.0988717 1 2977 1 +ATOM C C . SER B0 2 168 . 168 SER B0 C 0 2.3758688 30.736422 -4.397089 1 2978 1 +ATOM O O . SER B0 2 168 . 168 SER B0 O 0 3.2972083 30.723923 -3.5789785 1 2979 1 +ATOM C CB . SER B0 2 168 . 168 SER B0 CB 0 3.0235372 29.08486 -6.14665 1 2980 1 +ATOM O OG . SER B0 2 168 . 168 SER B0 OG 0 3.1187 30.084557 -7.1379886 1 2981 1 +ATOM N N . LYS B0 2 169 . 169 LYS B0 N 0 1.7088075 31.846462 -4.7036743 1 2982 1 +ATOM C CA . LYS B0 2 169 . 169 LYS B0 CA 0 2.0573652 33.132294 -4.116934 1 2983 1 +ATOM C C . LYS B0 2 169 . 169 LYS B0 C 0 1.1569612 33.502853 -2.9423785 1 2984 1 +ATOM O O . LYS B0 2 169 . 169 LYS B0 O 0 1.6470797 33.725285 -1.8366476 1 2985 1 +ATOM C CB . LYS B0 2 169 . 169 LYS B0 CB 0 2.0097842 34.245926 -5.175636 1 2986 1 +ATOM C CG . LYS B0 2 169 . 169 LYS B0 CG 0 3.038509 34.087456 -6.288535 1 2987 1 +ATOM C CD . LYS B0 2 169 . 169 LYS B0 CD 0 4.460237 34.31792 -5.7629576 1 2988 1 +ATOM C CE . LYS B0 2 169 . 169 LYS B0 CE 0 5.48337 34.26515 -6.894037 1 2989 1 +ATOM N NZ . LYS B0 2 169 . 169 LYS B0 NZ 0 6.8618956 34.50004 -6.396158 1 2990 1 +ATOM N N . ASP B0 2 170 . 170 ASP B0 N 0 -0.17422166 33.562542 -3.1783094 1 2991 1 +ATOM C CA . ASP B0 2 170 . 170 ASP B0 CA 0 -1.0806248 33.99165 -2.1158848 1 2992 1 +ATOM C C . ASP B0 2 170 . 170 ASP B0 C 0 -1.894918 32.86299 -1.4888434 1 2993 1 +ATOM O O . ASP B0 2 170 . 170 ASP B0 O 0 -2.7226758 33.123672 -0.6111283 1 2994 1 +ATOM C CB . ASP B0 2 170 . 170 ASP B0 CB 0 -2.0119543 35.109245 -2.6067247 1 2995 1 +ATOM C CG . ASP B0 2 170 . 170 ASP B0 CG 0 -2.9672058 34.672234 -3.7050076 1 2996 1 +ATOM O OD1 . ASP B0 2 170 . 170 ASP B0 OD1 0 -3.130703 33.4561 -3.920328 1 2997 1 +ATOM O OD2 . ASP B0 2 170 . 170 ASP B0 OD2 0 -3.5687132 35.563236 -4.3413353 1 2998 1 +ATOM N N . SER B0 2 171 . 171 SER B0 N 0 -1.6604239 31.617695 -1.8983328 1 2999 1 +ATOM C CA . SER B0 2 171 . 171 SER B0 CA 0 -2.283126 30.42436 -1.3282189 1 3000 1 +ATOM C C . SER B0 2 171 . 171 SER B0 C 0 -3.8053007 30.383894 -1.4652722 1 3001 1 +ATOM O O . SER B0 2 171 . 171 SER B0 O 0 -4.477725 29.695919 -0.70159394 1 3002 1 +ATOM C CB . SER B0 2 171 . 171 SER B0 CB 0 -1.8859183 30.25518 0.14315334 1 3003 1 +ATOM O OG . SER B0 2 171 . 171 SER B0 OG 0 -0.4765524 30.204884 0.2882074 1 3004 1 +ATOM N N . THR B0 2 172 . 172 THR B0 N 0 -4.3604836 31.10654 -2.442542 1 3005 1 +ATOM C CA . THR B0 2 172 . 172 THR B0 CA 0 -5.801758 31.102215 -2.6809587 1 3006 1 +ATOM C C . THR B0 2 172 . 172 THR B0 C 0 -6.177332 30.117096 -3.7819464 1 3007 1 +ATOM O O . THR B0 2 172 . 172 THR B0 O 0 -5.311232 29.559292 -4.460684 1 3008 1 +ATOM C CB . THR B0 2 172 . 172 THR B0 CB 0 -6.3320246 32.500114 -3.0734065 1 3009 1 +ATOM O OG1 . THR B0 2 172 . 172 THR B0 OG1 0 -5.7210264 32.899666 -4.2974863 1 3010 1 +ATOM C CG2 . THR B0 2 172 . 172 THR B0 CG2 0 -6.0528903 33.529842 -1.9847895 1 3011 1 +ATOM N N . TYR B0 2 173 . 173 TYR B0 N 0 -7.487663 29.919891 -3.9432526 1 3012 1 +ATOM C CA . TYR B0 2 173 . 173 TYR B0 CA 0 -8.046841 29.083273 -4.9992847 1 3013 1 +ATOM C C . TYR B0 2 173 . 173 TYR B0 C 0 -8.938781 29.933144 -5.895175 1 3014 1 +ATOM O O . TYR B0 2 173 . 173 TYR B0 O 0 -9.408614 30.998707 -5.497475 1 3015 1 +ATOM C CB . TYR B0 2 173 . 173 TYR B0 CB 0 -8.899103 27.94558 -4.412015 1 3016 1 +ATOM C CG . TYR B0 2 173 . 173 TYR B0 CG 0 -8.137163 26.988686 -3.5284238 1 3017 1 +ATOM C CD1 . TYR B0 2 173 . 173 TYR B0 CD1 0 -8.045099 27.20766 -2.1578403 1 3018 1 +ATOM C CD2 . TYR B0 2 173 . 173 TYR B0 CD2 0 -7.520008 25.868229 -4.0601716 1 3019 1 +ATOM C CE1 . TYR B0 2 173 . 173 TYR B0 CE1 0 -7.3482523 26.334515 -1.3442776 1 3020 1 +ATOM C CE2 . TYR B0 2 173 . 173 TYR B0 CE2 0 -6.8192186 24.986889 -3.2501955 1 3021 1 +ATOM C CZ . TYR B0 2 173 . 173 TYR B0 CZ 0 -6.7405834 25.227667 -1.8935875 1 3022 1 +ATOM O OH . TYR B0 2 173 . 173 TYR B0 OH 0 -6.0490646 24.367748 -1.0920284 1 3023 1 +ATOM N N . SER B0 2 174 . 174 SER B0 N 0 -9.163303 29.439829 -7.1002274 1 3024 1 +ATOM C CA . SER B0 2 174 . 174 SER B0 CA 0 -10.146795 30.035313 -8.005451 1 3025 1 +ATOM C C . SER B0 2 174 . 174 SER B0 C 0 -10.981958 28.897573 -8.57429 1 3026 1 +ATOM O O . SER B0 2 174 . 174 SER B0 O 0 -10.4972515 27.771519 -8.723408 1 3027 1 +ATOM C CB . SER B0 2 174 . 174 SER B0 CB 0 -9.476811 30.832859 -9.126036 1 3028 1 +ATOM O OG . SER B0 2 174 . 174 SER B0 OG 0 -8.856529 32.0074 -8.605762 1 3029 1 +ATOM N N . LEU B0 2 175 . 175 LEU B0 N 0 -12.257788 29.192448 -8.864671 1 3030 1 +ATOM C CA . LEU B0 2 175 . 175 LEU B0 CA 0 -13.174008 28.158224 -9.325849 1 3031 1 +ATOM C C . LEU B0 2 175 . 175 LEU B0 C 0 -14.029544 28.68006 -10.472027 1 3032 1 +ATOM O O . LEU B0 2 175 . 175 LEU B0 O 0 -14.446412 29.847973 -10.450801 1 3033 1 +ATOM C CB . LEU B0 2 175 . 175 LEU B0 CB 0 -14.066059 27.715816 -8.155005 1 3034 1 +ATOM C CG . LEU B0 2 175 . 175 LEU B0 CG 0 -15.156401 26.670765 -8.373705 1 3035 1 +ATOM C CD1 . LEU B0 2 175 . 175 LEU B0 CD1 0 -15.437479 25.929703 -7.071685 1 3036 1 +ATOM C CD2 . LEU B0 2 175 . 175 LEU B0 CD2 0 -16.450193 27.282124 -8.919865 1 3037 1 +ATOM N N . SER B0 2 176 . 176 SER B0 N 0 -14.265271 27.813377 -11.452185 1 3038 1 +ATOM C CA . SER B0 2 176 . 176 SER B0 CA 0 -15.180754 28.140976 -12.5353 1 3039 1 +ATOM C C . SER B0 2 176 . 176 SER B0 C 0 -16.332058 27.149384 -12.520556 1 3040 1 +ATOM O O . SER B0 2 176 . 176 SER B0 O 0 -16.14903 25.965809 -12.233496 1 3041 1 +ATOM C CB . SER B0 2 176 . 176 SER B0 CB 0 -14.482618 28.098087 -13.900789 1 3042 1 +ATOM O OG . SER B0 2 176 . 176 SER B0 OG 0 -14.250041 26.769514 -14.306405 1 3043 1 +ATOM N N . SER B0 2 177 . 177 SER B0 N 0 -17.532635 27.64653 -12.785065 1 3044 1 +ATOM C CA . SER B0 2 177 . 177 SER B0 CA 0 -18.704918 26.790405 -12.929467 1 3045 1 +ATOM C C . SER B0 2 177 . 177 SER B0 C 0 -19.348179 27.15089 -14.264918 1 3046 1 +ATOM O O . SER B0 2 177 . 177 SER B0 O 0 -19.617508 28.327137 -14.523706 1 3047 1 +ATOM C CB . SER B0 2 177 . 177 SER B0 CB 0 -19.699802 27.007332 -11.788172 1 3048 1 +ATOM O OG . SER B0 2 177 . 177 SER B0 OG 0 -20.837296 26.16015 -11.939141 1 3049 1 +ATOM N N . THR B0 2 178 . 178 THR B0 N 0 -19.555626 26.140581 -15.104958 1 3050 1 +ATOM C CA . THR B0 2 178 . 178 THR B0 CA 0 -20.123604 26.376398 -16.428719 1 3051 1 +ATOM C C . THR B0 2 178 . 178 THR B0 C 0 -21.48871 25.700455 -16.549128 1 3052 1 +ATOM O O . THR B0 2 178 . 178 THR B0 O 0 -21.601715 24.488998 -16.407112 1 3053 1 +ATOM C CB . THR B0 2 178 . 178 THR B0 CB 0 -19.191235 25.85641 -17.534428 1 3054 1 +ATOM O OG1 . THR B0 2 178 . 178 THR B0 OG1 0 -17.924744 26.506336 -17.423727 1 3055 1 +ATOM C CG2 . THR B0 2 178 . 178 THR B0 CG2 0 -19.77702 26.145027 -18.921398 1 3056 1 +ATOM N N . LEU B0 2 179 . 179 LEU B0 N 0 -22.516151 26.518866 -16.803572 1 3057 1 +ATOM C CA . LEU B0 2 179 . 179 LEU B0 CA 0 -23.869995 26.029175 -17.0377 1 3058 1 +ATOM C C . LEU B0 2 179 . 179 LEU B0 C 0 -24.042988 25.880121 -18.543766 1 3059 1 +ATOM O O . LEU B0 2 179 . 179 LEU B0 O 0 -23.798893 26.834118 -19.293808 1 3060 1 +ATOM C CB . LEU B0 2 179 . 179 LEU B0 CB 0 -24.900345 27.020466 -16.491096 1 3061 1 +ATOM C CG . LEU B0 2 179 . 179 LEU B0 CG 0 -26.385923 26.690138 -16.724499 1 3062 1 +ATOM C CD1 . LEU B0 2 179 . 179 LEU B0 CD1 0 -27.245514 27.92909 -16.456093 1 3063 1 +ATOM C CD2 . LEU B0 2 179 . 179 LEU B0 CD2 0 -26.814106 25.535706 -15.843097 1 3064 1 +ATOM N N . THR B0 2 180 . 180 THR B0 N 0 -24.435013 24.689495 -18.994083 1 3065 1 +ATOM C CA . THR B0 2 180 . 180 THR B0 CA 0 -24.582401 24.446981 -20.427376 1 3066 1 +ATOM C C . THR B0 2 180 . 180 THR B0 C 0 -26.035713 24.12775 -20.780481 1 3067 1 +ATOM O O . THR B0 2 180 . 180 THR B0 O 0 -26.646187 23.247948 -20.186363 1 3068 1 +ATOM C CB . THR B0 2 180 . 180 THR B0 CB 0 -23.674734 23.305058 -20.893818 1 3069 1 +ATOM O OG1 . THR B0 2 180 . 180 THR B0 OG1 0 -22.319431 23.628954 -20.577154 1 3070 1 +ATOM C CG2 . THR B0 2 180 . 180 THR B0 CG2 0 -23.800823 23.092285 -22.399885 1 3071 1 +ATOM N N . LEU B0 2 181 . 181 LEU B0 N 0 -26.580046 24.867891 -21.759897 1 3072 1 +ATOM C CA . LEU B0 2 181 . 181 LEU B0 CA 0 -27.94178 24.678154 -22.247236 1 3073 1 +ATOM C C . LEU B0 2 181 . 181 LEU B0 C 0 -27.927738 24.711529 -23.76988 1 3074 1 +ATOM O O . LEU B0 2 181 . 181 LEU B0 O 0 -27.00541 25.257996 -24.381023 1 3075 1 +ATOM C CB . LEU B0 2 181 . 181 LEU B0 CB 0 -28.87104 25.788742 -21.75521 1 3076 1 +ATOM C CG . LEU B0 2 181 . 181 LEU B0 CG 0 -29.006723 26.013052 -20.251575 1 3077 1 +ATOM C CD1 . LEU B0 2 181 . 181 LEU B0 CD1 0 -29.818995 27.28291 -20.002083 1 3078 1 +ATOM C CD2 . LEU B0 2 181 . 181 LEU B0 CD2 0 -29.647358 24.816498 -19.589329 1 3079 1 +ATOM N N . SER B0 2 182 . 182 SER B0 N 0 -28.965708 24.125538 -24.37649 1 3080 1 +ATOM C CA . SER B0 2 182 . 182 SER B0 CA 0 -29.111227 24.264093 -25.817322 1 3081 1 +ATOM C C . SER B0 2 182 . 182 SER B0 C 0 -29.525467 25.707672 -26.095398 1 3082 1 +ATOM O O . SER B0 2 182 . 182 SER B0 O 0 -30.056957 26.39346 -25.210526 1 3083 1 +ATOM C CB . SER B0 2 182 . 182 SER B0 CB 0 -30.178923 23.300392 -26.355747 1 3084 1 +ATOM O OG . SER B0 2 182 . 182 SER B0 OG 0 -31.46545 23.662445 -25.874723 1 3085 1 +ATOM N N . LYS B0 2 183 . 183 LYS B0 N 0 -29.296436 26.166481 -27.307438 1 3086 1 +ATOM C CA . LYS B0 2 183 . 183 LYS B0 CA 0 -29.689762 27.527199 -27.659763 1 3087 1 +ATOM C C . LYS B0 2 183 . 183 LYS B0 C 0 -31.190063 27.725174 -27.459332 1 3088 1 +ATOM O O . LYS B0 2 183 . 183 LYS B0 O 0 -31.632677 28.749805 -26.933958 1 3089 1 +ATOM C CB . LYS B0 2 183 . 183 LYS B0 CB 0 -29.31398 27.838875 -29.115227 1 3090 1 +ATOM C CG . LYS B0 2 183 . 183 LYS B0 CG 0 -29.778519 29.21634 -29.58162 1 3091 1 +ATOM C CD . LYS B0 2 183 . 183 LYS B0 CD 0 -29.474096 29.413403 -31.0664 1 3092 1 +ATOM C CE . LYS B0 2 183 . 183 LYS B0 CE 0 -29.993069 30.77043 -31.550598 1 3093 1 +ATOM N NZ . LYS B0 2 183 . 183 LYS B0 NZ 0 -29.72617 30.961674 -32.99254 1 3094 1 +ATOM N N . ALA B0 2 184 . 184 ALA B0 N 0 -31.96775 26.713085 -27.856142 1 3095 1 +ATOM C CA . ALA B0 2 184 . 184 ALA B0 CA 0 -33.42303 26.78482 -27.730743 1 3096 1 +ATOM C C . ALA B0 2 184 . 184 ALA B0 C 0 -33.856308 26.938513 -26.279598 1 3097 1 +ATOM O O . ALA B0 2 184 . 184 ALA B0 O 0 -34.712303 27.769878 -25.965076 1 3098 1 +ATOM C CB . ALA B0 2 184 . 184 ALA B0 CB 0 -34.068275 25.54408 -28.34497 1 3099 1 +ATOM N N . ASP B0 2 185 . 185 ASP B0 N 0 -33.260925 26.138332 -25.375996 1 3100 1 +ATOM C CA . ASP B0 2 185 . 185 ASP B0 CA 0 -33.604073 26.230507 -23.95405 1 3101 1 +ATOM C C . ASP B0 2 185 . 185 ASP B0 C 0 -33.137962 27.557524 -23.371494 1 3102 1 +ATOM O O . ASP B0 2 185 . 185 ASP B0 O 0 -33.833492 28.144066 -22.54158 1 3103 1 +ATOM C CB . ASP B0 2 185 . 185 ASP B0 CB 0 -32.97896 25.066235 -23.173275 1 3104 1 +ATOM C CG . ASP B0 2 185 . 185 ASP B0 CG 0 -33.739727 23.763672 -23.37287 1 3105 1 +ATOM O OD1 . ASP B0 2 185 . 185 ASP B0 OD1 0 -34.90426 23.809504 -23.830738 1 3106 1 +ATOM O OD2 . ASP B0 2 185 . 185 ASP B0 OD2 0 -33.166946 22.695274 -23.067047 1 3107 1 +ATOM N N . TYR B0 2 186 . 186 TYR B0 N 0 -31.95795 28.011887 -23.780218 1 3108 1 +ATOM C CA . TYR B0 2 186 . 186 TYR B0 CA 0 -31.423998 29.28084 -23.278984 1 3109 1 +ATOM C C . TYR B0 2 186 . 186 TYR B0 C 0 -32.352936 30.446127 -23.63223 1 3110 1 +ATOM O O . TYR B0 2 186 . 186 TYR B0 O 0 -32.57193 31.349285 -22.81484 1 3111 1 +ATOM C CB . TYR B0 2 186 . 186 TYR B0 CB 0 -30.030685 29.524193 -23.86219 1 3112 1 +ATOM C CG . TYR B0 2 186 . 186 TYR B0 CG 0 -29.449614 30.878277 -23.507774 1 3113 1 +ATOM C CD1 . TYR B0 2 186 . 186 TYR B0 CD1 0 -29.301382 31.866405 -24.48178 1 3114 1 +ATOM C CD2 . TYR B0 2 186 . 186 TYR B0 CD2 0 -29.03868 31.16248 -22.208683 1 3115 1 +ATOM C CE1 . TYR B0 2 186 . 186 TYR B0 CE1 0 -28.760258 33.09664 -24.162655 1 3116 1 +ATOM C CE2 . TYR B0 2 186 . 186 TYR B0 CE2 0 -28.500652 32.392952 -21.88331 1 3117 1 +ATOM C CZ . TYR B0 2 186 . 186 TYR B0 CZ 0 -28.36242 33.358704 -22.86274 1 3118 1 +ATOM O OH . TYR B0 2 186 . 186 TYR B0 OH 0 -27.82698 34.58107 -22.55085 1 3119 1 +ATOM N N . GLU B0 2 187 . 187 GLU B0 N 0 -32.928864 30.411686 -24.835396 1 3120 1 +ATOM C CA . GLU B0 2 187 . 187 GLU B0 CA 0 -33.78683 31.495003 -25.307335 1 3121 1 +ATOM C C . GLU B0 2 187 . 187 GLU B0 C 0 -35.20498 31.44585 -24.72733 1 3122 1 +ATOM O O . GLU B0 2 187 . 187 GLU B0 O 0 -35.99686 32.35175 -24.967314 1 3123 1 +ATOM C CB . GLU B0 2 187 . 187 GLU B0 CB 0 -33.843323 31.494747 -26.838491 1 3124 1 +ATOM C CG . GLU B0 2 187 . 187 GLU B0 CG 0 -32.500587 31.867348 -27.458988 1 3125 1 +ATOM C CD . GLU B0 2 187 . 187 GLU B0 CD 0 -32.52585 31.90283 -28.973146 1 3126 1 +ATOM O OE1 . GLU B0 2 187 . 187 GLU B0 OE1 0 -31.624249 32.52861 -29.569326 1 3127 1 +ATOM O OE2 . GLU B0 2 187 . 187 GLU B0 OE2 0 -33.441822 31.292448 -29.572866 1 3128 1 +ATOM N N . LYS B0 2 188 . 188 LYS B0 N 0 -35.52324 30.408157 -23.978182 1 3129 1 +ATOM C CA . LYS B0 2 188 . 188 LYS B0 CA 0 -36.833843 30.299278 -23.337555 1 3130 1 +ATOM C C . LYS B0 2 188 . 188 LYS B0 C 0 -36.88701 31.015533 -21.99802 1 3131 1 +ATOM O O . LYS B0 2 188 . 188 LYS B0 O 0 -37.96747 31.148022 -21.408943 1 3132 1 +ATOM C CB . LYS B0 2 188 . 188 LYS B0 CB 0 -37.220085 28.830923 -23.135155 1 3133 1 +ATOM C CG . LYS B0 2 188 . 188 LYS B0 CG 0 -37.49488 28.07825 -24.42275 1 3134 1 +ATOM C CD . LYS B0 2 188 . 188 LYS B0 CD 0 -37.83416 26.62188 -24.12698 1 3135 1 +ATOM C CE . LYS B0 2 188 . 188 LYS B0 CE 0 -38.080574 25.86317 -25.415264 1 3136 1 +ATOM N NZ . LYS B0 2 188 . 188 LYS B0 NZ 0 -38.35058 24.423225 -25.15559 1 3137 1 +ATOM N N . HIS B0 2 189 . 189 HIS B0 N 0 -35.737923 31.45383 -21.486683 1 3138 1 +ATOM C CA . HIS B0 2 189 . 189 HIS B0 CA 0 -35.672657 32.07351 -20.160309 1 3139 1 +ATOM C C . HIS B0 2 189 . 189 HIS B0 C 0 -34.97737 33.41537 -20.213919 1 3140 1 +ATOM O O . HIS B0 2 189 . 189 HIS B0 O 0 -34.28192 33.744595 -21.184498 1 3141 1 +ATOM C CB . HIS B0 2 189 . 189 HIS B0 CB 0 -34.96718 31.134434 -19.173206 1 3142 1 +ATOM C CG . HIS B0 2 189 . 189 HIS B0 CG 0 -35.591106 29.778864 -19.125519 1 3143 1 +ATOM N ND1 . HIS B0 2 189 . 189 HIS B0 ND1 0 -36.762062 29.526758 -18.443083 1 3144 1 +ATOM C CD2 . HIS B0 2 189 . 189 HIS B0 CD2 0 -35.220478 28.60627 -19.6881 1 3145 1 +ATOM C CE1 . HIS B0 2 189 . 189 HIS B0 CE1 0 -37.084106 28.255007 -18.597536 1 3146 1 +ATOM N NE2 . HIS B0 2 189 . 189 HIS B0 NE2 0 -36.159676 27.672775 -19.348185 1 3147 1 +ATOM N N . LYS B0 2 190 . 190 LYS B0 N 0 -35.139664 34.203564 -19.15149 1 3148 1 +ATOM C CA . LYS B0 2 190 . 190 LYS B0 CA 0 -34.626907 35.566044 -19.119858 1 3149 1 +ATOM C C . LYS B0 2 190 . 190 LYS B0 C 0 -33.502785 35.800407 -18.098007 1 3150 1 +ATOM O O . LYS B0 2 190 . 190 LYS B0 O 0 -32.425407 36.27068 -18.467335 1 3151 1 +ATOM C CB . LYS B0 2 190 . 190 LYS B0 CB 0 -35.764824 36.55493 -18.843483 1 3152 1 +ATOM C CG . LYS B0 2 190 . 190 LYS B0 CG 0 -35.31742 38.012962 -18.77621 1 3153 1 +ATOM C CD . LYS B0 2 190 . 190 LYS B0 CD 0 -36.513924 38.9267 -18.53644 1 3154 1 +ATOM C CE . LYS B0 2 190 . 190 LYS B0 CE 0 -36.06747 40.39028 -18.429594 1 3155 1 +ATOM N NZ . LYS B0 2 190 . 190 LYS B0 NZ 0 -37.215427 41.285492 -18.185421 1 3156 1 +ATOM N N . VAL B0 2 191 . 191 VAL B0 N 0 -33.73876 35.462425 -16.823416 1 3157 1 +ATOM C CA . VAL B0 2 191 . 191 VAL B0 CA 0 -32.78187 35.762108 -15.762072 1 3158 1 +ATOM C C . VAL B0 2 191 . 191 VAL B0 C 0 -31.873215 34.567905 -15.466316 1 3159 1 +ATOM O O . VAL B0 2 191 . 191 VAL B0 O 0 -32.350517 33.474567 -15.131897 1 3160 1 +ATOM C CB . VAL B0 2 191 . 191 VAL B0 CB 0 -33.502087 36.2016 -14.468963 1 3161 1 +ATOM C CG1 . VAL B0 2 191 . 191 VAL B0 CG1 0 -32.488697 36.597168 -13.402523 1 3162 1 +ATOM C CG2 . VAL B0 2 191 . 191 VAL B0 CG2 0 -34.457973 37.36043 -14.759241 1 3163 1 +ATOM N N . TYR B0 2 192 . 192 TYR B0 N 0 -30.569374 34.78775 -15.584458 1 3164 1 +ATOM C CA . TYR B0 2 192 . 192 TYR B0 CA 0 -29.569458 33.76839 -15.291153 1 3165 1 +ATOM C C . TYR B0 2 192 . 192 TYR B0 C 0 -28.73864 34.245686 -14.108558 1 3166 1 +ATOM O O . TYR B0 2 192 . 192 TYR B0 O 0 -28.137918 35.322186 -14.162415 1 3167 1 +ATOM C CB . TYR B0 2 192 . 192 TYR B0 CB 0 -28.693592 33.50098 -16.51973 1 3168 1 +ATOM C CG . TYR B0 2 192 . 192 TYR B0 CG 0 -29.462934 32.792736 -17.609886 1 3169 1 +ATOM C CD1 . TYR B0 2 192 . 192 TYR B0 CD1 0 -30.263641 33.504776 -18.491531 1 3170 1 +ATOM C CD2 . TYR B0 2 192 . 192 TYR B0 CD2 0 -29.433762 31.411316 -17.716263 1 3171 1 +ATOM C CE1 . TYR B0 2 192 . 192 TYR B0 CE1 0 -31.012274 32.853615 -19.461971 1 3172 1 +ATOM C CE2 . TYR B0 2 192 . 192 TYR B0 CE2 0 -30.173798 30.753777 -18.68458 1 3173 1 +ATOM C CZ . TYR B0 2 192 . 192 TYR B0 CZ 0 -30.96306 31.479992 -19.548817 1 3174 1 +ATOM O OH . TYR B0 2 192 . 192 TYR B0 OH 0 -31.710434 30.832829 -20.499905 1 3175 1 +ATOM N N . ALA B0 2 193 . 193 ALA B0 N 0 -28.713219 33.429832 -13.046419 1 3176 1 +ATOM C CA . ALA B0 2 193 . 193 ALA B0 CA 0 -28.04045 33.83702 -11.822859 1 3177 1 +ATOM C C . ALA B0 2 193 . 193 ALA B0 C 0 -27.134552 32.748795 -11.259464 1 3178 1 +ATOM O O . ALA B0 2 193 . 193 ALA B0 O 0 -27.439636 31.561863 -11.336887 1 3179 1 +ATOM C CB . ALA B0 2 193 . 193 ALA B0 CB 0 -29.062538 34.25473 -10.771187 1 3180 1 +ATOM N N . CYS B0 2 194 . 194 CYS B0 N 0 -25.990742 33.179707 -10.708633 1 3181 1 +ATOM C CA . CYS B0 2 194 . 194 CYS B0 CA 0 -25.03379 32.312943 -10.033395 1 3182 1 +ATOM C C . CYS B0 2 194 . 194 CYS B0 C 0 -24.965715 32.78572 -8.588012 1 3183 1 +ATOM O O . CYS B0 2 194 . 194 CYS B0 O 0 -24.577015 33.93032 -8.321902 1 3184 1 +ATOM C CB . CYS B0 2 194 . 194 CYS B0 CB 0 -23.66638 32.421883 -10.701308 1 3185 1 +ATOM S SG . CYS B0 2 194 . 194 CYS B0 SG 0 -22.341568 31.569029 -9.863004 1 3186 1 +ATOM N N . GLU B0 2 195 . 195 GLU B0 N 0 -25.355196 31.91417 -7.6172943 1 3187 1 +ATOM C CA . GLU B0 2 195 . 195 GLU B0 CA 0 -25.340534 32.26339 -6.2016706 1 3188 1 +ATOM C C . GLU B0 2 195 . 195 GLU B0 C 0 -24.17474 31.561953 -5.515403 1 3189 1 +ATOM O O . GLU B0 2 195 . 195 GLU B0 O 0 -24.041973 30.335855 -5.600367 1 3190 1 +ATOM C CB . GLU B0 2 195 . 195 GLU B0 CB 0 -26.660704 31.871723 -5.534604 1 3191 1 +ATOM C CG . GLU B0 2 195 . 195 GLU B0 CG 0 -26.762989 32.307 -4.0805254 1 3192 1 +ATOM C CD . GLU B0 2 195 . 195 GLU B0 CD 0 -28.068577 31.882101 -3.439749 1 3193 1 +ATOM O OE1 . GLU B0 2 195 . 195 GLU B0 OE1 0 -28.937943 32.746986 -3.2048411 1 3194 1 +ATOM O OE2 . GLU B0 2 195 . 195 GLU B0 OE2 0 -28.216942 30.663963 -3.195527 1 3195 1 +ATOM N N . VAL B0 2 196 . 196 VAL B0 N 0 -23.346264 32.33424 -4.8320765 1 3196 1 +ATOM C CA . VAL B0 2 196 . 196 VAL B0 CA 0 -22.13432 31.815578 -4.2176332 1 3197 1 +ATOM C C . VAL B0 2 196 . 196 VAL B0 C 0 -22.195759 31.91676 -2.6973553 1 3198 1 +ATOM O O . VAL B0 2 196 . 196 VAL B0 O 0 -22.500195 32.98104 -2.146092 1 3199 1 +ATOM C CB . VAL B0 2 196 . 196 VAL B0 CB 0 -20.890026 32.560905 -4.736502 1 3200 1 +ATOM C CG1 . VAL B0 2 196 . 196 VAL B0 CG1 0 -19.63757 32.09601 -3.9987931 1 3201 1 +ATOM C CG2 . VAL B0 2 196 . 196 VAL B0 CG2 0 -20.742956 32.352013 -6.2387476 1 3202 1 +ATOM N N . THR B0 2 197 . 197 THR B0 N 0 -21.877728 30.785429 -2.036635 1 3203 1 +ATOM C CA . THR B0 2 197 . 197 THR B0 CA 0 -21.797218 30.73376 -0.5831208 1 3204 1 +ATOM C C . THR B0 2 197 . 197 THR B0 C 0 -20.356518 30.373528 -0.21459873 1 3205 1 +ATOM O O . THR B0 2 197 . 197 THR B0 O 0 -19.792389 29.425323 -0.7556426 1 3206 1 +ATOM C CB . THR B0 2 197 . 197 THR B0 CB 0 -22.762787 29.692886 -0.00149699 1 3207 1 +ATOM O OG1 . THR B0 2 197 . 197 THR B0 OG1 0 -24.103218 30.018986 -0.39970893 1 3208 1 +ATOM C CG2 . THR B0 2 197 . 197 THR B0 CG2 0 -22.68592 29.655975 1.5155984 1 3209 1 +ATOM N N . HIS B0 2 198 . 198 HIS B0 N 0 -19.768377 31.14021 0.698863 1 3210 1 +ATOM C CA . HIS B0 2 198 . 198 HIS B0 CA 0 -18.384338 30.919798 1.1234889 1 3211 1 +ATOM C C . HIS B0 2 198 . 198 HIS B0 C 0 -18.181305 31.49862 2.5190039 1 3212 1 +ATOM O O . HIS B0 2 198 . 198 HIS B0 O 0 -18.841038 32.478313 2.8900666 1 3213 1 +ATOM C CB . HIS B0 2 198 . 198 HIS B0 CB 0 -17.402609 31.561554 0.13830021 1 3214 1 +ATOM C CG . HIS B0 2 198 . 198 HIS B0 CG 0 -15.971027 31.272392 0.4450072 1 3215 1 +ATOM N ND1 . HIS B0 2 198 . 198 HIS B0 ND1 0 -15.165783 32.13888 1.1631463 1 3216 1 +ATOM C CD2 . HIS B0 2 198 . 198 HIS B0 CD2 0 -15.192736 30.211615 0.13021353 1 3217 1 +ATOM C CE1 . HIS B0 2 198 . 198 HIS B0 CE1 0 -13.966659 31.61339 1.2800276 1 3218 1 +ATOM N NE2 . HIS B0 2 198 . 198 HIS B0 NE2 0 -13.944598 30.4493 0.65835345 1 3219 1 +ATOM N N . GLN B0 2 199 . 199 GLN B0 N 0 -17.281826 30.90268 3.2809138 1 3220 1 +ATOM C CA . GLN B0 2 199 . 199 GLN B0 CA 0 -17.012745 31.316526 4.656554 1 3221 1 +ATOM C C . GLN B0 2 199 . 199 GLN B0 C 0 -16.63434 32.798004 4.7600045 1 3222 1 +ATOM O O . GLN B0 2 199 . 199 GLN B0 O 0 -16.942875 33.45747 5.7581744 1 3223 1 +ATOM C CB . GLN B0 2 199 . 199 GLN B0 CB 0 -15.900999 30.443668 5.2461247 1 3224 1 +ATOM C CG . GLN B0 2 199 . 199 GLN B0 CG 0 -15.580713 30.764763 6.7013264 1 3225 1 +ATOM C CD . GLN B0 2 199 . 199 GLN B0 CD 0 -14.447006 29.910757 7.237063 1 3226 1 +ATOM O OE1 . GLN B0 2 199 . 199 GLN B0 OE1 0 -14.18077 28.82484 6.717921 1 3227 1 +ATOM N NE2 . GLN B0 2 199 . 199 GLN B0 NE2 0 -13.770182 30.39135 8.274016 1 3228 1 +ATOM N N . GLY B0 2 200 . 200 GLY B0 N 0 -15.97525 33.316273 3.7336755 1 3229 1 +ATOM C CA . GLY B0 2 200 . 200 GLY B0 CA 0 -15.544598 34.705917 3.7310243 1 3230 1 +ATOM C C . GLY B0 2 200 . 200 GLY B0 C 0 -16.639164 35.708717 3.3981051 1 3231 1 +ATOM O O . GLY B0 2 200 . 200 GLY B0 O 0 -16.406296 36.921547 3.431532 1 3232 1 +ATOM N N . LEU B0 2 201 . 201 LEU B0 N 0 -17.845963 35.213585 3.0871816 1 3233 1 +ATOM C CA . LEU B0 2 201 . 201 LEU B0 CA 0 -18.9825 36.06436 2.7661939 1 3234 1 +ATOM C C . LEU B0 2 201 . 201 LEU B0 C 0 -19.992188 36.036446 3.9088094 1 3235 1 +ATOM O O . LEU B0 2 201 . 201 LEU B0 O 0 -20.37238 34.961567 4.3687944 1 3236 1 +ATOM C CB . LEU B0 2 201 . 201 LEU B0 CB 0 -19.656527 35.596855 1.4687748 1 3237 1 +ATOM C CG . LEU B0 2 201 . 201 LEU B0 CG 0 -18.799685 35.602554 0.19870928 1 3238 1 +ATOM C CD1 . LEU B0 2 201 . 201 LEU B0 CD1 0 -19.52576 34.87509 -0.9296261 1 3239 1 +ATOM C CD2 . LEU B0 2 201 . 201 LEU B0 CD2 0 -18.451859 37.024548 -0.21108265 1 3240 1 +ATOM N N . SER B0 2 202 . 202 SER B0 N 0 -20.419662 37.20221 4.3556304 1 3241 1 +ATOM C CA . SER B0 2 202 . 202 SER B0 CA 0 -21.383762 37.275375 5.451096 1 3242 1 +ATOM C C . SER B0 2 202 . 202 SER B0 C 0 -22.749065 36.741295 5.0343857 1 3243 1 +ATOM O O . SER B0 2 202 . 202 SER B0 O 0 -23.520813 36.279335 5.877781 1 3244 1 +ATOM C CB . SER B0 2 202 . 202 SER B0 CB 0 -21.517006 38.71726 5.9485846 1 3245 1 +ATOM O OG . SER B0 2 202 . 202 SER B0 OG 0 -21.949474 39.582336 4.913824 1 3246 1 +ATOM N N . SER B0 2 203 . 203 SER B0 N 0 -23.042524 36.808228 3.7441912 1 3247 1 +ATOM C CA . SER B0 2 203 . 203 SER B0 CA 0 -24.271217 36.264328 3.1773014 1 3248 1 +ATOM C C . SER B0 2 203 . 203 SER B0 C 0 -23.999344 35.87673 1.732469 1 3249 1 +ATOM O O . SER B0 2 203 . 203 SER B0 O 0 -23.036795 36.358856 1.1258471 1 3250 1 +ATOM C CB . SER B0 2 203 . 203 SER B0 CB 0 -25.412489 37.287457 3.2493944 1 3251 1 +ATOM O OG . SER B0 2 203 . 203 SER B0 OG 0 -25.098225 38.458412 2.519267 1 3252 1 +ATOM N N . PRO B0 2 204 . 204 PRO B0 N 0 -24.796864 34.958008 1.1637914 1 3253 1 +ATOM C CA . PRO B0 2 204 . 204 PRO B0 CA 0 -24.560791 34.540615 -0.22095367 1 3254 1 +ATOM C C . PRO B0 2 204 . 204 PRO B0 C 0 -24.550102 35.725956 -1.1797009 1 3255 1 +ATOM O O . PRO B0 2 204 . 204 PRO B0 O 0 -25.325783 36.670532 -1.0183098 1 3256 1 +ATOM C CB . PRO B0 2 204 . 204 PRO B0 CB 0 -25.729977 33.592773 -0.5064709 1 3257 1 +ATOM C CG . PRO B0 2 204 . 204 PRO B0 CG 0 -26.095085 33.04566 0.83523655 1 3258 1 +ATOM C CD . PRO B0 2 204 . 204 PRO B0 CD 0 -25.909216 34.21003 1.7725065 1 3259 1 +ATOM N N . VAL B0 2 205 . 205 VAL B0 N 0 -23.648964 35.650806 -2.1657858 1 3260 1 +ATOM C CA . VAL B0 2 205 . 205 VAL B0 CA 0 -23.539188 36.690266 -3.1874793 1 3261 1 +ATOM C C . VAL B0 2 205 . 205 VAL B0 C 0 -24.112194 36.14262 -4.4847145 1 3262 1 +ATOM O O . VAL B0 2 205 . 205 VAL B0 O 0 -23.792519 35.013317 -4.877758 1 3263 1 +ATOM C CB . VAL B0 2 205 . 205 VAL B0 CB 0 -22.074505 37.123444 -3.4045634 1 3264 1 +ATOM C CG1 . VAL B0 2 205 . 205 VAL B0 CG1 0 -21.945183 38.003555 -4.6504145 1 3265 1 +ATOM C CG2 . VAL B0 2 205 . 205 VAL B0 CG2 0 -21.562885 37.86556 -2.1785283 1 3266 1 +ATOM N N . THR B0 2 206 . 206 THR B0 N 0 -24.962374 36.93068 -5.142768 1 3267 1 +ATOM C CA . THR B0 2 206 . 206 THR B0 CA 0 -25.561476 36.514854 -6.4022346 1 3268 1 +ATOM C C . THR B0 2 206 . 206 THR B0 C 0 -25.163902 37.47268 -7.5220118 1 3269 1 +ATOM O O . THR B0 2 206 . 206 THR B0 O 0 -25.2733 38.68775 -7.372939 1 3270 1 +ATOM C CB . THR B0 2 206 . 206 THR B0 CB 0 -27.093937 36.469437 -6.3022757 1 3271 1 +ATOM O OG1 . THR B0 2 206 . 206 THR B0 OG1 0 -27.48317 35.50546 -5.318163 1 3272 1 +ATOM C CG2 . THR B0 2 206 . 206 THR B0 CG2 0 -27.718458 36.075085 -7.6441092 1 3273 1 +ATOM N N . LYS B0 2 207 . 207 LYS B0 N 0 -24.671066 36.90166 -8.606517 1 3274 1 +ATOM C CA . LYS B0 2 207 . 207 LYS B0 CA 0 -24.36406 37.66084 -9.817709 1 3275 1 +ATOM C C . LYS B0 2 207 . 207 LYS B0 C 0 -25.327934 37.18264 -10.888117 1 3276 1 +ATOM O O . LYS B0 2 207 . 207 LYS B0 O 0 -25.551155 35.968178 -11.029671 1 3277 1 +ATOM C CB . LYS B0 2 207 . 207 LYS B0 CB 0 -22.920584 37.44885 -10.263527 1 3278 1 +ATOM C CG . LYS B0 2 207 . 207 LYS B0 CG 0 -21.884716 38.03841 -9.309799 1 3279 1 +ATOM C CD . LYS B0 2 207 . 207 LYS B0 CD 0 -21.950016 39.56389 -9.274944 1 3280 1 +ATOM C CE . LYS B0 2 207 . 207 LYS B0 CE 0 -20.866724 40.12355 -8.3575 1 3281 1 +ATOM N NZ . LYS B0 2 207 . 207 LYS B0 NZ 0 -20.905018 41.595955 -8.303223 1 3282 1 +ATOM N N . SER B0 2 208 . 208 SER B0 N 0 -25.932457 38.115776 -11.6440325 1 3283 1 +ATOM C CA . SER B0 2 208 . 208 SER B0 CA 0 -26.92823 37.72091 -12.628431 1 3284 1 +ATOM C C . SER B0 2 208 . 208 SER B0 C 0 -26.937336 38.658356 -13.832321 1 3285 1 +ATOM O O . SER B0 2 208 . 208 SER B0 O 0 -26.34166 39.735527 -13.802819 1 3286 1 +ATOM C CB . SER B0 2 208 . 208 SER B0 CB 0 -28.327713 37.688835 -11.993244 1 3287 1 +ATOM O OG . SER B0 2 208 . 208 SER B0 OG 0 -28.72586 38.985847 -11.580393 1 3288 1 +ATOM N N . PHE B0 2 209 . 209 PHE B0 N 0 -27.627338 38.238445 -14.878648 1 3289 1 +ATOM C CA . PHE B0 2 209 . 209 PHE B0 CA 0 -27.827251 39.057007 -16.071291 1 3290 1 +ATOM C C . PHE B0 2 209 . 209 PHE B0 C 0 -29.158358 38.686325 -16.709915 1 3291 1 +ATOM O O . PHE B0 2 209 . 209 PHE B0 O 0 -29.709953 37.61184 -16.437609 1 3292 1 +ATOM C CB . PHE B0 2 209 . 209 PHE B0 CB 0 -26.678041 38.89189 -17.083977 1 3293 1 +ATOM C CG . PHE B0 2 209 . 209 PHE B0 CG 0 -26.608599 37.530365 -17.727037 1 3294 1 +ATOM C CD1 . PHE B0 2 209 . 209 PHE B0 CD1 0 -25.804634 36.539654 -17.18544 1 3295 1 +ATOM C CD2 . PHE B0 2 209 . 209 PHE B0 CD2 0 -27.318176 37.24245 -18.87225 1 3296 1 +ATOM C CE1 . PHE B0 2 209 . 209 PHE B0 CE1 0 -25.720564 35.284523 -17.779476 1 3297 1 +ATOM C CE2 . PHE B0 2 209 . 209 PHE B0 CE2 0 -27.242405 35.989906 -19.469688 1 3298 1 +ATOM C CZ . PHE B0 2 209 . 209 PHE B0 CZ 0 -26.445972 35.007313 -18.920462 1 3299 1 +ATOM N N . ASN B0 2 210 . 210 ASN B0 N 0 -29.66275 39.58165 -17.52198 1 3300 1 +ATOM C CA . ASN B0 2 210 . 210 ASN B0 CA 0 -30.88781 39.3315 -18.270374 1 3301 1 +ATOM C C . ASN B0 2 210 . 210 ASN B0 C 0 -30.521116 39.053528 -19.720173 1 3302 1 +ATOM O O . ASN B0 2 210 . 210 ASN B0 O 0 -29.802776 39.847473 -20.342014 1 3303 1 +ATOM C CB . ASN B0 2 210 . 210 ASN B0 CB 0 -31.827515 40.539215 -18.202003 1 3304 1 +ATOM C CG . ASN B0 2 210 . 210 ASN B0 CG 0 -32.337692 40.81523 -16.801815 1 3305 1 +ATOM O OD1 . ASN B0 2 210 . 210 ASN B0 OD1 0 -32.506172 39.88842 -16.017284 1 3306 1 +ATOM N ND2 . ASN B0 2 210 . 210 ASN B0 ND2 0 -32.58794 42.079113 -16.48528 1 3307 1 +ATOM N N . ARG B0 2 211 . 211 ARG B0 N 0 -30.991676 37.931534 -20.272234 1 3308 1 +ATOM C CA . ARG B0 2 211 . 211 ARG B0 CA 0 -30.67396 37.530823 -21.633837 1 3309 1 +ATOM C C . ARG B0 2 211 . 211 ARG B0 C 0 -31.094862 38.63143 -22.620308 1 3310 1 +ATOM O O . ARG B0 2 211 . 211 ARG B0 O 0 -32.205265 39.155865 -22.545218 1 3311 1 +ATOM C CB . ARG B0 2 211 . 211 ARG B0 CB 0 -31.370426 36.216705 -22.003498 1 3312 1 +ATOM C CG . ARG B0 2 211 . 211 ARG B0 CG 0 -31.086693 35.74026 -23.416332 1 3313 1 +ATOM C CD . ARG B0 2 211 . 211 ARG B0 CD 0 -31.899645 34.498573 -23.782003 1 3314 1 +ATOM N NE . ARG B0 2 211 . 211 ARG B0 NE 0 -33.326103 34.688656 -23.550533 1 3315 1 +ATOM C CZ . ARG B0 2 211 . 211 ARG B0 CZ 0 -34.127457 35.36536 -24.349983 1 3316 1 +ATOM N NH1 . ARG B0 2 211 . 211 ARG B0 NH1 0 -35.424065 35.488132 -24.053165 1 3317 1 +ATOM N NH2 . ARG B0 2 211 . 211 ARG B0 NH2 0 -33.6575 35.904507 -25.460217 1 3318 1 +ATOM N N . GLY B0 2 212 . 212 GLY B0 N 0 -30.205486 38.970966 -23.516075 1 3319 1 +ATOM C CA . GLY B0 2 212 . 212 GLY B0 CA 0 -30.483128 39.96444 -24.532057 1 3320 1 +ATOM C C . GLY B0 2 212 . 212 GLY B0 C 0 -30.195107 41.405552 -24.143677 1 3321 1 +ATOM O O . GLY B0 2 212 . 212 GLY B0 O 0 -30.383224 42.314217 -24.96902 1 3322 1 +ATOM N N . GLU B0 2 213 . 213 GLU B0 N 0 -29.7527 41.60694 -22.920914 1 3323 1 +ATOM C CA . GLU B0 2 213 . 213 GLU B0 CA 0 -29.458496 42.958138 -22.461285 1 3324 1 +ATOM C C . GLU B0 2 213 . 213 GLU B0 C 0 -27.947258 43.209618 -22.413956 1 3325 1 +ATOM O O . GLU B0 2 213 . 213 GLU B0 O 0 -27.140434 42.29802 -22.63213 1 3326 1 +ATOM C CB . GLU B0 2 213 . 213 GLU B0 CB 0 -30.046207 43.20872 -21.060375 1 3327 1 +ATOM C CG . GLU B0 2 213 . 213 GLU B0 CG 0 -31.55248 43.12524 -21.043324 1 3328 1 +ATOM C CD . GLU B0 2 213 . 213 GLU B0 CD 0 -32.11258 43.399635 -19.663017 1 3329 1 +ATOM O OE1 . GLU B0 2 213 . 213 GLU B0 OE1 0 -33.34494 43.343964 -19.507872 1 3330 1 +ATOM O OE2 . GLU B0 2 213 . 213 GLU B0 OE2 0 -31.332644 43.678368 -18.727192 1 3331 1 +ATOM O OXT . GLU B0 2 213 . 213 GLU B0 OXT 0 -27.516403 44.316963 -22.108082 1 3332 1 +ATOM N N . SER C0 3 1 . 1 SER C0 N 0 39.765427 -6.3338265 24.8841 1 3333 1 +ATOM C CA . SER C0 3 1 . 1 SER C0 CA 0 39.736763 -5.370118 23.78447 1 3334 1 +ATOM C C . SER C0 3 1 . 1 SER C0 C 0 39.464203 -3.9632602 24.296799 1 3335 1 +ATOM O O . SER C0 3 1 . 1 SER C0 O 0 38.994026 -3.772633 25.42538 1 3336 1 +ATOM C CB . SER C0 3 1 . 1 SER C0 CB 0 38.660522 -5.7633595 22.762356 1 3337 1 +ATOM O OG . SER C0 3 1 . 1 SER C0 OG 0 37.359108 -5.609991 23.3014 1 3338 1 +ATOM N N . LEU C0 3 2 . 2 LEU C0 N 0 39.774826 -3.0001564 23.477242 1 3339 1 +ATOM C CA . LEU C0 3 2 . 2 LEU C0 CA 0 39.512775 -1.6140727 23.852173 1 3340 1 +ATOM C C . LEU C0 3 2 . 2 LEU C0 C 0 38.01146 -1.3506713 23.976978 1 3341 1 +ATOM O O . LEU C0 3 2 . 2 LEU C0 O 0 37.583572 -0.5697474 24.832096 1 3342 1 +ATOM C CB . LEU C0 3 2 . 2 LEU C0 CB 0 40.117813 -0.65876305 22.809513 1 3343 1 +ATOM C CG . LEU C0 3 2 . 2 LEU C0 CG 0 41.647057 -0.54663706 22.827604 1 3344 1 +ATOM C CD1 . LEU C0 3 2 . 2 LEU C0 CD1 0 42.120773 0.34897137 21.683495 1 3345 1 +ATOM C CD2 . LEU C0 3 2 . 2 LEU C0 CD2 0 42.150703 -0.019894525 24.1572 1 3346 1 +ATOM N N . ASP C0 3 3 . 3 ASP C0 N 0 37.24775 -2.0064168 23.142063 1 3347 1 +ATOM C CA . ASP C0 3 3 . 3 ASP C0 CA 0 35.7921 -1.8543853 23.223827 1 3348 1 +ATOM C C . ASP C0 3 3 . 3 ASP C0 C 0 35.27562 -2.364515 24.565231 1 3349 1 +ATOM O O . ASP C0 3 3 . 3 ASP C0 O 0 34.437492 -1.716856 25.198044 1 3350 1 +ATOM C CB . ASP C0 3 3 . 3 ASP C0 CB 0 35.10707 -2.6035905 22.083439 1 3351 1 +ATOM C CG . ASP C0 3 3 . 3 ASP C0 CG 0 35.294632 -1.9323007 20.738625 1 3352 1 +ATOM O OD1 . ASP C0 3 3 . 3 ASP C0 OD1 0 35.43628 -0.694183 20.694834 1 3353 1 +ATOM O OD2 . ASP C0 3 3 . 3 ASP C0 OD2 0 35.29444 -2.6425104 19.717888 1 3354 1 +ATOM N N . GLU C0 3 4 . 4 GLU C0 N 0 35.76568 -3.5147414 25.003864 1 3355 1 +ATOM C CA . GLU C0 3 4 . 4 GLU C0 CA 0 35.371994 -4.084003 26.289358 1 3356 1 +ATOM C C . GLU C0 3 4 . 4 GLU C0 C 0 35.841583 -3.180981 27.43669 1 3357 1 +ATOM O O . GLU C0 3 4 . 4 GLU C0 O 0 35.137093 -3.014813 28.4379 1 3358 1 +ATOM C CB . GLU C0 3 4 . 4 GLU C0 CB 0 35.962456 -5.4913597 26.43646 1 3359 1 +ATOM C CG . GLU C0 3 4 . 4 GLU C0 CG 0 35.666397 -6.157378 27.79197 1 3360 1 +ATOM C CD . GLU C0 3 4 . 4 GLU C0 CD 0 34.226616 -6.581279 27.936214 1 3361 1 +ATOM O OE1 . GLU C0 3 4 . 4 GLU C0 OE1 0 33.52987 -6.7484665 26.916798 1 3362 1 +ATOM O OE2 . GLU C0 3 4 . 4 GLU C0 OE2 0 33.76669 -6.7318344 29.083765 1 3363 1 +ATOM N N . LYS C0 3 5 . 5 LYS C0 N 0 37.03334 -2.59998 27.28 1 3364 1 +ATOM C CA . LYS C0 3 5 . 5 LYS C0 CA 0 37.615578 -1.7607304 28.317375 1 3365 1 +ATOM C C . LYS C0 3 5 . 5 LYS C0 C 0 36.815212 -0.48183432 28.546509 1 3366 1 +ATOM O O . LYS C0 3 5 . 5 LYS C0 O 0 36.740433 0.0118019795 29.677908 1 3367 1 +ATOM C CB . LYS C0 3 5 . 5 LYS C0 CB 0 39.064716 -1.4215329 27.941467 1 3368 1 +ATOM C CG . LYS C0 3 5 . 5 LYS C0 CG 0 39.816444 -0.5956738 28.988663 1 3369 1 +ATOM C CD . LYS C0 3 5 . 5 LYS C0 CD 0 41.259937 -0.36794525 28.538065 1 3370 1 +ATOM C CE . LYS C0 3 5 . 5 LYS C0 CE 0 42.025322 0.44160303 29.576153 1 3371 1 +ATOM N NZ . LYS C0 3 5 . 5 LYS C0 NZ 0 43.434586 0.66051567 29.150661 1 3372 1 +ATOM N N . ASN C0 3 6 . 6 ASN C0 N 0 36.195053 0.04327993 27.486649 1 3373 1 +ATOM C CA . ASN C0 3 6 . 6 ASN C0 CA 0 35.462303 1.300071 27.577213 1 3374 1 +ATOM C C . ASN C0 3 6 . 6 ASN C0 C 0 33.940002 1.123189 27.576868 1 3375 1 +ATOM O O . ASN C0 3 6 . 6 ASN C0 O 0 33.203144 2.0943587 27.4124 1 3376 1 +ATOM C CB . ASN C0 3 6 . 6 ASN C0 CB 0 35.87462 2.2242012 26.41703 1 3377 1 +ATOM C CG . ASN C0 3 6 . 6 ASN C0 CG 0 37.33284 2.626371 26.487173 1 3378 1 +ATOM O OD1 . ASN C0 3 6 . 6 ASN C0 OD1 0 37.7219 3.4173782 27.351452 1 3379 1 +ATOM N ND2 . ASN C0 3 6 . 6 ASN C0 ND2 0 38.155174 2.0897198 25.586193 1 3380 1 +ATOM N N . SER C0 3 7 . 7 SER C0 N 0 33.48555 -0.12123087 27.77934 1 3381 1 +ATOM C CA . SER C0 3 7 . 7 SER C0 CA 0 32.05007 -0.40658194 27.717617 1 3382 1 +ATOM C C . SER C0 3 7 . 7 SER C0 C 0 31.613874 -1.3691148 28.816753 1 3383 1 +ATOM O O . SER C0 3 7 . 7 SER C0 O 0 32.443676 -1.9956639 29.471556 1 3384 1 +ATOM C CB . SER C0 3 7 . 7 SER C0 CB 0 31.67899 -0.983911 26.352793 1 3385 1 +ATOM O OG . SER C0 3 7 . 7 SER C0 OG 0 32.08255 -0.13881603 25.294544 1 3386 1 +ATOM N N . VAL C0 3 8 . 8 VAL C0 N 0 30.303154 -1.4690814 28.988647 1 3387 1 +ATOM C CA . VAL C0 3 8 . 8 VAL C0 CA 0 29.71481 -2.4139495 29.92198 1 3388 1 +ATOM C C . VAL C0 3 8 . 8 VAL C0 C 0 29.094799 -3.5421638 29.094831 1 3389 1 +ATOM O O . VAL C0 3 8 . 8 VAL C0 O 0 28.388165 -3.2830877 28.108288 1 3390 1 +ATOM C CB . VAL C0 3 8 . 8 VAL C0 CB 0 28.636536 -1.7305189 30.794765 1 3391 1 +ATOM C CG1 . VAL C0 3 8 . 8 VAL C0 CG1 0 27.912079 -2.7570632 31.642036 1 3392 1 +ATOM C CG2 . VAL C0 3 8 . 8 VAL C0 CG2 0 29.259436 -0.65423 31.664886 1 3393 1 +ATOM N N . SER C0 3 9 . 9 SER C0 N 0 29.351948 -4.7905784 29.467384 1 3394 1 +ATOM C CA . SER C0 3 9 . 9 SER C0 CA 0 28.842201 -5.946996 28.741787 1 3395 1 +ATOM C C . SER C0 3 9 . 9 SER C0 C 0 27.460651 -6.342904 29.267067 1 3396 1 +ATOM O O . SER C0 3 9 . 9 SER C0 O 0 27.270487 -6.480708 30.476404 1 3397 1 +ATOM C CB . SER C0 3 9 . 9 SER C0 CB 0 29.809486 -7.1155896 28.862087 1 3398 1 +ATOM O OG . SER C0 3 9 . 9 SER C0 OG 0 29.365421 -8.226795 28.114153 1 3399 1 +ATOM N N . VAL C0 3 10 . 10 VAL C0 N 0 26.495708 -6.520774 28.350853 1 3400 1 +ATOM C CA . VAL C0 3 10 . 10 VAL C0 CA 0 25.140703 -6.9105177 28.711662 1 3401 1 +ATOM C C . VAL C0 3 10 . 10 VAL C0 C 0 24.795639 -8.209235 27.987392 1 3402 1 +ATOM O O . VAL C0 3 10 . 10 VAL C0 O 0 24.94432 -8.304756 26.76484 1 3403 1 +ATOM C CB . VAL C0 3 10 . 10 VAL C0 CB 0 24.120613 -5.810483 28.330528 1 3404 1 +ATOM C CG1 . VAL C0 3 10 . 10 VAL C0 CG1 0 22.703827 -6.2578716 28.644735 1 3405 1 +ATOM C CG2 . VAL C0 3 10 . 10 VAL C0 CG2 0 24.441143 -4.504737 29.049053 1 3406 1 +ATOM N N . ASP C0 3 11 . 11 ASP C0 N 0 24.33123 -9.215394 28.746042 1 3407 1 +ATOM C CA . ASP C0 3 11 . 11 ASP C0 CA 0 23.943218 -10.500366 28.169033 1 3408 1 +ATOM C C . ASP C0 3 11 . 11 ASP C0 C 0 22.578306 -10.383264 27.491394 1 3409 1 +ATOM O O . ASP C0 3 11 . 11 ASP C0 O 0 21.662632 -9.7357235 28.009357 1 3410 1 +ATOM C CB . ASP C0 3 11 . 11 ASP C0 CB 0 23.890017 -11.584286 29.248627 1 3411 1 +ATOM C CG . ASP C0 3 11 . 11 ASP C0 CG 0 25.265678 -11.95164 29.767319 1 3412 1 +ATOM O OD1 . ASP C0 3 11 . 11 ASP C0 OD1 0 26.223469 -11.937297 28.974104 1 3413 1 +ATOM O OD2 . ASP C0 3 11 . 11 ASP C0 OD2 0 25.376421 -12.26193 30.96899 1 3414 1 +ATOM N N . LEU C0 3 12 . 12 LEU C0 N 0 22.43652 -11.027923 26.326874 1 3415 1 +ATOM C CA . LEU C0 3 12 . 12 LEU C0 CA 0 21.209995 -10.985614 25.54379 1 3416 1 +ATOM C C . LEU C0 3 12 . 12 LEU C0 C 0 20.707493 -12.388229 25.23885 1 3417 1 +ATOM O O . LEU C0 3 12 . 12 LEU C0 O 0 21.479471 -13.350055 25.286015 1 3418 1 +ATOM C CB . LEU C0 3 12 . 12 LEU C0 CB 0 21.451595 -10.252454 24.221462 1 3419 1 +ATOM C CG . LEU C0 3 12 . 12 LEU C0 CG 0 21.962082 -8.815215 24.289974 1 3420 1 +ATOM C CD1 . LEU C0 3 12 . 12 LEU C0 CD1 0 22.38806 -8.355935 22.902145 1 3421 1 +ATOM C CD2 . LEU C0 3 12 . 12 LEU C0 CD2 0 20.900133 -7.901002 24.869278 1 3422 1 +ATOM N N . PRO C0 3 13 . 13 PRO C0 N 0 19.41252 -12.526297 24.898804 1 3423 1 +ATOM C CA . PRO C0 3 13 . 13 PRO C0 CA 0 18.897995 -13.827884 24.460537 1 3424 1 +ATOM C C . PRO C0 3 13 . 13 PRO C0 C 0 19.668701 -14.293819 23.221935 1 3425 1 +ATOM O O . PRO C0 3 13 . 13 PRO C0 O 0 20.140022 -13.472601 22.42998 1 3426 1 +ATOM C CB . PRO C0 3 13 . 13 PRO C0 CB 0 17.426697 -13.539856 24.128677 1 3427 1 +ATOM C CG . PRO C0 3 13 . 13 PRO C0 CG 0 17.078537 -12.345757 24.97182 1 3428 1 +ATOM C CD . PRO C0 3 13 . 13 PRO C0 CD 0 18.333683 -11.516428 24.989563 1 3429 1 +ATOM N N . GLY C0 3 14 . 14 GLY C0 N 0 19.802206 -15.6106415 23.067917 1 3430 1 +ATOM C CA . GLY C0 3 14 . 14 GLY C0 CA 0 20.529177 -16.136593 21.92575 1 3431 1 +ATOM C C . GLY C0 3 14 . 14 GLY C0 C 0 22.017176 -16.261137 22.172388 1 3432 1 +ATOM O O . GLY C0 3 14 . 14 GLY C0 O 0 22.793186 -16.374882 21.220127 1 3433 1 +ATOM N N . GLU C0 3 15 . 15 GLU C0 N 0 22.404081 -16.251802 23.443674 1 3434 1 +ATOM C CA . GLU C0 3 15 . 15 GLU C0 CA 0 23.803387 -16.35709 23.848577 1 3435 1 +ATOM C C . GLU C0 3 15 . 15 GLU C0 C 0 24.676998 -15.304692 23.159077 1 3436 1 +ATOM O O . GLU C0 3 15 . 15 GLU C0 O 0 25.757164 -15.586319 22.656137 1 3437 1 +ATOM C CB . GLU C0 3 15 . 15 GLU C0 CB 0 24.337284 -17.760044 23.554916 1 3438 1 +ATOM C CG . GLU C0 3 15 . 15 GLU C0 CG 0 23.58724 -18.843475 24.308664 1 3439 1 +ATOM C CD . GLU C0 3 15 . 15 GLU C0 CD 0 24.141552 -20.23576 24.051205 1 3440 1 +ATOM O OE1 . GLU C0 3 15 . 15 GLU C0 OE1 0 23.613714 -21.200308 24.635235 1 3441 1 +ATOM O OE2 . GLU C0 3 15 . 15 GLU C0 OE2 0 25.099926 -20.375889 23.26646 1 3442 1 +ATOM N N . MET C0 3 16 . 16 MET C0 N 0 24.15208 -14.0839 23.122673 1 3443 1 +ATOM C CA . MET C0 3 16 . 16 MET C0 CA 0 24.882118 -12.954184 22.556654 1 3444 1 +ATOM C C . MET C0 3 16 . 16 MET C0 C 0 25.157343 -11.937847 23.652004 1 3445 1 +ATOM O O . MET C0 3 16 . 16 MET C0 O 0 24.572357 -11.986936 24.73631 1 3446 1 +ATOM C CB . MET C0 3 16 . 16 MET C0 CB 0 24.076908 -12.294068 21.429874 1 3447 1 +ATOM C CG . MET C0 3 16 . 16 MET C0 CG 0 23.967464 -13.134651 20.165276 1 3448 1 +ATOM S SD . MET C0 3 16 . 16 MET C0 SD 0 23.170074 -12.241005 18.812222 1 3449 1 +ATOM C CE . MET C0 3 16 . 16 MET C0 CE 0 21.490223 -12.150959 19.4483 1 3450 1 +ATOM N N . LYS C0 3 17 . 17 LYS C0 N 0 26.05946 -11.021749 23.361916 1 3451 1 +ATOM C CA . LYS C0 3 17 . 17 LYS C0 CA 0 26.38588 -9.939437 24.286722 1 3452 1 +ATOM C C . LYS C0 3 17 . 17 LYS C0 C 0 26.462265 -8.639257 23.51067 1 3453 1 +ATOM O O . LYS C0 3 17 . 17 LYS C0 O 0 26.842743 -8.620648 22.334793 1 3454 1 +ATOM C CB . LYS C0 3 17 . 17 LYS C0 CB 0 27.72996 -10.193184 24.989094 1 3455 1 +ATOM C CG . LYS C0 3 17 . 17 LYS C0 CG 0 27.744984 -11.407582 25.898087 1 3456 1 +ATOM C CD . LYS C0 3 17 . 17 LYS C0 CD 0 29.115566 -11.559082 26.559809 1 3457 1 +ATOM C CE . LYS C0 3 17 . 17 LYS C0 CE 0 29.147608 -12.775363 27.471087 1 3458 1 +ATOM N NZ . LYS C0 3 17 . 17 LYS C0 NZ 0 30.47026 -12.933661 28.10802 1 3459 1 +ATOM N N . VAL C0 3 18 . 18 VAL C0 N 0 26.092258 -7.5563745 24.165403 1 3460 1 +ATOM C CA . VAL C0 3 18 . 18 VAL C0 CA 0 26.22812 -6.23653 23.548967 1 3461 1 +ATOM C C . VAL C0 3 18 . 18 VAL C0 C 0 27.075504 -5.3792925 24.485235 1 3462 1 +ATOM O O . VAL C0 3 18 . 18 VAL C0 O 0 26.924694 -5.4343452 25.711628 1 3463 1 +ATOM C CB . VAL C0 3 18 . 18 VAL C0 CB 0 24.845417 -5.5687428 23.287956 1 3464 1 +ATOM C CG1 . VAL C0 3 18 . 18 VAL C0 CG1 0 25.038227 -4.2228527 22.563679 1 3465 1 +ATOM C CG2 . VAL C0 3 18 . 18 VAL C0 CG2 0 24.07774 -5.3647623 24.577843 1 3466 1 +ATOM N N . LEU C0 3 19 . 19 LEU C0 N 0 28.001207 -4.6204123 23.921848 1 3467 1 +ATOM C CA . LEU C0 3 19 . 19 LEU C0 CA 0 28.827185 -3.708348 24.698442 1 3468 1 +ATOM C C . LEU C0 3 19 . 19 LEU C0 C 0 28.202024 -2.3191285 24.608055 1 3469 1 +ATOM O O . LEU C0 3 19 . 19 LEU C0 O 0 27.937412 -1.8232199 23.505087 1 3470 1 +ATOM C CB . LEU C0 3 19 . 19 LEU C0 CB 0 30.259626 -3.679518 24.158379 1 3471 1 +ATOM C CG . LEU C0 3 19 . 19 LEU C0 CG 0 31.005386 -5.0106 24.14463 1 3472 1 +ATOM C CD1 . LEU C0 3 19 . 19 LEU C0 CD1 0 32.403214 -4.815537 23.566034 1 3473 1 +ATOM C CD2 . LEU C0 3 19 . 19 LEU C0 CD2 0 31.078705 -5.6144648 25.538181 1 3474 1 +ATOM N N . VAL C0 3 20 . 20 VAL C0 N 0 27.971104 -1.6980433 25.762268 1 3475 1 +ATOM C CA . VAL C0 3 20 . 20 VAL C0 CA 0 27.370476 -0.36680934 25.826788 1 3476 1 +ATOM C C . VAL C0 3 20 . 20 VAL C0 C 0 28.420597 0.61710596 26.34229 1 3477 1 +ATOM O O . VAL C0 3 20 . 20 VAL C0 O 0 29.064135 0.36517343 27.362728 1 3478 1 +ATOM C CB . VAL C0 3 20 . 20 VAL C0 CB 0 26.136124 -0.35250127 26.759403 1 3479 1 +ATOM C CG1 . VAL C0 3 20 . 20 VAL C0 CG1 0 25.452799 1.0132664 26.71133 1 3480 1 +ATOM C CG2 . VAL C0 3 20 . 20 VAL C0 CG2 0 25.164871 -1.4597201 26.380981 1 3481 1 +ATOM N N . SER C0 3 21 . 21 SER C0 N 0 28.58942 1.7322067 25.635574 1 3482 1 +ATOM C CA . SER C0 3 21 . 21 SER C0 CA 0 29.572512 2.7257519 26.04947 1 3483 1 +ATOM C C . SER C0 3 21 . 21 SER C0 C 0 29.22427 3.268815 27.437395 1 3484 1 +ATOM O O . SER C0 3 21 . 21 SER C0 O 0 28.052088 3.4474063 27.773523 1 3485 1 +ATOM C CB . SER C0 3 21 . 21 SER C0 CB 0 29.643858 3.8771744 25.036179 1 3486 1 +ATOM O OG . SER C0 3 21 . 21 SER C0 OG 0 28.414497 4.581216 24.95942 1 3487 1 +ATOM N N . LYS C0 3 22 . 22 LYS C0 N 0 30.24456 3.5108352 28.241764 1 3488 1 +ATOM C CA . LYS C0 3 22 . 22 LYS C0 CA 0 30.044018 4.012273 29.59673 1 3489 1 +ATOM C C . LYS C0 3 22 . 22 LYS C0 C 0 29.537466 5.4544 29.611568 1 3490 1 +ATOM O O . LYS C0 3 22 . 22 LYS C0 O 0 28.870184 5.872266 30.56403 1 3491 1 +ATOM C CB . LYS C0 3 22 . 22 LYS C0 CB 0 31.350113 3.9024563 30.38944 1 3492 1 +ATOM C CG . LYS C0 3 22 . 22 LYS C0 CG 0 31.774204 2.4578078 30.629799 1 3493 1 +ATOM C CD . LYS C0 3 22 . 22 LYS C0 CD 0 33.09492 2.4037862 31.401165 1 3494 1 +ATOM C CE . LYS C0 3 22 . 22 LYS C0 CE 0 33.518154 0.95791423 31.633995 1 3495 1 +ATOM N NZ . LYS C0 3 22 . 22 LYS C0 NZ 0 34.810783 0.8704535 32.346813 1 3496 1 +ATOM N N . GLU C0 3 23 . 23 GLU C0 N 0 29.857664 6.2284107 28.554203 1 3497 1 +ATOM C CA . GLU C0 3 23 . 23 GLU C0 CA 0 29.425962 7.617612 28.457787 1 3498 1 +ATOM C C . GLU C0 3 23 . 23 GLU C0 C 0 28.729372 7.8681684 27.12643 1 3499 1 +ATOM O O . GLU C0 3 23 . 23 GLU C0 O 0 28.974789 7.168412 26.14297 1 3500 1 +ATOM C CB . GLU C0 3 23 . 23 GLU C0 CB 0 30.614952 8.576038 28.599218 1 3501 1 +ATOM C CG . GLU C0 3 23 . 23 GLU C0 CG 0 31.323463 8.47394 29.94339 1 3502 1 +ATOM C CD . GLU C0 3 23 . 23 GLU C0 CD 0 32.4703 9.451702 30.055506 1 3503 1 +ATOM O OE1 . GLU C0 3 23 . 23 GLU C0 OE1 0 32.987522 9.643587 31.174015 1 3504 1 +ATOM O OE2 . GLU C0 3 23 . 23 GLU C0 OE2 0 32.863556 10.056732 29.033623 1 3505 1 +ATOM N N . LYS C0 3 24 . 24 LYS C0 N 0 27.861942 8.885805 27.09215 1 3506 1 +ATOM C CA . LYS C0 3 24 . 24 LYS C0 CA 0 27.186287 9.271134 25.856445 1 3507 1 +ATOM C C . LYS C0 3 24 . 24 LYS C0 C 0 28.191343 9.901102 24.894876 1 3508 1 +ATOM O O . LYS C0 3 24 . 24 LYS C0 O 0 29.16946 10.531407 25.323692 1 3509 1 +ATOM C CB . LYS C0 3 24 . 24 LYS C0 CB 0 26.051277 10.270227 26.140833 1 3510 1 +ATOM C CG . LYS C0 3 24 . 24 LYS C0 CG 0 24.850122 9.660141 26.848778 1 3511 1 +ATOM C CD . LYS C0 3 24 . 24 LYS C0 CD 0 23.76281 10.715351 27.036848 1 3512 1 +ATOM C CE . LYS C0 3 24 . 24 LYS C0 CE 0 22.527609 10.108849 27.689438 1 3513 1 +ATOM N NZ . LYS C0 3 24 . 24 LYS C0 NZ 0 21.47044 11.118814 27.89867 1 3514 1 +ATOM N N . ASN C0 3 25 . 25 ASN C0 N 0 27.927864 9.732229 23.580694 1 3515 1 +ATOM C CA . ASN C0 3 25 . 25 ASN C0 CA 0 28.79758 10.352436 22.587402 1 3516 1 +ATOM C C . ASN C0 3 25 . 25 ASN C0 C 0 28.38832 11.812462 22.391878 1 3517 1 +ATOM O O . ASN C0 3 25 . 25 ASN C0 O 0 27.508322 12.3177395 23.102295 1 3518 1 +ATOM C CB . ASN C0 3 25 . 25 ASN C0 CB 0 28.759323 9.581554 21.262703 1 3519 1 +ATOM C CG . ASN C0 3 25 . 25 ASN C0 CG 0 27.37257 9.493702 20.655869 1 3520 1 +ATOM O OD1 . ASN C0 3 25 . 25 ASN C0 OD1 0 26.53352 10.380306 20.839157 1 3521 1 +ATOM N ND2 . ASN C0 3 25 . 25 ASN C0 ND2 0 27.12028 8.421556 19.911444 1 3522 1 +ATOM N N . LYS C0 3 26 . 26 LYS C0 N 0 29.031685 12.510885 21.461842 1 3523 1 +ATOM C CA . LYS C0 3 26 . 26 LYS C0 CA 0 28.746452 13.926084 21.249817 1 3524 1 +ATOM C C . LYS C0 3 26 . 26 LYS C0 C 0 27.321114 14.189116 20.774769 1 3525 1 +ATOM O O . LYS C0 3 26 . 26 LYS C0 O 0 26.854588 15.334112 20.833054 1 3526 1 +ATOM C CB . LYS C0 3 26 . 26 LYS C0 CB 0 29.742123 14.518726 20.245787 1 3527 1 +ATOM C CG . LYS C0 3 26 . 26 LYS C0 CG 0 29.637098 13.924623 18.851974 1 3528 1 +ATOM C CD . LYS C0 3 26 . 26 LYS C0 CD 0 30.646564 14.586626 17.914373 1 3529 1 +ATOM C CE . LYS C0 3 26 . 26 LYS C0 CE 0 30.553223 14.013998 16.515337 1 3530 1 +ATOM N NZ . LYS C0 3 26 . 26 LYS C0 NZ 0 31.517563 14.673644 15.613616 1 3531 1 +ATOM N N . ASP C0 3 27 . 27 ASP C0 N 0 26.622171 13.142243 20.294987 1 3532 1 +ATOM C CA . ASP C0 3 27 . 27 ASP C0 CA 0 25.233791 13.277151 19.860485 1 3533 1 +ATOM C C . ASP C0 3 27 . 27 ASP C0 C 0 24.242636 12.954998 20.982805 1 3534 1 +ATOM O O . ASP C0 3 27 . 27 ASP C0 O 0 23.03471 12.904105 20.746315 1 3535 1 +ATOM C CB . ASP C0 3 27 . 27 ASP C0 CB 0 24.960716 12.370533 18.65798 1 3536 1 +ATOM C CG . ASP C0 3 27 . 27 ASP C0 CG 0 25.792278 12.746176 17.445665 1 3537 1 +ATOM O OD1 . ASP C0 3 27 . 27 ASP C0 OD1 0 25.921661 13.963739 17.17438 1 3538 1 +ATOM O OD2 . ASP C0 3 27 . 27 ASP C0 OD2 0 26.316875 11.834918 16.775131 1 3539 1 +ATOM N N . GLY C0 3 28 . 28 GLY C0 N 0 24.749857 12.734497 22.189114 1 3540 1 +ATOM C CA . GLY C0 3 28 . 28 GLY C0 CA 0 23.90072 12.452676 23.33078 1 3541 1 +ATOM C C . GLY C0 3 28 . 28 GLY C0 C 0 23.325386 11.04743 23.353409 1 3542 1 +ATOM O O . GLY C0 3 28 . 28 GLY C0 O 0 22.2764 10.817806 23.962751 1 3543 1 +ATOM N N . LYS C0 3 29 . 29 LYS C0 N 0 23.998188 10.092569 22.705471 1 3544 1 +ATOM C CA . LYS C0 3 29 . 29 LYS C0 CA 0 23.531399 8.707643 22.66943 1 3545 1 +ATOM C C . LYS C0 3 29 . 29 LYS C0 C 0 24.634026 7.755887 23.120699 1 3546 1 +ATOM O O . LYS C0 3 29 . 29 LYS C0 O 0 25.815914 8.095172 23.0806 1 3547 1 +ATOM C CB . LYS C0 3 29 . 29 LYS C0 CB 0 23.067225 8.336205 21.254902 1 3548 1 +ATOM C CG . LYS C0 3 29 . 29 LYS C0 CG 0 21.849026 9.119226 20.787308 1 3549 1 +ATOM C CD . LYS C0 3 29 . 29 LYS C0 CD 0 21.369686 8.621246 19.431602 1 3550 1 +ATOM C CE . LYS C0 3 29 . 29 LYS C0 CE 0 20.103098 9.349423 18.999287 1 3551 1 +ATOM N NZ . LYS C0 3 29 . 29 LYS C0 NZ 0 19.5969 8.829536 17.717934 1 3552 1 +ATOM N N . TYR C0 3 30 . 30 TYR C0 N 0 24.21092 6.5572305 23.536785 1 3553 1 +ATOM C CA . TYR C0 3 30 . 30 TYR C0 CA 0 25.160135 5.5303965 23.939507 1 3554 1 +ATOM C C . TYR C0 3 30 . 30 TYR C0 C 0 25.537872 4.6909647 22.723293 1 3555 1 +ATOM O O . TYR C0 3 30 . 30 TYR C0 O 0 24.682972 4.363406 21.89822 1 3556 1 +ATOM C CB . TYR C0 3 30 . 30 TYR C0 CB 0 24.559952 4.630505 25.022833 1 3557 1 +ATOM C CG . TYR C0 3 30 . 30 TYR C0 CG 0 24.278084 5.358156 26.32439 1 3558 1 +ATOM C CD1 . TYR C0 3 30 . 30 TYR C0 CD1 0 23.032787 5.9184923 26.5724 1 3559 1 +ATOM C CD2 . TYR C0 3 30 . 30 TYR C0 CD2 0 25.263103 5.481642 27.296227 1 3560 1 +ATOM C CE1 . TYR C0 3 30 . 30 TYR C0 CE1 0 22.772415 6.5946484 27.755308 1 3561 1 +ATOM C CE2 . TYR C0 3 30 . 30 TYR C0 CE2 0 25.007961 6.1579876 28.483776 1 3562 1 +ATOM C CZ . TYR C0 3 30 . 30 TYR C0 CZ 0 23.762081 6.7072697 28.702118 1 3563 1 +ATOM O OH . TYR C0 3 30 . 30 TYR C0 OH 0 23.514704 7.3799906 29.875824 1 3564 1 +ATOM N N . ASP C0 3 31 . 31 ASP C0 N 0 26.807613 4.3494787 22.622366 1 3565 1 +ATOM C CA . ASP C0 3 31 . 31 ASP C0 CA 0 27.28024 3.504831 21.522665 1 3566 1 +ATOM C C . ASP C0 3 31 . 31 ASP C0 C 0 27.062763 2.0378528 21.872929 1 3567 1 +ATOM O O . ASP C0 3 31 . 31 ASP C0 O 0 27.30125 1.623635 23.008827 1 3568 1 +ATOM C CB . ASP C0 3 31 . 31 ASP C0 CB 0 28.76634 3.7600849 21.258581 1 3569 1 +ATOM C CG . ASP C0 3 31 . 31 ASP C0 CG 0 29.031464 5.159496 20.738113 1 3570 1 +ATOM O OD1 . ASP C0 3 31 . 31 ASP C0 OD1 0 28.282791 5.61502 19.850906 1 3571 1 +ATOM O OD2 . ASP C0 3 31 . 31 ASP C0 OD2 0 29.987736 5.7984366 21.219536 1 3572 1 +ATOM N N . LEU C0 3 32 . 32 LEU C0 N 0 26.591724 1.2555022 20.901886 1 3573 1 +ATOM C CA . LEU C0 3 32 . 32 LEU C0 CA 0 26.354227 -0.17317344 21.073986 1 3574 1 +ATOM C C . LEU C0 3 32 . 32 LEU C0 C 0 27.252901 -0.9435647 20.108278 1 3575 1 +ATOM O O . LEU C0 3 32 . 32 LEU C0 O 0 27.363987 -0.57936394 18.937386 1 3576 1 +ATOM C CB . LEU C0 3 32 . 32 LEU C0 CB 0 24.890167 -0.52574694 20.792229 1 3577 1 +ATOM C CG . LEU C0 3 32 . 32 LEU C0 CG 0 23.809063 0.23558176 21.56862 1 3578 1 +ATOM C CD1 . LEU C0 3 32 . 32 LEU C0 CD1 0 22.434183 -0.19797857 21.07637 1 3579 1 +ATOM C CD2 . LEU C0 3 32 . 32 LEU C0 CD2 0 23.950605 0.016109074 23.06295 1 3580 1 +ATOM N N . ILE C0 3 33 . 33 ILE C0 N 0 27.876545 -2.0094652 20.602406 1 3581 1 +ATOM C CA . ILE C0 3 33 . 33 ILE C0 CA 0 28.731562 -2.8544571 19.76837 1 3582 1 +ATOM C C . ILE C0 3 33 . 33 ILE C0 C 0 28.4454 -4.3147993 20.105358 1 3583 1 +ATOM O O . ILE C0 3 33 . 33 ILE C0 O 0 28.383596 -4.6901426 21.269335 1 3584 1 +ATOM C CB . ILE C0 3 33 . 33 ILE C0 CB 0 30.225866 -2.5545218 19.999477 1 3585 1 +ATOM C CG1 . ILE C0 3 33 . 33 ILE C0 CG1 0 30.52914 -1.0788271 19.730015 1 3586 1 +ATOM C CG2 . ILE C0 3 33 . 33 ILE C0 CG2 0 31.088245 -3.4510696 19.099615 1 3587 1 +ATOM C CD1 . ILE C0 3 33 . 33 ILE C0 CD1 0 31.950928 -0.6674187 20.10941 1 3588 1 +ATOM N N . ALA C0 3 34 . 34 ALA C0 N 0 28.24213 -5.1259375 19.069313 1 3589 1 +ATOM C CA . ALA C0 3 34 . 34 ALA C0 CA 0 28.014027 -6.5559998 19.253807 1 3590 1 +ATOM C C . ALA C0 3 34 . 34 ALA C0 C 0 28.716385 -7.3098054 18.12796 1 3591 1 +ATOM O O . ALA C0 3 34 . 34 ALA C0 O 0 28.89635 -6.774043 17.03202 1 3592 1 +ATOM C CB . ALA C0 3 34 . 34 ALA C0 CB 0 26.528381 -6.881415 19.266335 1 3593 1 +ATOM N N . THR C0 3 35 . 35 THR C0 N 0 29.124966 -8.544183 18.407387 1 3594 1 +ATOM C CA . THR C0 3 35 . 35 THR C0 CA 0 29.76403 -9.381069 17.398487 1 3595 1 +ATOM C C . THR C0 3 35 . 35 THR C0 C 0 28.888834 -10.60568 17.151134 1 3596 1 +ATOM O O . THR C0 3 35 . 35 THR C0 O 0 28.577232 -11.349913 18.072544 1 3597 1 +ATOM C CB . THR C0 3 35 . 35 THR C0 CB 0 31.167206 -9.8120365 17.845654 1 3598 1 +ATOM O OG1 . THR C0 3 35 . 35 THR C0 OG1 0 31.974297 -8.657986 18.07645 1 3599 1 +ATOM C CG2 . THR C0 3 35 . 35 THR C0 CG2 0 31.827425 -10.690851 16.79091 1 3600 1 +ATOM N N . VAL C0 3 36 . 36 VAL C0 N 0 28.479944 -10.790864 15.898174 1 3601 1 +ATOM C CA . VAL C0 3 36 . 36 VAL C0 CA 0 27.650692 -11.924292 15.503937 1 3602 1 +ATOM C C . VAL C0 3 36 . 36 VAL C0 C 0 28.354012 -12.619611 14.342606 1 3603 1 +ATOM O O . VAL C0 3 36 . 36 VAL C0 O 0 28.563635 -12.016987 13.287271 1 3604 1 +ATOM C CB . VAL C0 3 36 . 36 VAL C0 CB 0 26.237034 -11.471916 15.082078 1 3605 1 +ATOM C CG1 . VAL C0 3 36 . 36 VAL C0 CG1 0 25.415478 -12.665892 14.627415 1 3606 1 +ATOM C CG2 . VAL C0 3 36 . 36 VAL C0 CG2 0 25.534386 -10.75305 16.23537 1 3607 1 +ATOM N N . ASP C0 3 37 . 37 ASP C0 N 0 28.725382 -13.884691 14.545551 1 3608 1 +ATOM C CA . ASP C0 3 37 . 37 ASP C0 CA 0 29.415136 -14.681875 13.533538 1 3609 1 +ATOM C C . ASP C0 3 37 . 37 ASP C0 C 0 30.63637 -13.925859 12.989922 1 3610 1 +ATOM O O . ASP C0 3 37 . 37 ASP C0 O 0 30.822754 -13.788803 11.7762575 1 3611 1 +ATOM C CB . ASP C0 3 37 . 37 ASP C0 CB 0 28.455193 -15.04381 12.392292 1 3612 1 +ATOM C CG . ASP C0 3 37 . 37 ASP C0 CG 0 29.006731 -16.127415 11.492695 1 3613 1 +ATOM O OD1 . ASP C0 3 37 . 37 ASP C0 OD1 0 29.895624 -16.881187 11.938889 1 3614 1 +ATOM O OD2 . ASP C0 3 37 . 37 ASP C0 OD2 0 28.54728 -16.224926 10.331412 1 3615 1 +ATOM N N . LYS C0 3 38 . 38 LYS C0 N 0 31.448587 -13.419161 13.889101 1 3616 1 +ATOM C CA . LYS C0 3 38 . 38 LYS C0 CA 0 32.68473 -12.697119 13.6034155 1 3617 1 +ATOM C C . LYS C0 3 38 . 38 LYS C0 C 0 32.47811 -11.329121 12.962547 1 3618 1 +ATOM O O . LYS C0 3 38 . 38 LYS C0 O 0 33.45124 -10.669127 12.598787 1 3619 1 +ATOM C CB . LYS C0 3 38 . 38 LYS C0 CB 0 33.63104 -13.5361805 12.727328 1 3620 1 +ATOM C CG . LYS C0 3 38 . 38 LYS C0 CG 0 34.08938 -14.831612 13.384271 1 3621 1 +ATOM C CD . LYS C0 3 38 . 38 LYS C0 CD 0 35.088654 -15.558828 12.487396 1 3622 1 +ATOM C CE . LYS C0 3 38 . 38 LYS C0 CE 0 35.566216 -16.839926 13.157801 1 3623 1 +ATOM N NZ . LYS C0 3 38 . 38 LYS C0 NZ 0 36.541336 -17.553307 12.30516 1 3624 1 +ATOM N N . LEU C0 3 39 . 39 LEU C0 N 0 31.235151 -10.903127 12.80203 1 3625 1 +ATOM C CA . LEU C0 3 39 . 39 LEU C0 CA 0 30.94601 -9.599175 12.228909 1 3626 1 +ATOM C C . LEU C0 3 39 . 39 LEU C0 C 0 30.614122 -8.61237 13.34729 1 3627 1 +ATOM O O . LEU C0 3 39 . 39 LEU C0 O 0 29.740665 -8.879743 14.177898 1 3628 1 +ATOM C CB . LEU C0 3 39 . 39 LEU C0 CB 0 29.771896 -9.681612 11.24859 1 3629 1 +ATOM C CG . LEU C0 3 39 . 39 LEU C0 CG 0 29.339336 -8.354927 10.613555 1 3630 1 +ATOM C CD1 . LEU C0 3 39 . 39 LEU C0 CD1 0 28.026306 -8.518897 9.869772 1 3631 1 +ATOM C CD2 . LEU C0 3 39 . 39 LEU C0 CD2 0 30.425001 -7.841639 9.675269 1 3632 1 +ATOM N N . GLU C0 3 40 . 40 GLU C0 N 0 31.314175 -7.4827795 13.360292 1 3633 1 +ATOM C CA . GLU C0 3 40 . 40 GLU C0 CA 0 31.041584 -6.4622107 14.360681 1 3634 1 +ATOM C C . GLU C0 3 40 . 40 GLU C0 C 0 29.887167 -5.5772505 13.907879 1 3635 1 +ATOM O O . GLU C0 3 40 . 40 GLU C0 O 0 29.921494 -5.0021467 12.818901 1 3636 1 +ATOM C CB . GLU C0 3 40 . 40 GLU C0 CB 0 32.28718 -5.6052303 14.615825 1 3637 1 +ATOM C CG . GLU C0 3 40 . 40 GLU C0 CG 0 32.089058 -4.5759983 15.721592 1 3638 1 +ATOM C CD . GLU C0 3 40 . 40 GLU C0 CD 0 33.345196 -3.7671585 15.993197 1 3639 1 +ATOM O OE1 . GLU C0 3 40 . 40 GLU C0 OE1 0 34.105637 -4.1261396 16.913445 1 3640 1 +ATOM O OE2 . GLU C0 3 40 . 40 GLU C0 OE2 0 33.57376 -2.7755847 15.274059 1 3641 1 +ATOM N N . LEU C0 3 41 . 41 LEU C0 N 0 28.860954 -5.486423 14.736339 1 3642 1 +ATOM C CA . LEU C0 3 41 . 41 LEU C0 CA 0 27.706573 -4.6437817 14.470804 1 3643 1 +ATOM C C . LEU C0 3 41 . 41 LEU C0 C 0 27.78445 -3.4148679 15.36145 1 3644 1 +ATOM O O . LEU C0 3 41 . 41 LEU C0 O 0 28.197994 -3.5055344 16.51791 1 3645 1 +ATOM C CB . LEU C0 3 41 . 41 LEU C0 CB 0 26.404175 -5.4004607 14.748748 1 3646 1 +ATOM C CG . LEU C0 3 41 . 41 LEU C0 CG 0 26.245205 -6.771286 14.079778 1 3647 1 +ATOM C CD1 . LEU C0 3 41 . 41 LEU C0 CD1 0 24.914186 -7.394618 14.480759 1 3648 1 +ATOM C CD2 . LEU C0 3 41 . 41 LEU C0 CD2 0 26.352835 -6.6595035 12.571165 1 3649 1 +ATOM N N . LYS C0 3 42 . 42 LYS C0 N 0 27.397602 -2.2706227 14.822415 1 3650 1 +ATOM C CA . LYS C0 3 42 . 42 LYS C0 CA 0 27.457355 -1.0189593 15.565113 1 3651 1 +ATOM C C . LYS C0 3 42 . 42 LYS C0 C 0 26.12968 -0.27681503 15.515696 1 3652 1 +ATOM O O . LYS C0 3 42 . 42 LYS C0 O 0 25.408163 -0.35210282 14.51879 1 3653 1 +ATOM C CB . LYS C0 3 42 . 42 LYS C0 CB 0 28.575588 -0.11791199 15.019693 1 3654 1 +ATOM C CG . LYS C0 3 42 . 42 LYS C0 CG 0 29.961514 -0.7241844 15.130254 1 3655 1 +ATOM C CD . LYS C0 3 42 . 42 LYS C0 CD 0 31.009136 0.22139484 14.561159 1 3656 1 +ATOM C CE . LYS C0 3 42 . 42 LYS C0 CE 0 32.398663 -0.38349107 14.681423 1 3657 1 +ATOM N NZ . LYS C0 3 42 . 42 LYS C0 NZ 0 33.424965 0.5079391 14.113654 1 3658 1 +ATOM N N . GLY C0 3 43 . 43 GLY C0 N 0 25.832623 0.43802717 16.572395 1 3659 1 +ATOM C CA . GLY C0 3 43 . 43 GLY C0 CA 0 24.620079 1.2391376 16.632763 1 3660 1 +ATOM C C . GLY C0 3 43 . 43 GLY C0 C 0 24.673782 2.2008069 17.801311 1 3661 1 +ATOM O O . GLY C0 3 43 . 43 GLY C0 O 0 25.663101 2.2627707 18.528967 1 3662 1 +ATOM N N . THR C0 3 44 . 44 THR C0 N 0 23.59299 2.9927971 17.963245 1 3663 1 +ATOM C CA . THR C0 3 44 . 44 THR C0 CA 0 23.487038 3.918045 19.083641 1 3664 1 +ATOM C C . THR C0 3 44 . 44 THR C0 C 0 22.09802 3.8109818 19.700687 1 3665 1 +ATOM O O . THR C0 3 44 . 44 THR C0 O 0 21.162306 3.3080642 19.071274 1 3666 1 +ATOM C CB . THR C0 3 44 . 44 THR C0 CB 0 23.736275 5.382 18.65553 1 3667 1 +ATOM O OG1 . THR C0 3 44 . 44 THR C0 OG1 0 22.78535 5.7462525 17.64546 1 3668 1 +ATOM C CG2 . THR C0 3 44 . 44 THR C0 CG2 0 25.145853 5.5666685 18.120663 1 3669 1 +ATOM N N . SER C0 3 45 . 45 SER C0 N 0 21.979122 4.27111 20.931225 1 3670 1 +ATOM C CA . SER C0 3 45 . 45 SER C0 CA 0 20.705261 4.1943684 21.634792 1 3671 1 +ATOM C C . SER C0 3 45 . 45 SER C0 C 0 20.5969 5.3137655 22.663132 1 3672 1 +ATOM O O . SER C0 3 45 . 45 SER C0 O 0 21.610409 5.769456 23.20592 1 3673 1 +ATOM C CB . SER C0 3 45 . 45 SER C0 CB 0 20.559683 2.8403876 22.3283 1 3674 1 +ATOM O OG . SER C0 3 45 . 45 SER C0 OG 0 19.38415 2.7805219 23.109154 1 3675 1 +ATOM N N . ASP C0 3 46 . 46 ASP C0 N 0 19.355232 5.741386 22.932434 1 3676 1 +ATOM C CA . ASP C0 3 46 . 46 ASP C0 CA 0 19.119019 6.729087 23.984468 1 3677 1 +ATOM C C . ASP C0 3 46 . 46 ASP C0 C 0 19.16756 6.072291 25.359337 1 3678 1 +ATOM O O . ASP C0 3 46 . 46 ASP C0 O 0 19.253424 6.7677426 26.37259 1 3679 1 +ATOM C CB . ASP C0 3 46 . 46 ASP C0 CB 0 17.749214 7.404936 23.800323 1 3680 1 +ATOM C CG . ASP C0 3 46 . 46 ASP C0 CG 0 17.693344 8.298081 22.576931 1 3681 1 +ATOM O OD1 . ASP C0 3 46 . 46 ASP C0 OD1 0 18.68261 9.022501 22.321165 1 3682 1 +ATOM O OD2 . ASP C0 3 46 . 46 ASP C0 OD2 0 16.657562 8.288942 21.883543 1 3683 1 +ATOM N N . LYS C0 3 47 . 47 LYS C0 N 0 19.109154 4.751955 25.378958 1 3684 1 +ATOM C CA . LYS C0 3 47 . 47 LYS C0 CA 0 19.125067 3.991558 26.62939 1 3685 1 +ATOM C C . LYS C0 3 47 . 47 LYS C0 C 0 20.498798 3.3873415 26.859024 1 3686 1 +ATOM O O . LYS C0 3 47 . 47 LYS C0 O 0 21.22313 3.0829072 25.910252 1 3687 1 +ATOM C CB . LYS C0 3 47 . 47 LYS C0 CB 0 18.067142 2.8862495 26.593925 1 3688 1 +ATOM C CG . LYS C0 3 47 . 47 LYS C0 CG 0 16.649813 3.3922753 26.394938 1 3689 1 +ATOM C CD . LYS C0 3 47 . 47 LYS C0 CD 0 15.658419 2.2451692 26.368313 1 3690 1 +ATOM C CE . LYS C0 3 47 . 47 LYS C0 CE 0 14.2265625 2.7257206 26.224316 1 3691 1 +ATOM N NZ . LYS C0 3 47 . 47 LYS C0 NZ 0 13.989195 3.3965974 24.927649 1 3692 1 +ATOM N N . ASN C0 3 48 . 48 ASN C0 N 0 20.8517 3.204204 28.137608 1 3693 1 +ATOM C CA . ASN C0 3 48 . 48 ASN C0 CA 0 22.15194 2.6390114 28.471771 1 3694 1 +ATOM C C . ASN C0 3 48 . 48 ASN C0 C 0 22.057323 1.1909931 28.961666 1 3695 1 +ATOM O O . ASN C0 3 48 . 48 ASN C0 O 0 22.997326 0.6723937 29.54721 1 3696 1 +ATOM C CB . ASN C0 3 48 . 48 ASN C0 CB 0 22.856256 3.4995508 29.532288 1 3697 1 +ATOM C CG . ASN C0 3 48 . 48 ASN C0 CG 0 22.140835 3.4958122 30.88443 1 3698 1 +ATOM O OD1 . ASN C0 3 48 . 48 ASN C0 OD1 0 21.048523 2.951365 31.03579 1 3699 1 +ATOM N ND2 . ASN C0 3 48 . 48 ASN C0 ND2 0 22.763357 4.1197124 31.874779 1 3700 1 +ATOM N N . ASN C0 3 49 . 49 ASN C0 N 0 20.903212 0.5361049 28.688555 1 3701 1 +ATOM C CA . ASN C0 3 49 . 49 ASN C0 CA 0 20.699593 -0.83356607 29.157173 1 3702 1 +ATOM C C . ASN C0 3 49 . 49 ASN C0 C 0 21.049477 -1.8915242 28.108307 1 3703 1 +ATOM O O . ASN C0 3 49 . 49 ASN C0 O 0 20.92404 -3.081616 28.370705 1 3704 1 +ATOM C CB . ASN C0 3 49 . 49 ASN C0 CB 0 19.258976 -1.0201939 29.63491 1 3705 1 +ATOM C CG . ASN C0 3 49 . 49 ASN C0 CG 0 18.24757 -0.93222785 28.512077 1 3706 1 +ATOM O OD1 . ASN C0 3 49 . 49 ASN C0 OD1 0 18.560282 -0.51790327 27.396133 1 3707 1 +ATOM N ND2 . ASN C0 3 49 . 49 ASN C0 ND2 0 17.01313 -1.316818 28.793629 1 3708 1 +ATOM N N . GLY C0 3 50 . 50 GLY C0 N 0 21.475742 -1.4956262 26.93341 1 3709 1 +ATOM C CA . GLY C0 3 50 . 50 GLY C0 CA 0 21.826138 -2.430379 25.874115 1 3710 1 +ATOM C C . GLY C0 3 50 . 50 GLY C0 C 0 20.78262 -2.575511 24.784313 1 3711 1 +ATOM O O . GLY C0 3 50 . 50 GLY C0 O 0 21.02835 -3.2564645 23.784588 1 3712 1 +ATOM N N . SER C0 3 51 . 51 SER C0 N 0 19.607155 -1.9645305 24.936636 1 3713 1 +ATOM C CA . SER C0 3 51 . 51 SER C0 CA 0 18.565716 -2.053316 23.928219 1 3714 1 +ATOM C C . SER C0 3 51 . 51 SER C0 C 0 18.887665 -1.1129096 22.763634 1 3715 1 +ATOM O O . SER C0 3 51 . 51 SER C0 O 0 19.547895 -0.08836958 22.940987 1 3716 1 +ATOM C CB . SER C0 3 51 . 51 SER C0 CB 0 17.198074 -1.7062461 24.526608 1 3717 1 +ATOM O OG . SER C0 3 51 . 51 SER C0 OG 0 17.15302 -0.36198068 24.95459 1 3718 1 +ATOM N N . GLY C0 3 52 . 52 GLY C0 N 0 18.416874 -1.4873941 21.565771 1 3719 1 +ATOM C CA . GLY C0 3 52 . 52 GLY C0 CA 0 18.660955 -0.65566957 20.402914 1 3720 1 +ATOM C C . GLY C0 3 52 . 52 GLY C0 C 0 18.832718 -1.4745145 19.141287 1 3721 1 +ATOM O O . GLY C0 3 52 . 52 GLY C0 O 0 18.499134 -2.6582596 19.092234 1 3722 1 +ATOM N N . VAL C0 3 53 . 53 VAL C0 N 0 19.332235 -0.8202228 18.101276 1 3723 1 +ATOM C CA . VAL C0 3 53 . 53 VAL C0 CA 0 19.532143 -1.4616922 16.809256 1 3724 1 +ATOM C C . VAL C0 3 53 . 53 VAL C0 C 0 21.000248 -1.3467642 16.406399 1 3725 1 +ATOM O O . VAL C0 3 53 . 53 VAL C0 O 0 21.596256 -0.27005306 16.523685 1 3726 1 +ATOM C CB . VAL C0 3 53 . 53 VAL C0 CB 0 18.63913 -0.8102303 15.723825 1 3727 1 +ATOM C CG1 . VAL C0 3 53 . 53 VAL C0 CG1 0 18.895008 -1.4534429 14.370636 1 3728 1 +ATOM C CG2 . VAL C0 3 53 . 53 VAL C0 CG2 0 17.171932 -0.9355179 16.101265 1 3729 1 +ATOM N N . LEU C0 3 54 . 54 LEU C0 N 0 21.583595 -2.457559 15.9574375 1 3730 1 +ATOM C CA . LEU C0 3 54 . 54 LEU C0 CA 0 22.964842 -2.4900563 15.505853 1 3731 1 +ATOM C C . LEU C0 3 54 . 54 LEU C0 C 0 23.011005 -3.0313911 14.084906 1 3732 1 +ATOM O O . LEU C0 3 54 . 54 LEU C0 O 0 22.239319 -3.9273207 13.735645 1 3733 1 +ATOM C CB . LEU C0 3 54 . 54 LEU C0 CB 0 23.826221 -3.3699129 16.413853 1 3734 1 +ATOM C CG . LEU C0 3 54 . 54 LEU C0 CG 0 23.930225 -2.9826198 17.893528 1 3735 1 +ATOM C CD1 . LEU C0 3 54 . 54 LEU C0 CD1 0 25.23713 -3.4948542 18.482967 1 3736 1 +ATOM C CD2 . LEU C0 3 54 . 54 LEU C0 CD2 0 22.737324 -3.5376654 18.666542 1 3737 1 +ATOM N N . GLU C0 3 55 . 55 GLU C0 N 0 23.903378 -2.496758 13.269418 1 3738 1 +ATOM C CA . GLU C0 3 55 . 55 GLU C0 CA 0 24.004906 -2.9197056 11.884753 1 3739 1 +ATOM C C . GLU C0 3 55 . 55 GLU C0 C 0 25.453453 -3.1539493 11.460714 1 3740 1 +ATOM O O . GLU C0 3 55 . 55 GLU C0 O 0 26.372488 -2.565055 12.028437 1 3741 1 +ATOM C CB . GLU C0 3 55 . 55 GLU C0 CB 0 23.368488 -1.8776033 10.953133 1 3742 1 +ATOM C CG . GLU C0 3 55 . 55 GLU C0 CG 0 21.877241 -1.6886107 11.174547 1 3743 1 +ATOM C CD . GLU C0 3 55 . 55 GLU C0 CD 0 21.26039 -0.70334285 10.20367 1 3744 1 +ATOM O OE1 . GLU C0 3 55 . 55 GLU C0 OE1 0 20.02385 -0.7215956 10.0309305 1 3745 1 +ATOM O OE2 . GLU C0 3 55 . 55 GLU C0 OE2 0 22.007494 0.09289709 9.602852 1 3746 1 +ATOM N N . GLY C0 3 56 . 56 GLY C0 N 0 25.6231 -4.001089 10.448069 1 3747 1 +ATOM C CA . GLY C0 3 56 . 56 GLY C0 CA 0 26.941158 -4.2822647 9.898965 1 3748 1 +ATOM C C . GLY C0 3 56 . 56 GLY C0 C 0 26.81517 -4.7989235 8.478582 1 3749 1 +ATOM O O . GLY C0 3 56 . 56 GLY C0 O 0 25.721235 -5.136489 8.02639 1 3750 1 +ATOM N N . VAL C0 3 57 . 57 VAL C0 N 0 27.940289 -4.863355 7.7585444 1 3751 1 +ATOM C CA . VAL C0 3 57 . 57 VAL C0 CA 0 27.959465 -5.317886 6.371951 1 3752 1 +ATOM C C . VAL C0 3 57 . 57 VAL C0 C 0 28.987741 -6.4372244 6.2147503 1 3753 1 +ATOM O O . VAL C0 3 57 . 57 VAL C0 O 0 30.138615 -6.2927923 6.6370773 1 3754 1 +ATOM C CB . VAL C0 3 57 . 57 VAL C0 CB 0 28.295294 -4.161898 5.40244 1 3755 1 +ATOM C CG1 . VAL C0 3 57 . 57 VAL C0 CG1 0 28.276957 -4.6533012 3.9580278 1 3756 1 +ATOM C CG2 . VAL C0 3 57 . 57 VAL C0 CG2 0 27.317627 -3.0092452 5.5886526 1 3757 1 +ATOM N N . LYS C0 3 58 . 58 LYS C0 N 0 28.55848 -7.5548363 5.60052 1 3758 1 +ATOM C CA . LYS C0 3 58 . 58 LYS C0 CA 0 29.4589 -8.675645 5.358424 1 3759 1 +ATOM C C . LYS C0 3 58 . 58 LYS C0 C 0 30.319674 -8.425125 4.1148567 1 3760 1 +ATOM O O . LYS C0 3 58 . 58 LYS C0 O 0 30.077503 -7.488825 3.3469124 1 3761 1 +ATOM C CB . LYS C0 3 58 . 58 LYS C0 CB 0 28.663708 -9.967833 5.179696 1 3762 1 +ATOM C CG . LYS C0 3 58 . 58 LYS C0 CG 0 27.936466 -10.424641 6.4286575 1 3763 1 +ATOM C CD . LYS C0 3 58 . 58 LYS C0 CD 0 27.256971 -11.771189 6.175318 1 3764 1 +ATOM C CE . LYS C0 3 58 . 58 LYS C0 CE 0 26.590055 -12.288934 7.433759 1 3765 1 +ATOM N NZ . LYS C0 3 58 . 58 LYS C0 NZ 0 25.964981 -13.612919 7.2027626 1 3766 1 +ATOM N N . ALA C0 3 59 . 59 ALA C0 N 0 31.323954 -9.2800045 3.9085264 1 3767 1 +ATOM C CA . ALA C0 3 59 . 59 ALA C0 CA 0 32.224525 -9.144662 2.7618198 1 3768 1 +ATOM C C . ALA C0 3 59 . 59 ALA C0 C 0 31.480885 -9.252624 1.432278 1 3769 1 +ATOM O O . ALA C0 3 59 . 59 ALA C0 O 0 31.859894 -8.609423 0.44926506 1 3770 1 +ATOM C CB . ALA C0 3 59 . 59 ALA C0 CB 0 33.325054 -10.196891 2.841354 1 3771 1 +ATOM N N . ASP C0 3 60 . 60 ASP C0 N 0 30.411648 -10.081203 1.3776937 1 3772 1 +ATOM C CA . ASP C0 3 60 . 60 ASP C0 CA 0 29.647905 -10.244995 0.14757273 1 3773 1 +ATOM C C . ASP C0 3 60 . 60 ASP C0 C 0 28.595211 -9.147455 -0.029617544 1 3774 1 +ATOM O O . ASP C0 3 60 . 60 ASP C0 O 0 27.72797 -9.264927 -0.8966813 1 3775 1 +ATOM C CB . ASP C0 3 60 . 60 ASP C0 CB 0 28.986969 -11.629256 0.101420164 1 3776 1 +ATOM C CG . ASP C0 3 60 . 60 ASP C0 CG 0 27.926102 -11.826147 1.1684933 1 3777 1 +ATOM O OD1 . ASP C0 3 60 . 60 ASP C0 OD1 0 27.69922 -10.900492 1.9772135 1 3778 1 +ATOM O OD2 . ASP C0 3 60 . 60 ASP C0 OD2 0 27.312096 -12.912436 1.1990635 1 3779 1 +ATOM N N . LYS C0 3 61 . 61 LYS C0 N 0 28.688847 -8.106652 0.78434116 1 3780 1 +ATOM C CA . LYS C0 3 61 . 61 LYS C0 CA 0 27.786152 -6.948657 0.7718217 1 3781 1 +ATOM C C . LYS C0 3 61 . 61 LYS C0 C 0 26.425226 -7.2101398 1.4155349 1 3782 1 +ATOM O O . LYS C0 3 61 . 61 LYS C0 O 0 25.570711 -6.3207855 1.4185923 1 3783 1 +ATOM C CB . LYS C0 3 61 . 61 LYS C0 CB 0 27.602861 -6.4011745 -0.6512937 1 3784 1 +ATOM C CG . LYS C0 3 61 . 61 LYS C0 CG 0 28.901573 -5.99879 -1.3332067 1 3785 1 +ATOM C CD . LYS C0 3 61 . 61 LYS C0 CD 0 29.608013 -4.863982 -0.5619567 1 3786 1 +ATOM C CE . LYS C0 3 61 . 61 LYS C0 CE 0 30.858248 -4.4165115 -1.3091455 1 3787 1 +ATOM N NZ . LYS C0 3 61 . 61 LYS C0 NZ 0 31.561396 -3.3362808 -0.57365143 1 3788 1 +ATOM N N . SER C0 3 62 . 62 SER C0 N 0 26.217232 -8.435387 1.931222 1 3789 1 +ATOM C CA . SER C0 3 62 . 62 SER C0 CA 0 24.988644 -8.70476 2.6718926 1 3790 1 +ATOM C C . SER C0 3 62 . 62 SER C0 C 0 25.001307 -7.828263 3.9200852 1 3791 1 +ATOM O O . SER C0 3 62 . 62 SER C0 O 0 26.065575 -7.563897 4.4970107 1 3792 1 +ATOM C CB . SER C0 3 62 . 62 SER C0 CB 0 24.890228 -10.176333 3.0705118 1 3793 1 +ATOM O OG . SER C0 3 62 . 62 SER C0 OG 0 24.807404 -11.0160475 1.9448738 1 3794 1 +ATOM N N . LYS C0 3 63 . 63 LYS C0 N 0 23.841148 -7.398153 4.3433475 1 3795 1 +ATOM C CA . LYS C0 3 63 . 63 LYS C0 CA 0 23.748444 -6.51468 5.503416 1 3796 1 +ATOM C C . LYS C0 3 63 . 63 LYS C0 C 0 23.057182 -7.22209 6.664302 1 3797 1 +ATOM O O . LYS C0 3 63 . 63 LYS C0 O 0 22.096157 -7.9686146 6.4604845 1 3798 1 +ATOM C CB . LYS C0 3 63 . 63 LYS C0 CB 0 23.01576 -5.222023 5.1274023 1 3799 1 +ATOM C CG . LYS C0 3 63 . 63 LYS C0 CG 0 23.741238 -4.4650364 4.026913 1 3800 1 +ATOM C CD . LYS C0 3 63 . 63 LYS C0 CD 0 23.036882 -3.1833131 3.6246204 1 3801 1 +ATOM C CE . LYS C0 3 63 . 63 LYS C0 CE 0 23.807453 -2.4875875 2.5099912 1 3802 1 +ATOM N NZ . LYS C0 3 63 . 63 LYS C0 NZ 0 23.145561 -1.2546048 2.0746233 1 3803 1 +ATOM N N . VAL C0 3 64 . 64 VAL C0 N 0 23.568802 -6.9996758 7.868947 1 3804 1 +ATOM C CA . VAL C0 3 64 . 64 VAL C0 CA 0 23.060415 -7.6489477 9.06785 1 3805 1 +ATOM C C . VAL C0 3 64 . 64 VAL C0 C 0 22.51598 -6.595868 10.027332 1 3806 1 +ATOM O O . VAL C0 3 64 . 64 VAL C0 O 0 23.143326 -5.5556335 10.242794 1 3807 1 +ATOM C CB . VAL C0 3 64 . 64 VAL C0 CB 0 24.156128 -8.479782 9.765499 1 3808 1 +ATOM C CG1 . VAL C0 3 64 . 64 VAL C0 CG1 0 23.597754 -9.196335 10.98206 1 3809 1 +ATOM C CG2 . VAL C0 3 64 . 64 VAL C0 CG2 0 24.76496 -9.475541 8.78752 1 3810 1 +ATOM N N . LYS C0 3 65 . 65 LYS C0 N 0 21.35402 -6.8855963 10.602032 1 3811 1 +ATOM C CA . LYS C0 3 65 . 65 LYS C0 CA 0 20.714626 -5.9662266 11.536821 1 3812 1 +ATOM C C . LYS C0 3 65 . 65 LYS C0 C 0 20.282648 -6.729288 12.781616 1 3813 1 +ATOM O O . LYS C0 3 65 . 65 LYS C0 O 0 19.581856 -7.7388773 12.682402 1 3814 1 +ATOM C CB . LYS C0 3 65 . 65 LYS C0 CB 0 19.500546 -5.2954993 10.883637 1 3815 1 +ATOM C CG . LYS C0 3 65 . 65 LYS C0 CG 0 18.777996 -4.301056 11.777744 1 3816 1 +ATOM C CD . LYS C0 3 65 . 65 LYS C0 CD 0 17.60851 -3.6790173 11.030901 1 3817 1 +ATOM C CE . LYS C0 3 65 . 65 LYS C0 CE 0 16.865582 -2.6715126 11.898653 1 3818 1 +ATOM N NZ . LYS C0 3 65 . 65 LYS C0 NZ 0 15.740739 -2.0693667 11.162019 1 3819 1 +ATOM N N . LEU C0 3 66 . 66 LEU C0 N 0 20.739107 -6.268607 13.937828 1 3820 1 +ATOM C CA . LEU C0 3 66 . 66 LEU C0 CA 0 20.374874 -6.87049 15.214832 1 3821 1 +ATOM C C . LEU C0 3 66 . 66 LEU C0 C 0 19.527847 -5.876703 15.995135 1 3822 1 +ATOM O O . LEU C0 3 66 . 66 LEU C0 O 0 19.97664 -4.7504835 16.268257 1 3823 1 +ATOM C CB . LEU C0 3 66 . 66 LEU C0 CB 0 21.629833 -7.2379875 16.02267 1 3824 1 +ATOM C CG . LEU C0 3 66 . 66 LEU C0 CG 0 21.385424 -7.7543936 17.447021 1 3825 1 +ATOM C CD1 . LEU C0 3 66 . 66 LEU C0 CD1 0 22.71549 -7.8970838 18.184372 1 3826 1 +ATOM C CD2 . LEU C0 3 66 . 66 LEU C0 CD2 0 20.64267 -9.08531 17.425083 1 3827 1 +ATOM N N . THR C0 3 67 . 67 THR C0 N 0 18.303741 -6.270955 16.323381 1 3828 1 +ATOM C CA . THR C0 3 67 . 67 THR C0 CA 0 17.412983 -5.4163184 17.099344 1 3829 1 +ATOM C C . THR C0 3 67 . 67 THR C0 C 0 17.248821 -6.009452 18.495972 1 3830 1 +ATOM O O . THR C0 3 67 . 67 THR C0 O 0 16.887825 -7.177314 18.6386 1 3831 1 +ATOM C CB . THR C0 3 67 . 67 THR C0 CB 0 16.035492 -5.2867646 16.420395 1 3832 1 +ATOM O OG1 . THR C0 3 67 . 67 THR C0 OG1 0 16.20286 -4.756984 15.09771 1 3833 1 +ATOM C CG2 . THR C0 3 67 . 67 THR C0 CG2 0 15.117899 -4.361264 17.217112 1 3834 1 +ATOM N N . ILE C0 3 68 . 68 ILE C0 N 0 17.549156 -5.2070932 19.50568 1 3835 1 +ATOM C CA . ILE C0 3 68 . 68 ILE C0 CA 0 17.44093 -5.626911 20.898863 1 3836 1 +ATOM C C . ILE C0 3 68 . 68 ILE C0 C 0 16.256615 -4.887603 21.523643 1 3837 1 +ATOM O O . ILE C0 3 68 . 68 ILE C0 O 0 16.224691 -3.6527877 21.515007 1 3838 1 +ATOM C CB . ILE C0 3 68 . 68 ILE C0 CB 0 18.737253 -5.303498 21.673704 1 3839 1 +ATOM C CG1 . ILE C0 3 68 . 68 ILE C0 CG1 0 19.944038 -5.9030223 20.943819 1 3840 1 +ATOM C CG2 . ILE C0 3 68 . 68 ILE C0 CG2 0 18.636456 -5.820222 23.105896 1 3841 1 +ATOM C CD1 . ILE C0 3 68 . 68 ILE C0 CD1 0 21.285217 -5.3516183 21.411362 1 3842 1 +ATOM N N . SER C0 3 69 . 69 SER C0 N 0 15.270017 -5.63517 22.048647 1 3843 1 +ATOM C CA . SER C0 3 69 . 69 SER C0 CA 0 14.072808 -5.035443 22.617002 1 3844 1 +ATOM C C . SER C0 3 69 . 69 SER C0 C 0 14.397929 -4.18134 23.842245 1 3845 1 +ATOM O O . SER C0 3 69 . 69 SER C0 O 0 15.415913 -4.3792706 24.50557 1 3846 1 +ATOM C CB . SER C0 3 69 . 69 SER C0 CB 0 13.053289 -6.1126413 22.992281 1 3847 1 +ATOM O OG . SER C0 3 69 . 69 SER C0 OG 0 13.56918 -6.9839964 23.98738 1 3848 1 +ATOM N N . ASP C0 3 70 . 70 ASP C0 N 0 13.51647 -3.2205663 24.134499 1 3849 1 +ATOM C CA . ASP C0 3 70 . 70 ASP C0 CA 0 13.722513 -2.2898164 25.240719 1 3850 1 +ATOM C C . ASP C0 3 70 . 70 ASP C0 C 0 13.899547 -2.9951537 26.58565 1 3851 1 +ATOM O O . ASP C0 3 70 . 70 ASP C0 O 0 14.686169 -2.5421402 27.416122 1 3852 1 +ATOM C CB . ASP C0 3 70 . 70 ASP C0 CB 0 12.55887 -1.2943977 25.333492 1 3853 1 +ATOM C CG . ASP C0 3 70 . 70 ASP C0 CG 0 12.572868 -0.27318883 24.209507 1 3854 1 +ATOM O OD1 . ASP C0 3 70 . 70 ASP C0 OD1 0 13.59019 -0.16694397 23.493029 1 3855 1 +ATOM O OD2 . ASP C0 3 70 . 70 ASP C0 OD2 0 11.555418 0.43749288 24.04374 1 3856 1 +ATOM N N . ASP C0 3 71 . 71 ASP C0 N 0 13.165943 -4.110896 26.79809 1 3857 1 +ATOM C CA . ASP C0 3 71 . 71 ASP C0 CA 0 13.269864 -4.8378134 28.059994 1 3858 1 +ATOM C C . ASP C0 3 71 . 71 ASP C0 C 0 14.341291 -5.9251447 28.019703 1 3859 1 +ATOM O O . ASP C0 3 71 . 71 ASP C0 O 0 14.456385 -6.704424 28.959156 1 3860 1 +ATOM C CB . ASP C0 3 71 . 71 ASP C0 CB 0 11.913004 -5.4369364 28.45595 1 3861 1 +ATOM C CG . ASP C0 3 71 . 71 ASP C0 CG 0 11.416073 -6.4885 27.47694 1 3862 1 +ATOM O OD1 . ASP C0 3 71 . 71 ASP C0 OD1 0 12.099552 -6.7622037 26.46447 1 3863 1 +ATOM O OD2 . ASP C0 3 71 . 71 ASP C0 OD2 0 10.328957 -7.05166 27.721193 1 3864 1 +ATOM N N . LEU C0 3 72 . 72 LEU C0 N 0 15.103838 -5.988832 26.933487 1 3865 1 +ATOM C CA . LEU C0 3 72 . 72 LEU C0 CA 0 16.164804 -6.970075 26.714966 1 3866 1 +ATOM C C . LEU C0 3 72 . 72 LEU C0 C 0 15.649702 -8.407389 26.672495 1 3867 1 +ATOM O O . LEU C0 3 72 . 72 LEU C0 O 0 16.434753 -9.353242 26.772112 1 3868 1 +ATOM C CB . LEU C0 3 72 . 72 LEU C0 CB 0 17.262375 -6.8541465 27.78823 1 3869 1 +ATOM C CG . LEU C0 3 72 . 72 LEU C0 CG 0 17.869461 -5.4679265 28.000816 1 3870 1 +ATOM C CD1 . LEU C0 3 72 . 72 LEU C0 CD1 0 18.980062 -5.5486937 29.045433 1 3871 1 +ATOM C CD2 . LEU C0 3 72 . 72 LEU C0 CD2 0 18.412542 -4.9228053 26.691477 1 3872 1 +ATOM N N . GLY C0 3 73 . 73 GLY C0 N 0 14.330007 -8.569615 26.496101 1 3873 1 +ATOM C CA . GLY C0 3 73 . 73 GLY C0 CA 0 13.72909 -9.893213 26.498459 1 3874 1 +ATOM C C . GLY C0 3 73 . 73 GLY C0 C 0 13.662352 -10.5688 25.143124 1 3875 1 +ATOM O O . GLY C0 3 73 . 73 GLY C0 O 0 13.243862 -11.723831 25.044085 1 3876 1 +ATOM N N . GLN C0 3 74 . 74 GLN C0 N 0 14.066182 -9.880184 24.093155 1 3877 1 +ATOM C CA . GLN C0 3 74 . 74 GLN C0 CA 0 13.999851 -10.453266 22.750738 1 3878 1 +ATOM C C . GLN C0 3 74 . 74 GLN C0 C 0 15.033063 -9.819344 21.827242 1 3879 1 +ATOM O O . GLN C0 3 74 . 74 GLN C0 O 0 15.3136635 -8.61544 21.93045 1 3880 1 +ATOM C CB . GLN C0 3 74 . 74 GLN C0 CB 0 12.592783 -10.259226 22.174755 1 3881 1 +ATOM C CG . GLN C0 3 74 . 74 GLN C0 CG 0 12.373281 -10.897131 20.822548 1 3882 1 +ATOM C CD . GLN C0 3 74 . 74 GLN C0 CD 0 10.953237 -10.726061 20.325298 1 3883 1 +ATOM O OE1 . GLN C0 3 74 . 74 GLN C0 OE1 0 10.043987 -11.445947 20.750599 1 3884 1 +ATOM N NE2 . GLN C0 3 74 . 74 GLN C0 NE2 0 10.741665 -9.748585 19.459717 1 3885 1 +ATOM N N . THR C0 3 75 . 75 THR C0 N 0 15.600391 -10.642984 20.943092 1 3886 1 +ATOM C CA . THR C0 3 75 . 75 THR C0 CA 0 16.497581 -10.138872 19.915539 1 3887 1 +ATOM C C . THR C0 3 75 . 75 THR C0 C 0 15.999787 -10.610734 18.557423 1 3888 1 +ATOM O O . THR C0 3 75 . 75 THR C0 O 0 15.430168 -11.703135 18.438206 1 3889 1 +ATOM C CB . THR C0 3 75 . 75 THR C0 CB 0 17.952469 -10.611561 20.102968 1 3890 1 +ATOM O OG1 . THR C0 3 75 . 75 THR C0 OG1 0 18.008392 -12.041149 20.035248 1 3891 1 +ATOM C CG2 . THR C0 3 75 . 75 THR C0 CG2 0 18.520638 -10.141922 21.435493 1 3892 1 +ATOM N N . THR C0 3 76 . 76 THR C0 N 0 16.185879 -9.769493 17.539202 1 3893 1 +ATOM C CA . THR C0 3 76 . 76 THR C0 CA 0 15.828811 -10.120096 16.174002 1 3894 1 +ATOM C C . THR C0 3 76 . 76 THR C0 C 0 17.077421 -9.913642 15.317386 1 3895 1 +ATOM O O . THR C0 3 76 . 76 THR C0 O 0 17.598999 -8.794158 15.242541 1 3896 1 +ATOM C CB . THR C0 3 76 . 76 THR C0 CB 0 14.679531 -9.241846 15.645521 1 3897 1 +ATOM O OG1 . THR C0 3 76 . 76 THR C0 OG1 0 13.52113 -9.423373 16.472294 1 3898 1 +ATOM C CG2 . THR C0 3 76 . 76 THR C0 CG2 0 14.3294115 -9.6183 14.212267 1 3899 1 +ATOM N N . LEU C0 3 77 . 77 LEU C0 N 0 17.557032 -10.999599 14.707507 1 3900 1 +ATOM C CA . LEU C0 3 77 . 77 LEU C0 CA 0 18.735355 -10.941549 13.856155 1 3901 1 +ATOM C C . LEU C0 3 77 . 77 LEU C0 C 0 18.298256 -11.15278 12.407878 1 3902 1 +ATOM O O . LEU C0 3 77 . 77 LEU C0 O 0 17.75697 -12.20841 12.062916 1 3903 1 +ATOM C CB . LEU C0 3 77 . 77 LEU C0 CB 0 19.758419 -12.010468 14.258251 1 3904 1 +ATOM C CG . LEU C0 3 77 . 77 LEU C0 CG 0 21.070053 -12.018388 13.472186 1 3905 1 +ATOM C CD1 . LEU C0 3 77 . 77 LEU C0 CD1 0 21.887896 -13.252033 13.821843 1 3906 1 +ATOM C CD2 . LEU C0 3 77 . 77 LEU C0 CD2 0 21.869856 -10.752069 13.735458 1 3907 1 +ATOM N N . GLU C0 3 78 . 78 GLU C0 N 0 18.50612 -10.152702 11.573912 1 3908 1 +ATOM C CA . GLU C0 3 78 . 78 GLU C0 CA 0 18.090504 -10.210322 10.18576 1 3909 1 +ATOM C C . GLU C0 3 78 . 78 GLU C0 C 0 19.27615 -10.02972 9.245346 1 3910 1 +ATOM O O . GLU C0 3 78 . 78 GLU C0 O 0 20.174318 -9.2248 9.507793 1 3911 1 +ATOM C CB . GLU C0 3 78 . 78 GLU C0 CB 0 17.03804 -9.127519 9.887068 1 3912 1 +ATOM C CG . GLU C0 3 78 . 78 GLU C0 CG 0 15.734154 -9.3110485 10.651647 1 3913 1 +ATOM C CD . GLU C0 3 78 . 78 GLU C0 CD 0 14.81107 -8.117397 10.541314 1 3914 1 +ATOM O OE1 . GLU C0 3 78 . 78 GLU C0 OE1 0 13.722002 -8.244642 9.945491 1 3915 1 +ATOM O OE2 . GLU C0 3 78 . 78 GLU C0 OE2 0 15.180458 -7.0425076 11.050638 1 3916 1 +ATOM N N . VAL C0 3 79 . 79 VAL C0 N 0 19.270653 -10.796709 8.146709 1 3917 1 +ATOM C CA . VAL C0 3 79 . 79 VAL C0 CA 0 20.29529 -10.6761265 7.115915 1 3918 1 +ATOM C C . VAL C0 3 79 . 79 VAL C0 C 0 19.589489 -10.281125 5.8286014 1 3919 1 +ATOM O O . VAL C0 3 79 . 79 VAL C0 O 0 18.581964 -10.895109 5.4539804 1 3920 1 +ATOM C CB . VAL C0 3 79 . 79 VAL C0 CB 0 21.079746 -11.989851 6.9170914 1 3921 1 +ATOM C CG1 . VAL C0 3 79 . 79 VAL C0 CG1 0 22.14522 -11.812201 5.8435874 1 3922 1 +ATOM C CG2 . VAL C0 3 79 . 79 VAL C0 CG2 0 21.709158 -12.433441 8.2355385 1 3923 1 +ATOM N N . PHE C0 3 80 . 80 PHE C0 N 0 20.093527 -9.25801 5.157571 1 3924 1 +ATOM C CA . PHE C0 3 80 . 80 PHE C0 CA 0 19.492998 -8.727015 3.946165 1 3925 1 +ATOM C C . PHE C0 3 80 . 80 PHE C0 C 0 20.438328 -8.854147 2.7526855 1 3926 1 +ATOM O O . PHE C0 3 80 . 80 PHE C0 O 0 21.655746 -8.965786 2.9206998 1 3927 1 +ATOM C CB . PHE C0 3 80 . 80 PHE C0 CB 0 19.151913 -7.240961 4.1210546 1 3928 1 +ATOM C CG . PHE C0 3 80 . 80 PHE C0 CG 0 18.227734 -6.941178 5.26443 1 3929 1 +ATOM C CD1 . PHE C0 3 80 . 80 PHE C0 CD1 0 18.734982 -6.7443013 6.539836 1 3930 1 +ATOM C CD2 . PHE C0 3 80 . 80 PHE C0 CD2 0 16.865108 -6.849128 5.0666065 1 3931 1 +ATOM C CE1 . PHE C0 3 80 . 80 PHE C0 CE1 0 17.886566 -6.464427 7.602129 1 3932 1 +ATOM C CE2 . PHE C0 3 80 . 80 PHE C0 CE2 0 16.01602 -6.567958 6.1173697 1 3933 1 +ATOM C CZ . PHE C0 3 80 . 80 PHE C0 CZ 0 16.523756 -6.373082 7.3918643 1 3934 1 +ATOM N N . LYS C0 3 81 . 81 LYS C0 N 0 19.846096 -8.798077 1.5415297 1 3935 1 +ATOM C CA . LYS C0 3 81 . 81 LYS C0 CA 0 20.66351 -8.728414 0.34012944 1 3936 1 +ATOM C C . LYS C0 3 81 . 81 LYS C0 C 0 21.352255 -7.365257 0.3269905 1 3937 1 +ATOM O O . LYS C0 3 81 . 81 LYS C0 O 0 21.095428 -6.512374 1.1795647 1 3938 1 +ATOM C CB . LYS C0 3 81 . 81 LYS C0 CB 0 19.797768 -8.907866 -0.91148496 1 3939 1 +ATOM C CG . LYS C0 3 81 . 81 LYS C0 CG 0 19.22827 -10.319438 -1.0484601 1 3940 1 +ATOM C CD . LYS C0 3 81 . 81 LYS C0 CD 0 18.283371 -10.437668 -2.2403374 1 3941 1 +ATOM C CE . LYS C0 3 81 . 81 LYS C0 CE 0 19.022682 -10.372404 -3.5609722 1 3942 1 +ATOM N NZ . LYS C0 3 81 . 81 LYS C0 NZ 0 18.11904 -10.651534 -4.704115 1 3943 1 +ATOM N N . GLU C0 3 82 . 82 GLU C0 N 0 22.222103 -7.127183 -0.6639515 1 3944 1 +ATOM C CA . GLU C0 3 82 . 82 GLU C0 CA 0 22.99347 -5.883848 -0.6863804 1 3945 1 +ATOM C C . GLU C0 3 82 . 82 GLU C0 C 0 22.140583 -4.6267877 -0.8012242 1 3946 1 +ATOM O O . GLU C0 3 82 . 82 GLU C0 O 0 22.624596 -3.5376997 -0.4981406 1 3947 1 +ATOM C CB . GLU C0 3 82 . 82 GLU C0 CB 0 24.03958 -5.9206743 -1.8087287 1 3948 1 +ATOM C CG . GLU C0 3 82 . 82 GLU C0 CG 0 23.480947 -5.9930162 -3.2159948 1 3949 1 +ATOM C CD . GLU C0 3 82 . 82 GLU C0 CD 0 24.591595 -6.0205235 -4.2526045 1 3950 1 +ATOM O OE1 . GLU C0 3 82 . 82 GLU C0 OE1 0 24.83014 -7.0955477 -4.835966 1 3951 1 +ATOM O OE2 . GLU C0 3 82 . 82 GLU C0 OE2 0 25.244171 -4.980013 -4.458231 1 3952 1 +ATOM N N . ASP C0 3 83 . 83 ASP C0 N 0 20.861835 -4.759524 -1.219418 1 3953 1 +ATOM C CA . ASP C0 3 83 . 83 ASP C0 CA 0 20.002323 -3.584546 -1.2965395 1 3954 1 +ATOM C C . ASP C0 3 83 . 83 ASP C0 C 0 19.609545 -3.0980365 0.103658244 1 3955 1 +ATOM O O . ASP C0 3 83 . 83 ASP C0 O 0 19.0536 -2.0127234 0.2536713 1 3956 1 +ATOM C CB . ASP C0 3 83 . 83 ASP C0 CB 0 18.750021 -3.8468542 -2.142946 1 3957 1 +ATOM C CG . ASP C0 3 83 . 83 ASP C0 CG 0 17.930058 -5.0389233 -1.6595597 1 3958 1 +ATOM O OD1 . ASP C0 3 83 . 83 ASP C0 OD1 0 17.809341 -5.2377105 -0.42688334 1 3959 1 +ATOM O OD2 . ASP C0 3 83 . 83 ASP C0 OD2 0 17.403463 -5.7758102 -2.515206 1 3960 1 +ATOM N N . GLY C0 3 84 . 84 GLY C0 N 0 19.920181 -3.90538 1.1140245 1 3961 1 +ATOM C CA . GLY C0 3 84 . 84 GLY C0 CA 0 19.656918 -3.5440764 2.4926887 1 3962 1 +ATOM C C . GLY C0 3 84 . 84 GLY C0 C 0 18.207314 -3.6391504 2.9162667 1 3963 1 +ATOM O O . GLY C0 3 84 . 84 GLY C0 O 0 17.85503 -3.21842 4.0262823 1 3964 1 +ATOM N N . LYS C0 3 85 . 85 LYS C0 N 0 17.363617 -4.209285 2.0611045 1 3965 1 +ATOM C CA . LYS C0 3 85 . 85 LYS C0 CA 0 15.935938 -4.3048077 2.3438528 1 3966 1 +ATOM C C . LYS C0 3 85 . 85 LYS C0 C 0 15.357201 -5.6937037 2.1322837 1 3967 1 +ATOM O O . LYS C0 3 85 . 85 LYS C0 O 0 14.4802475 -6.1165466 2.8861537 1 3968 1 +ATOM C CB . LYS C0 3 85 . 85 LYS C0 CB 0 15.163641 -3.2838268 1.4865191 1 3969 1 +ATOM C CG . LYS C0 3 85 . 85 LYS C0 CG 0 15.588241 -1.8401366 1.7356418 1 3970 1 +ATOM C CD . LYS C0 3 85 . 85 LYS C0 CD 0 14.949652 -0.8977427 0.7277086 1 3971 1 +ATOM C CE . LYS C0 3 85 . 85 LYS C0 CE 0 15.468605 0.5193635 0.9152147 1 3972 1 +ATOM N NZ . LYS C0 3 85 . 85 LYS C0 NZ 0 14.922497 1.4271977 -0.104345135 1 3973 1 +ATOM N N . THR C0 3 86 . 86 THR C0 N 0 15.825253 -6.4111605 1.1023861 1 3974 1 +ATOM C CA . THR C0 3 86 . 86 THR C0 CA 0 15.304697 -7.7359962 0.7946962 1 3975 1 +ATOM C C . THR C0 3 86 . 86 THR C0 C 0 15.839609 -8.747164 1.8111761 1 3976 1 +ATOM O O . THR C0 3 86 . 86 THR C0 O 0 17.048126 -8.957592 1.9088752 1 3977 1 +ATOM C CB . THR C0 3 86 . 86 THR C0 CB 0 15.700024 -8.16679 -0.6237605 1 3978 1 +ATOM O OG1 . THR C0 3 86 . 86 THR C0 OG1 0 15.264381 -7.1783504 -1.557188 1 3979 1 +ATOM C CG2 . THR C0 3 86 . 86 THR C0 CG2 0 15.074575 -9.511827 -0.97579265 1 3980 1 +ATOM N N . LEU C0 3 87 . 87 LEU C0 N 0 14.9214 -9.404028 2.5316067 1 3981 1 +ATOM C CA . LEU C0 3 87 . 87 LEU C0 CA 0 15.293659 -10.311386 3.617186 1 3982 1 +ATOM C C . LEU C0 3 87 . 87 LEU C0 C 0 15.785952 -11.662537 3.0977564 1 3983 1 +ATOM O O . LEU C0 3 87 . 87 LEU C0 O 0 15.180864 -12.253565 2.2006989 1 3984 1 +ATOM C CB . LEU C0 3 87 . 87 LEU C0 CB 0 14.093685 -10.507315 4.546789 1 3985 1 +ATOM C CG . LEU C0 3 87 . 87 LEU C0 CG 0 14.34248 -11.128635 5.923434 1 3986 1 +ATOM C CD1 . LEU C0 3 87 . 87 LEU C0 CD1 0 13.014881 -11.217428 6.6695023 1 3987 1 +ATOM C CD2 . LEU C0 3 87 . 87 LEU C0 CD2 0 15.361774 -10.326406 6.708447 1 3988 1 +ATOM N N . VAL C0 3 88 . 88 VAL C0 N 0 16.884336 -12.131561 3.6757162 1 3989 1 +ATOM C CA . VAL C0 3 88 . 88 VAL C0 CA 0 17.458618 -13.433884 3.34633 1 3990 1 +ATOM C C . VAL C0 3 88 . 88 VAL C0 C 0 17.172829 -14.416006 4.478672 1 3991 1 +ATOM O O . VAL C0 3 88 . 88 VAL C0 O 0 16.80679 -15.565308 4.227698 1 3992 1 +ATOM C CB . VAL C0 3 88 . 88 VAL C0 CB 0 18.979313 -13.32789 3.105949 1 3993 1 +ATOM C CG1 . VAL C0 3 88 . 88 VAL C0 CG1 0 19.586792 -14.711284 2.9287777 1 3994 1 +ATOM C CG2 . VAL C0 3 88 . 88 VAL C0 CG2 0 19.266346 -12.441753 1.8937998 1 3995 1 +ATOM N N . SER C0 3 89 . 89 SER C0 N 0 17.3454 -13.982244 5.7134647 1 3996 1 +ATOM C CA . SER C0 3 89 . 89 SER C0 CA 0 17.063913 -14.81625 6.873449 1 3997 1 +ATOM C C . SER C0 3 89 . 89 SER C0 C 0 16.688786 -13.94466 8.061071 1 3998 1 +ATOM O O . SER C0 3 89 . 89 SER C0 O 0 17.032267 -12.754707 8.110451 1 3999 1 +ATOM C CB . SER C0 3 89 . 89 SER C0 CB 0 18.262497 -15.699656 7.2343693 1 4000 1 +ATOM O OG . SER C0 3 89 . 89 SER C0 OG 0 19.359484 -14.930452 7.668186 1 4001 1 +ATOM N N . LYS C0 3 90 . 90 LYS C0 N 0 15.974224 -14.560375 9.013526 1 4002 1 +ATOM C CA . LYS C0 3 90 . 90 LYS C0 CA 0 15.525879 -13.840845 10.201031 1 4003 1 +ATOM C C . LYS C0 3 90 . 90 LYS C0 C 0 15.436139 -14.802561 11.374231 1 4004 1 +ATOM O O . LYS C0 3 90 . 90 LYS C0 O 0 14.88949 -15.902784 11.231438 1 4005 1 +ATOM C CB . LYS C0 3 90 . 90 LYS C0 CB 0 14.154454 -13.191311 9.950298 1 4006 1 +ATOM C CG . LYS C0 3 90 . 90 LYS C0 CG 0 13.562976 -12.482877 11.159513 1 4007 1 +ATOM C CD . LYS C0 3 90 . 90 LYS C0 CD 0 12.177082 -11.945123 10.829968 1 4008 1 +ATOM C CE . LYS C0 3 90 . 90 LYS C0 CE 0 11.547867 -11.231517 12.027332 1 4009 1 +ATOM N NZ . LYS C0 3 90 . 90 LYS C0 NZ 0 10.206562 -10.736023 11.701288 1 4010 1 +ATOM N N . LYS C0 3 91 . 91 LYS C0 N 0 15.984489 -14.402155 12.5161085 1 4011 1 +ATOM C CA . LYS C0 3 91 . 91 LYS C0 CA 0 15.909266 -15.218514 13.716765 1 4012 1 +ATOM C C . LYS C0 3 91 . 91 LYS C0 C 0 15.495928 -14.361007 14.8980255 1 4013 1 +ATOM O O . LYS C0 3 91 . 91 LYS C0 O 0 16.139418 -13.350248 15.196096 1 4014 1 +ATOM C CB . LYS C0 3 91 . 91 LYS C0 CB 0 17.252806 -15.903025 14.019682 1 4015 1 +ATOM C CG . LYS C0 3 91 . 91 LYS C0 CG 0 17.176802 -16.850471 15.215495 1 4016 1 +ATOM C CD . LYS C0 3 91 . 91 LYS C0 CD 0 18.481647 -17.60763 15.413776 1 4017 1 +ATOM C CE . LYS C0 3 91 . 91 LYS C0 CE 0 18.359684 -18.606194 16.563519 1 4018 1 +ATOM N NZ . LYS C0 3 91 . 91 LYS C0 NZ 0 19.605698 -19.371675 16.745857 1 4019 1 +ATOM N N . VAL C0 3 92 . 92 VAL C0 N 0 14.398264 -14.757103 15.536496 1 4020 1 +ATOM C CA . VAL C0 3 92 . 92 VAL C0 CA 0 13.899858 -14.056486 16.719334 1 4021 1 +ATOM C C . VAL C0 3 92 . 92 VAL C0 C 0 14.102583 -14.973073 17.915848 1 4022 1 +ATOM O O . VAL C0 3 92 . 92 VAL C0 O 0 13.6663265 -16.125067 17.898842 1 4023 1 +ATOM C CB . VAL C0 3 92 . 92 VAL C0 CB 0 12.404498 -13.697626 16.583288 1 4024 1 +ATOM C CG1 . VAL C0 3 92 . 92 VAL C0 CG1 0 11.918993 -12.970129 17.83234 1 4025 1 +ATOM C CG2 . VAL C0 3 92 . 92 VAL C0 CG2 0 12.17255 -12.848679 15.336334 1 4026 1 +ATOM N N . THR C0 3 93 . 93 THR C0 N 0 14.785582 -14.487589 18.932781 1 4027 1 +ATOM C CA . THR C0 3 93 . 93 THR C0 CA 0 15.059337 -15.276655 20.12548 1 4028 1 +ATOM C C . THR C0 3 93 . 93 THR C0 C 0 14.490927 -14.567246 21.352169 1 4029 1 +ATOM O O . THR C0 3 93 . 93 THR C0 O 0 14.724591 -13.373601 21.55001 1 4030 1 +ATOM C CB . THR C0 3 93 . 93 THR C0 CB 0 16.570166 -15.497351 20.308952 1 4031 1 +ATOM O OG1 . THR C0 3 93 . 93 THR C0 OG1 0 17.112797 -16.085836 19.133022 1 4032 1 +ATOM C CG2 . THR C0 3 93 . 93 THR C0 CG2 0 16.849634 -16.406004 21.503872 1 4033 1 +ATOM N N . SER C0 3 94 . 94 SER C0 N 0 13.734066 -15.325202 22.157742 1 4034 1 +ATOM C CA . SER C0 3 94 . 94 SER C0 CA 0 13.103183 -14.7815485 23.358171 1 4035 1 +ATOM C C . SER C0 3 94 . 94 SER C0 C 0 13.913749 -15.12962 24.606379 1 4036 1 +ATOM O O . SER C0 3 94 . 94 SER C0 O 0 14.697563 -16.076138 24.611153 1 4037 1 +ATOM C CB . SER C0 3 94 . 94 SER C0 CB 0 11.676195 -15.304113 23.491646 1 4038 1 +ATOM O OG . SER C0 3 94 . 94 SER C0 OG 0 11.052056 -14.821454 24.665335 1 4039 1 +ATOM N N . LYS C0 3 95 . 95 LYS C0 N 0 13.687816 -14.375319 25.66963 1 4040 1 +ATOM C CA . LYS C0 3 95 . 95 LYS C0 CA 0 14.3873005 -14.594874 26.9267 1 4041 1 +ATOM C C . LYS C0 3 95 . 95 LYS C0 C 0 14.076312 -15.964699 27.524193 1 4042 1 +ATOM O O . LYS C0 3 95 . 95 LYS C0 O 0 14.874792 -16.513206 28.294575 1 4043 1 +ATOM C CB . LYS C0 3 95 . 95 LYS C0 CB 0 14.030271 -13.486927 27.930546 1 4044 1 +ATOM C CG . LYS C0 3 95 . 95 LYS C0 CG 0 14.917723 -13.445637 29.160267 1 4045 1 +ATOM C CD . LYS C0 3 95 . 95 LYS C0 CD 0 14.633665 -12.198854 29.983477 1 4046 1 +ATOM C CE . LYS C0 3 95 . 95 LYS C0 CE 0 15.598647 -12.0934105 31.150703 1 4047 1 +ATOM N NZ . LYS C0 3 95 . 95 LYS C0 NZ 0 15.402754 -10.844082 31.905735 1 4048 1 +ATOM N N . ASP C0 3 96 . 96 ASP C0 N 0 12.908815 -16.552235 27.18056 1 4049 1 +ATOM C CA . ASP C0 3 96 . 96 ASP C0 CA 0 12.531242 -17.86353 27.70755 1 4050 1 +ATOM C C . ASP C0 3 96 . 96 ASP C0 C 0 13.166094 -19.010838 26.92652 1 4051 1 +ATOM O O . ASP C0 3 96 . 96 ASP C0 O 0 12.762476 -20.160944 27.070192 1 4052 1 +ATOM C CB . ASP C0 3 96 . 96 ASP C0 CB 0 11.003239 -18.012589 27.739202 1 4053 1 +ATOM C CG . ASP C0 3 96 . 96 ASP C0 CG 0 10.370449 -18.08739 26.360836 1 4054 1 +ATOM O OD1 . ASP C0 3 96 . 96 ASP C0 OD1 0 11.088757 -17.946507 25.347038 1 4055 1 +ATOM O OD2 . ASP C0 3 96 . 96 ASP C0 OD2 0 9.142255 -18.286991 26.28392 1 4056 1 +ATOM N N . LYS C0 3 97 . 97 LYS C0 N 0 14.134563 -18.701996 26.077358 1 4057 1 +ATOM C CA . LYS C0 3 97 . 97 LYS C0 CA 0 14.900589 -19.654188 25.255116 1 4058 1 +ATOM C C . LYS C0 3 97 . 97 LYS C0 C 0 14.18338 -20.099852 23.983688 1 4059 1 +ATOM O O . LYS C0 3 97 . 97 LYS C0 O 0 14.749424 -20.867733 23.196142 1 4060 1 +ATOM C CB . LYS C0 3 97 . 97 LYS C0 CB 0 15.31738 -20.88477 26.065092 1 4061 1 +ATOM C CG . LYS C0 3 97 . 97 LYS C0 CG 0 16.037788 -20.55917 27.368597 1 4062 1 +ATOM C CD . LYS C0 3 97 . 97 LYS C0 CD 0 17.331188 -19.779728 27.130556 1 4063 1 +ATOM C CE . LYS C0 3 97 . 97 LYS C0 CE 0 18.055183 -19.53532 28.44283 1 4064 1 +ATOM N NZ . LYS C0 3 97 . 97 LYS C0 NZ 0 19.281929 -18.72993 28.243032 1 4065 1 +ATOM N N . SER C0 3 98 . 98 SER C0 N 0 12.9453535 -19.65126 23.753084 1 4066 1 +ATOM C CA . SER C0 3 98 . 98 SER C0 CA 0 12.250877 -20.005428 22.524141 1 4067 1 +ATOM C C . SER C0 3 98 . 98 SER C0 C 0 12.789406 -19.147524 21.378216 1 4068 1 +ATOM O O . SER C0 3 98 . 98 SER C0 O 0 13.298916 -18.04599 21.591486 1 4069 1 +ATOM C CB . SER C0 3 98 . 98 SER C0 CB 0 10.737825 -19.801199 22.668089 1 4070 1 +ATOM O OG . SER C0 3 98 . 98 SER C0 OG 0 10.413282 -18.441666 22.86522 1 4071 1 +ATOM N N . SER C0 3 99 . 99 SER C0 N 0 12.685897 -19.699514 20.156551 1 4072 1 +ATOM C CA . SER C0 3 99 . 99 SER C0 CA 0 13.159313 -18.953903 18.99979 1 4073 1 +ATOM C C . SER C0 3 99 . 99 SER C0 C 0 12.4335785 -19.387497 17.73233 1 4074 1 +ATOM O O . SER C0 3 99 . 99 SER C0 O 0 11.866833 -20.480427 17.666225 1 4075 1 +ATOM C CB . SER C0 3 99 . 99 SER C0 CB 0 14.670622 -19.123055 18.806833 1 4076 1 +ATOM O OG . SER C0 3 99 . 99 SER C0 OG 0 14.985818 -20.443346 18.417528 1 4077 1 +ATOM N N . THR C0 3 100 . 100 THR C0 N 0 12.429676 -18.486326 16.740448 1 4078 1 +ATOM C CA . THR C0 3 100 . 100 THR C0 CA 0 11.884551 -18.785906 15.424995 1 4079 1 +ATOM C C . THR C0 3 100 . 100 THR C0 C 0 12.931622 -18.351097 14.404026 1 4080 1 +ATOM O O . THR C0 3 100 . 100 THR C0 O 0 13.360085 -17.191513 14.411471 1 4081 1 +ATOM C CB . THR C0 3 100 . 100 THR C0 CB 0 10.565071 -18.034775 15.164582 1 4082 1 +ATOM O OG1 . THR C0 3 100 . 100 THR C0 OG1 0 9.595856 -18.42356 16.141941 1 4083 1 +ATOM C CG2 . THR C0 3 100 . 100 THR C0 CG2 0 10.026616 -18.358927 13.778938 1 4084 1 +ATOM N N . GLU C0 3 101 . 101 GLU C0 N 0 13.350985 -19.293695 13.5669155 1 4085 1 +ATOM C CA . GLU C0 3 101 . 101 GLU C0 CA 0 14.363089 -19.016466 12.55083 1 4086 1 +ATOM C C . GLU C0 3 101 . 101 GLU C0 C 0 13.774295 -19.2968 11.171499 1 4087 1 +ATOM O O . GLU C0 3 101 . 101 GLU C0 O 0 13.191463 -20.359371 10.949623 1 4088 1 +ATOM C CB . GLU C0 3 101 . 101 GLU C0 CB 0 15.609589 -19.875221 12.786745 1 4089 1 +ATOM C CG . GLU C0 3 101 . 101 GLU C0 CG 0 16.74645 -19.58659 11.826335 1 4090 1 +ATOM C CD . GLU C0 3 101 . 101 GLU C0 CD 0 18.036669 -20.277752 12.211861 1 4091 1 +ATOM O OE1 . GLU C0 3 101 . 101 GLU C0 OE1 0 18.031391 -21.106726 13.145933 1 4092 1 +ATOM O OE2 . GLU C0 3 101 . 101 GLU C0 OE2 0 19.080984 -19.98793 11.589427 1 4093 1 +ATOM N N . GLU C0 3 102 . 102 GLU C0 N 0 13.91717 -18.341446 10.25915 1 4094 1 +ATOM C CA . GLU C0 3 102 . 102 GLU C0 CA 0 13.353432 -18.466835 8.929728 1 4095 1 +ATOM C C . GLU C0 3 102 . 102 GLU C0 C 0 14.376206 -18.140522 7.844472 1 4096 1 +ATOM O O . GLU C0 3 102 . 102 GLU C0 O 0 15.231888 -17.27195 8.029997 1 4097 1 +ATOM C CB . GLU C0 3 102 . 102 GLU C0 CB 0 12.147461 -17.526371 8.752052 1 4098 1 +ATOM C CG . GLU C0 3 102 . 102 GLU C0 CG 0 10.972228 -17.829967 9.667549 1 4099 1 +ATOM C CD . GLU C0 3 102 . 102 GLU C0 CD 0 10.000306 -16.673267 9.760333 1 4100 1 +ATOM O OE1 . GLU C0 3 102 . 102 GLU C0 OE1 0 8.866274 -16.79604 9.253865 1 4101 1 +ATOM O OE2 . GLU C0 3 102 . 102 GLU C0 OE2 0 10.379642 -15.635281 10.337744 1 4102 1 +ATOM N N . LYS C0 3 103 . 103 LYS C0 N 0 14.272708 -18.838503 6.7204666 1 4103 1 +ATOM C CA . LYS C0 3 103 . 103 LYS C0 CA 0 15.055929 -18.540089 5.526359 1 4104 1 +ATOM C C . LYS C0 3 103 . 103 LYS C0 C 0 14.078031 -18.22652 4.413269 1 4105 1 +ATOM O O . LYS C0 3 103 . 103 LYS C0 O 0 12.994421 -18.818472 4.345353 1 4106 1 +ATOM C CB . LYS C0 3 103 . 103 LYS C0 CB 0 15.958031 -19.71856 5.1427326 1 4107 1 +ATOM C CG . LYS C0 3 103 . 103 LYS C0 CG 0 17.086655 -19.970718 6.1336746 1 4108 1 +ATOM C CD . LYS C0 3 103 . 103 LYS C0 CD 0 18.00549 -21.088394 5.639016 1 4109 1 +ATOM C CE . LYS C0 3 103 . 103 LYS C0 CE 0 19.133091 -21.33298 6.63125 1 4110 1 +ATOM N NZ . LYS C0 3 103 . 103 LYS C0 NZ 0 20.0113 -22.440468 6.1935196 1 4111 1 +ATOM N N . PHE C0 3 104 . 104 PHE C0 N 0 14.453199 -17.297714 3.5241225 1 4112 1 +ATOM C CA . PHE C0 3 104 . 104 PHE C0 CA 0 13.555132 -16.823158 2.4813015 1 4113 1 +ATOM C C . PHE C0 3 104 . 104 PHE C0 C 0 14.128861 -17.055275 1.0851965 1 4114 1 +ATOM O O . PHE C0 3 104 . 104 PHE C0 O 0 15.349057 -17.01259 0.89715064 1 4115 1 +ATOM C CB . PHE C0 3 104 . 104 PHE C0 CB 0 13.267429 -15.330009 2.6777613 1 4116 1 +ATOM C CG . PHE C0 3 104 . 104 PHE C0 CG 0 12.668917 -15.012007 4.0202622 1 4117 1 +ATOM C CD1 . PHE C0 3 104 . 104 PHE C0 CD1 0 13.477903 -14.881147 5.140167 1 4118 1 +ATOM C CD2 . PHE C0 3 104 . 104 PHE C0 CD2 0 11.3033085 -14.862068 4.1656604 1 4119 1 +ATOM C CE1 . PHE C0 3 104 . 104 PHE C0 CE1 0 12.920189 -14.612691 6.386041 1 4120 1 +ATOM C CE2 . PHE C0 3 104 . 104 PHE C0 CE2 0 10.748325 -14.585934 5.3993163 1 4121 1 +ATOM C CZ . PHE C0 3 104 . 104 PHE C0 CZ 0 11.56061 -14.460438 6.515724 1 4122 1 +ATOM N N . ASN C0 3 105 . 105 ASN C0 N 0 13.232517 -17.294144 0.11696136 1 4123 1 +ATOM C CA . ASN C0 3 105 . 105 ASN C0 CA 0 13.683306 -17.475525 -1.2569036 1 4124 1 +ATOM C C . ASN C0 3 105 . 105 ASN C0 C 0 13.737915 -16.12424 -1.9652215 1 4125 1 +ATOM O O . ASN C0 3 105 . 105 ASN C0 O 0 13.484622 -15.0741825 -1.3580779 1 4126 1 +ATOM C CB . ASN C0 3 105 . 105 ASN C0 CB 0 12.788921 -18.469273 -2.0095227 1 4127 1 +ATOM C CG . ASN C0 3 105 . 105 ASN C0 CG 0 11.356746 -17.995525 -2.1801934 1 4128 1 +ATOM O OD1 . ASN C0 3 105 . 105 ASN C0 OD1 0 11.05999 -16.806274 -2.078939 1 4129 1 +ATOM N ND2 . ASN C0 3 105 . 105 ASN C0 ND2 0 10.463025 -18.941925 -2.4635763 1 4130 1 +ATOM N N . GLU C0 3 106 . 106 GLU C0 N 0 14.069999 -16.106087 -3.2668486 1 4131 1 +ATOM C CA . GLU C0 3 106 . 106 GLU C0 CA 0 14.2566395 -14.854761 -3.99606 1 4132 1 +ATOM C C . GLU C0 3 106 . 106 GLU C0 C 0 12.973097 -14.045834 -4.1573715 1 4133 1 +ATOM O O . GLU C0 3 106 . 106 GLU C0 O 0 13.0360155 -12.854166 -4.4495087 1 4134 1 +ATOM C CB . GLU C0 3 106 . 106 GLU C0 CB 0 14.878941 -15.125372 -5.370838 1 4135 1 +ATOM C CG . GLU C0 3 106 . 106 GLU C0 CG 0 14.036814 -16.00916 -6.277936 1 4136 1 +ATOM C CD . GLU C0 3 106 . 106 GLU C0 CD 0 14.7172985 -16.301365 -7.606894 1 4137 1 +ATOM O OE1 . GLU C0 3 106 . 106 GLU C0 OE1 0 15.614181 -15.542728 -7.9931974 1 4138 1 +ATOM O OE2 . GLU C0 3 106 . 106 GLU C0 OE2 0 14.340107 -17.306856 -8.2653885 1 4139 1 +ATOM N N . LYS C0 3 107 . 107 LYS C0 N 0 11.788109 -14.67758 -3.9545593 1 4140 1 +ATOM C CA . LYS C0 3 107 . 107 LYS C0 CA 0 10.5177765 -13.966859 -4.0364084 1 4141 1 +ATOM C C . LYS C0 3 107 . 107 LYS C0 C 0 10.118019 -13.338667 -2.7006397 1 4142 1 +ATOM O O . LYS C0 3 107 . 107 LYS C0 O 0 9.105181 -12.649494 -2.624279 1 4143 1 +ATOM C CB . LYS C0 3 107 . 107 LYS C0 CB 0 9.39834 -14.902397 -4.495064 1 4144 1 +ATOM C CG . LYS C0 3 107 . 107 LYS C0 CG 0 9.545898 -15.419043 -5.9067163 1 4145 1 +ATOM C CD . LYS C0 3 107 . 107 LYS C0 CD 0 8.335051 -16.271816 -6.2734947 1 4146 1 +ATOM C CE . LYS C0 3 107 . 107 LYS C0 CE 0 8.471531 -16.825708 -7.6749115 1 4147 1 +ATOM N NZ . LYS C0 3 107 . 107 LYS C0 NZ 0 7.2788496 -17.614307 -8.048897 1 4148 1 +ATOM N N . GLY C0 3 108 . 108 GLY C0 N 0 10.917655 -13.597298 -1.6607974 1 4149 1 +ATOM C CA . GLY C0 3 108 . 108 GLY C0 CA 0 10.575699 -13.10746 -0.34463504 1 4150 1 +ATOM C C . GLY C0 3 108 . 108 GLY C0 C 0 9.635559 -14.032818 0.40605068 1 4151 1 +ATOM O O . GLY C0 3 108 . 108 GLY C0 O 0 9.056758 -13.632908 1.4184053 1 4152 1 +ATOM N N . GLU C0 3 109 . 109 GLU C0 N 0 9.475716 -15.288033 -0.07668203 1 4153 1 +ATOM C CA . GLU C0 3 109 . 109 GLU C0 CA 0 8.62303 -16.280895 0.56294227 1 4154 1 +ATOM C C . GLU C0 3 109 . 109 GLU C0 C 0 9.456961 -17.1122 1.5314673 1 4155 1 +ATOM O O . GLU C0 3 109 . 109 GLU C0 O 0 10.600497 -17.450115 1.2355888 1 4156 1 +ATOM C CB . GLU C0 3 109 . 109 GLU C0 CB 0 8.00473 -17.221651 -0.48109877 1 4157 1 +ATOM C CG . GLU C0 3 109 . 109 GLU C0 CG 0 7.231471 -16.509476 -1.5780835 1 4158 1 +ATOM C CD . GLU C0 3 109 . 109 GLU C0 CD 0 6.9858074 -17.400839 -2.7887137 1 4159 1 +ATOM O OE1 . GLU C0 3 109 . 109 GLU C0 OE1 0 6.106431 -17.043758 -3.6005025 1 4160 1 +ATOM O OE2 . GLU C0 3 109 . 109 GLU C0 OE2 0 7.656704 -18.437405 -2.9340065 1 4161 1 +ATOM N N . VAL C0 3 110 . 110 VAL C0 N 0 8.873276 -17.45848 2.6645925 1 4162 1 +ATOM C CA . VAL C0 3 110 . 110 VAL C0 CA 0 9.601636 -18.298847 3.6101038 1 4163 1 +ATOM C C . VAL C0 3 110 . 110 VAL C0 C 0 9.740226 -19.697357 3.0007553 1 4164 1 +ATOM O O . VAL C0 3 110 . 110 VAL C0 O 0 8.76984 -20.26464 2.4903584 1 4165 1 +ATOM C CB . VAL C0 3 110 . 110 VAL C0 CB 0 8.900177 -18.344707 4.9912415 1 4166 1 +ATOM C CG1 . VAL C0 3 110 . 110 VAL C0 CG1 0 9.756577 -19.119022 5.9899616 1 4167 1 +ATOM C CG2 . VAL C0 3 110 . 110 VAL C0 CG2 0 7.5175996 -18.94896 4.88104 1 4168 1 +ATOM N N . SER C0 3 111 . 111 SER C0 N 0 10.967072 -20.228935 2.9976435 1 4169 1 +ATOM C CA . SER C0 3 111 . 111 SER C0 CA 0 11.236831 -21.549887 2.4244738 1 4170 1 +ATOM C C . SER C0 3 111 . 111 SER C0 C 0 11.576746 -22.57359 3.5022101 1 4171 1 +ATOM O O . SER C0 3 111 . 111 SER C0 O 0 11.3767605 -23.772861 3.2885537 1 4172 1 +ATOM C CB . SER C0 3 111 . 111 SER C0 CB 0 12.385115 -21.468044 1.4133517 1 4173 1 +ATOM O OG . SER C0 3 111 . 111 SER C0 OG 0 13.5560055 -20.952244 2.0106666 1 4174 1 +ATOM N N . GLU C0 3 112 . 112 GLU C0 N 0 12.086262 -22.132507 4.645829 1 4175 1 +ATOM C CA . GLU C0 3 112 . 112 GLU C0 CA 0 12.395566 -22.989271 5.783342 1 4176 1 +ATOM C C . GLU C0 3 112 . 112 GLU C0 C 0 12.033931 -22.253277 7.0620956 1 4177 1 +ATOM O O . GLU C0 3 112 . 112 GLU C0 O 0 12.145653 -21.028934 7.1314526 1 4178 1 +ATOM C CB . GLU C0 3 112 . 112 GLU C0 CB 0 13.892946 -23.348074 5.8277664 1 4179 1 +ATOM C CG . GLU C0 3 112 . 112 GLU C0 CG 0 14.383681 -24.120884 4.612167 1 4180 1 +ATOM C CD . GLU C0 3 112 . 112 GLU C0 CD 0 15.864845 -24.466629 4.696714 1 4181 1 +ATOM O OE1 . GLU C0 3 112 . 112 GLU C0 OE1 0 16.474045 -24.745506 3.6480145 1 4182 1 +ATOM O OE2 . GLU C0 3 112 . 112 GLU C0 OE2 0 16.421688 -24.454617 5.8151836 1 4183 1 +ATOM N N . LYS C0 3 113 . 113 LYS C0 N 0 11.594876 -23.032248 8.060531 1 4184 1 +ATOM C CA . LYS C0 3 113 . 113 LYS C0 CA 0 11.240822 -22.420288 9.334191 1 4185 1 +ATOM C C . LYS C0 3 113 . 113 LYS C0 C 0 11.484478 -23.40362 10.468383 1 4186 1 +ATOM O O . LYS C0 3 113 . 113 LYS C0 O 0 11.090727 -24.574463 10.369936 1 4187 1 +ATOM C CB . LYS C0 3 113 . 113 LYS C0 CB 0 9.768616 -21.97488 9.333352 1 4188 1 +ATOM C CG . LYS C0 3 113 . 113 LYS C0 CG 0 9.334466 -21.224606 10.582751 1 4189 1 +ATOM C CD . LYS C0 3 113 . 113 LYS C0 CD 0 7.8915195 -20.763569 10.440359 1 4190 1 +ATOM C CE . LYS C0 3 113 . 113 LYS C0 CE 0 7.443959 -19.949396 11.654516 1 4191 1 +ATOM N NZ . LYS C0 3 113 . 113 LYS C0 NZ 0 6.059726 -19.486938 11.494407 1 4192 1 +ATOM N N . ILE C0 3 114 . 114 ILE C0 N 0 12.159784 -22.946861 11.515122 1 4193 1 +ATOM C CA . ILE C0 3 114 . 114 ILE C0 CA 0 12.421717 -23.77438 12.685586 1 4194 1 +ATOM C C . ILE C0 3 114 . 114 ILE C0 C 0 11.9282465 -23.029655 13.916782 1 4195 1 +ATOM O O . ILE C0 3 114 . 114 ILE C0 O 0 12.377936 -21.91284 14.1923065 1 4196 1 +ATOM C CB . ILE C0 3 114 . 114 ILE C0 CB 0 13.930867 -24.091492 12.844526 1 4197 1 +ATOM C CG1 . ILE C0 3 114 . 114 ILE C0 CG1 0 14.451264 -24.821781 11.601603 1 4198 1 +ATOM C CG2 . ILE C0 3 114 . 114 ILE C0 CG2 0 14.161991 -24.938572 14.109617 1 4199 1 +ATOM C CD1 . ILE C0 3 114 . 114 ILE C0 CD1 0 15.957325 -25.059135 11.631418 1 4200 1 +ATOM N N . ILE C0 3 115 . 115 ILE C0 N 0 10.983758 -23.66033 14.637279 1 4201 1 +ATOM C CA . ILE C0 3 115 . 115 ILE C0 CA 0 10.458738 -23.080608 15.867292 1 4202 1 +ATOM C C . ILE C0 3 115 . 115 ILE C0 C 0 11.000699 -23.898869 17.037989 1 4203 1 +ATOM O O . ILE C0 3 115 . 115 ILE C0 O 0 10.7381115 -25.09655 17.128183 1 4204 1 +ATOM C CB . ILE C0 3 115 . 115 ILE C0 CB 0 8.919119 -23.097715 15.889555 1 4205 1 +ATOM C CG1 . ILE C0 3 115 . 115 ILE C0 CG1 0 8.362793 -22.30293 14.708779 1 4206 1 +ATOM C CG2 . ILE C0 3 115 . 115 ILE C0 CG2 0 8.403459 -22.544823 17.227394 1 4207 1 +ATOM C CD1 . ILE C0 3 115 . 115 ILE C0 CD1 0 6.861821 -22.448298 14.523572 1 4208 1 +ATOM N N . THR C0 3 116 . 116 THR C0 N 0 11.776249 -23.253819 17.889826 1 4209 1 +ATOM C CA . THR C0 3 116 . 116 THR C0 CA 0 12.304286 -23.914135 19.075884 1 4210 1 +ATOM C C . THR C0 3 116 . 116 THR C0 C 0 11.485217 -23.454247 20.277773 1 4211 1 +ATOM O O . THR C0 3 116 . 116 THR C0 O 0 11.392628 -22.252861 20.552124 1 4212 1 +ATOM C CB . THR C0 3 116 . 116 THR C0 CB 0 13.790385 -23.573368 19.28878 1 4213 1 +ATOM O OG1 . THR C0 3 116 . 116 THR C0 OG1 0 14.54074 -23.981705 18.144257 1 4214 1 +ATOM C CG2 . THR C0 3 116 . 116 THR C0 CG2 0 14.336997 -24.28102 20.52849 1 4215 1 +ATOM N N . ARG C0 3 117 . 117 ARG C0 N 0 10.863157 -24.42384 20.978888 1 4216 1 +ATOM C CA . ARG C0 3 117 . 117 ARG C0 CA 0 10.055891 -24.10361 22.142818 1 4217 1 +ATOM C C . ARG C0 3 117 . 117 ARG C0 C 0 10.940838 -23.893261 23.361774 1 4218 1 +ATOM O O . ARG C0 3 117 . 117 ARG C0 O 0 12.114872 -24.277634 23.368225 1 4219 1 +ATOM C CB . ARG C0 3 117 . 117 ARG C0 CB 0 9.052845 -25.218771 22.405952 1 4220 1 +ATOM C CG . ARG C0 3 117 . 117 ARG C0 CG 0 8.064351 -25.42261 21.271797 1 4221 1 +ATOM C CD . ARG C0 3 117 . 117 ARG C0 CD 0 7.416977 -26.777355 21.408823 1 4222 1 +ATOM N NE . ARG C0 3 117 . 117 ARG C0 NE 0 6.366997 -27.018318 20.421383 1 4223 1 +ATOM C CZ . ARG C0 3 117 . 117 ARG C0 CZ 0 6.118476 -28.204239 19.885708 1 4224 1 +ATOM N NH1 . ARG C0 3 117 . 117 ARG C0 NH1 0 6.853698 -29.260061 20.216217 1 4225 1 +ATOM N NH2 . ARG C0 3 117 . 117 ARG C0 NH2 0 5.133713 -28.33236 19.01125 1 4226 1 +ATOM N N . ALA C0 3 118 . 118 ALA C0 N 0 10.367752 -23.303095 24.397778 1 4227 1 +ATOM C CA . ALA C0 3 118 . 118 ALA C0 CA 0 11.131988 -23.028372 25.612394 1 4228 1 +ATOM C C . ALA C0 3 118 . 118 ALA C0 C 0 11.703768 -24.300161 26.23843 1 4229 1 +ATOM O O . ALA C0 3 118 . 118 ALA C0 O 0 12.757166 -24.253704 26.88158 1 4230 1 +ATOM C CB . ALA C0 3 118 . 118 ALA C0 CB 0 10.257164 -22.289509 26.62053 1 4231 1 +ATOM N N . ASP C0 3 119 . 119 ASP C0 N 0 11.009846 -25.444954 26.042683 1 4232 1 +ATOM C CA . ASP C0 3 119 . 119 ASP C0 CA 0 11.473459 -26.70237 26.625427 1 4233 1 +ATOM C C . ASP C0 3 119 . 119 ASP C0 C 0 12.501984 -27.427485 25.75412 1 4234 1 +ATOM O O . ASP C0 3 119 . 119 ASP C0 O 0 12.924149 -28.529572 26.085453 1 4235 1 +ATOM C CB . ASP C0 3 119 . 119 ASP C0 CB 0 10.29619 -27.632689 26.929794 1 4236 1 +ATOM C CG . ASP C0 3 119 . 119 ASP C0 CG 0 9.52194 -28.053215 25.69581 1 4237 1 +ATOM O OD1 . ASP C0 3 119 . 119 ASP C0 OD1 0 9.967331 -27.763132 24.562065 1 4238 1 +ATOM O OD2 . ASP C0 3 119 . 119 ASP C0 OD2 0 8.455667 -28.675629 25.851145 1 4239 1 +ATOM N N . GLY C0 3 120 . 120 GLY C0 N 0 12.908626 -26.814938 24.645336 1 4240 1 +ATOM C CA . GLY C0 3 120 . 120 GLY C0 CA 0 13.925926 -27.391724 23.778286 1 4241 1 +ATOM C C . GLY C0 3 120 . 120 GLY C0 C 0 13.407634 -28.225647 22.626514 1 4242 1 +ATOM O O . GLY C0 3 120 . 120 GLY C0 O 0 14.179654 -28.59329 21.735643 1 4243 1 +ATOM N N . THR C0 3 121 . 121 THR C0 N 0 12.098335 -28.565075 22.620365 1 4244 1 +ATOM C CA . THR C0 3 121 . 121 THR C0 CA 0 11.552201 -29.315933 21.496468 1 4245 1 +ATOM C C . THR C0 3 121 . 121 THR C0 C 0 11.388758 -28.363543 20.31455 1 4246 1 +ATOM O O . THR C0 3 121 . 121 THR C0 O 0 11.321001 -27.139256 20.478857 1 4247 1 +ATOM C CB . THR C0 3 121 . 121 THR C0 CB 0 10.199965 -29.971142 21.855196 1 4248 1 +ATOM O OG1 . THR C0 3 121 . 121 THR C0 OG1 0 9.257128 -28.956627 22.22361 1 4249 1 +ATOM C CG2 . THR C0 3 121 . 121 THR C0 CG2 0 10.364719 -30.943562 23.012695 1 4250 1 +ATOM N N . ARG C0 3 122 . 122 ARG C0 N 0 11.30941 -28.959846 19.10449 1 4251 1 +ATOM C CA . ARG C0 3 122 . 122 ARG C0 CA 0 11.282497 -28.122673 17.911379 1 4252 1 +ATOM C C . ARG C0 3 122 . 122 ARG C0 C 0 10.2588215 -28.572811 16.87935 1 4253 1 +ATOM O O . ARG C0 3 122 . 122 ARG C0 O 0 9.93287 -29.769304 16.79237 1 4254 1 +ATOM C CB . ARG C0 3 122 . 122 ARG C0 CB 0 12.656673 -28.11562 17.230133 1 4255 1 +ATOM C CG . ARG C0 3 122 . 122 ARG C0 CG 0 13.807812 -27.656166 18.104458 1 4256 1 +ATOM C CD . ARG C0 3 122 . 122 ARG C0 CD 0 15.055967 -27.387842 17.275333 1 4257 1 +ATOM N NE . ARG C0 3 122 . 122 ARG C0 NE 0 15.459209 -28.518251 16.435097 1 4258 1 +ATOM C CZ . ARG C0 3 122 . 122 ARG C0 CZ 0 16.136185 -29.58562 16.87704 1 4259 1 +ATOM N NH1 . ARG C0 3 122 . 122 ARG C0 NH1 0 16.480364 -29.677023 18.154144 1 4260 1 +ATOM N NH2 . ARG C0 3 122 . 122 ARG C0 NH2 0 16.467213 -30.551952 16.030987 1 4261 1 +ATOM N N . LEU C0 3 123 . 123 LEU C0 N 0 9.778774 -27.615377 16.101595 1 4262 1 +ATOM C CA . LEU C0 3 123 . 123 LEU C0 CA 0 8.984404 -27.876392 14.913544 1 4263 1 +ATOM C C . LEU C0 3 123 . 123 LEU C0 C 0 9.822733 -27.369335 13.744468 1 4264 1 +ATOM O O . LEU C0 3 123 . 123 LEU C0 O 0 10.240001 -26.204437 13.736135 1 4265 1 +ATOM C CB . LEU C0 3 123 . 123 LEU C0 CB 0 7.6417246 -27.129824 14.948702 1 4266 1 +ATOM C CG . LEU C0 3 123 . 123 LEU C0 CG 0 6.547143 -27.734331 15.820877 1 4267 1 +ATOM C CD1 . LEU C0 3 123 . 123 LEU C0 CD1 0 5.399134 -26.735743 15.978859 1 4268 1 +ATOM C CD2 . LEU C0 3 123 . 123 LEU C0 CD2 0 6.0476747 -29.026255 15.180456 1 4269 1 +ATOM N N . GLU C0 3 124 . 124 GLU C0 N 0 10.096152 -28.250095 12.783394 1 4270 1 +ATOM C CA . GLU C0 3 124 . 124 GLU C0 CA 0 10.92453 -27.891449 11.643398 1 4271 1 +ATOM C C . GLU C0 3 124 . 124 GLU C0 C 0 10.137019 -28.036081 10.34716 1 4272 1 +ATOM O O . GLU C0 3 124 . 124 GLU C0 O 0 9.478191 -29.056171 10.129285 1 4273 1 +ATOM C CB . GLU C0 3 124 . 124 GLU C0 CB 0 12.1749735 -28.772503 11.582268 1 4274 1 +ATOM C CG . GLU C0 3 124 . 124 GLU C0 CG 0 13.051512 -28.655413 12.8228855 1 4275 1 +ATOM C CD . GLU C0 3 124 . 124 GLU C0 CD 0 14.280552 -29.55493 12.776209 1 4276 1 +ATOM O OE1 . GLU C0 3 124 . 124 GLU C0 OE1 0 15.064936 -29.5307 13.742892 1 4277 1 +ATOM O OE2 . GLU C0 3 124 . 124 GLU C0 OE2 0 14.459338 -30.281013 11.775263 1 4278 1 +ATOM N N . TYR C0 3 125 . 125 TYR C0 N 0 10.190154 -27.003736 9.5041485 1 4279 1 +ATOM C CA . TYR C0 3 125 . 125 TYR C0 CA 0 9.494852 -27.010723 8.232478 1 4280 1 +ATOM C C . TYR C0 3 125 . 125 TYR C0 C 0 10.492388 -26.783787 7.1016307 1 4281 1 +ATOM O O . TYR C0 3 125 . 125 TYR C0 O 0 11.329193 -25.874039 7.1886625 1 4282 1 +ATOM C CB . TYR C0 3 125 . 125 TYR C0 CB 0 8.41296 -25.924377 8.189371 1 4283 1 +ATOM C CG . TYR C0 3 125 . 125 TYR C0 CG 0 7.4305744 -26.01976 9.339964 1 4284 1 +ATOM C CD1 . TYR C0 3 125 . 125 TYR C0 CD1 0 7.49737 -25.138058 10.415211 1 4285 1 +ATOM C CD2 . TYR C0 3 125 . 125 TYR C0 CD2 0 6.439804 -26.99578 9.34598 1 4286 1 +ATOM C CE1 . TYR C0 3 125 . 125 TYR C0 CE1 0 6.595173 -25.221012 11.469262 1 4287 1 +ATOM C CE2 . TYR C0 3 125 . 125 TYR C0 CE2 0 5.5375133 -27.085619 10.394705 1 4288 1 +ATOM C CZ . TYR C0 3 125 . 125 TYR C0 CZ 0 5.6203184 -26.196466 11.450966 1 4289 1 +ATOM O OH . TYR C0 3 125 . 125 TYR C0 OH 0 4.7314024 -26.282757 12.493158 1 4290 1 +ATOM N N . THR C0 3 126 . 126 THR C0 N 0 10.406811 -27.596954 6.069318 1 4291 1 +ATOM C CA . THR C0 3 126 . 126 THR C0 CA 0 11.282494 -27.45494 4.9089212 1 4292 1 +ATOM C C . THR C0 3 126 . 126 THR C0 C 0 10.459412 -27.569004 3.627299 1 4293 1 +ATOM O O . THR C0 3 126 . 126 THR C0 O 0 9.333836 -28.074467 3.6371164 1 4294 1 +ATOM C CB . THR C0 3 126 . 126 THR C0 CB 0 12.394104 -28.523483 4.904953 1 4295 1 +ATOM O OG1 . THR C0 3 126 . 126 THR C0 OG1 0 11.7950115 -29.827785 4.944727 1 4296 1 +ATOM C CG2 . THR C0 3 126 . 126 THR C0 CG2 0 13.324699 -28.35942 6.0961823 1 4297 1 +ATOM N N . GLY C0 3 127 . 127 GLY C0 N 0 11.023962 -27.093084 2.5282366 1 4298 1 +ATOM C CA . GLY C0 3 127 . 127 GLY C0 CA 0 10.346585 -27.156147 1.2427635 1 4299 1 +ATOM C C . GLY C0 3 127 . 127 GLY C0 C 0 9.012751 -26.440266 1.2362027 1 4300 1 +ATOM O O . GLY C0 3 127 . 127 GLY C0 O 0 8.065929 -26.891956 0.5977882 1 4301 1 +ATOM N N . ILE C0 3 128 . 128 ILE C0 N 0 8.928294 -25.31279 1.951535 1 4302 1 +ATOM C CA . ILE C0 3 128 . 128 ILE C0 CA 0 7.6810236 -24.566118 2.0199637 1 4303 1 +ATOM C C . ILE C0 3 128 . 128 ILE C0 C 0 7.404831 -23.89837 0.67040384 1 4304 1 +ATOM O O . ILE C0 3 128 . 128 ILE C0 O 0 8.276211 -23.22354 0.112788066 1 4305 1 +ATOM C CB . ILE C0 3 128 . 128 ILE C0 CB 0 7.725702 -23.511456 3.142135 1 4306 1 +ATOM C CG1 . ILE C0 3 128 . 128 ILE C0 CG1 0 7.992687 -24.199356 4.4894085 1 4307 1 +ATOM C CG2 . ILE C0 3 128 . 128 ILE C0 CG2 0 6.406445 -22.73053 3.1850348 1 4308 1 +ATOM C CD1 . ILE C0 3 128 . 128 ILE C0 CD1 0 8.219711 -23.226196 5.6382732 1 4309 1 +ATOM N N . LYS C0 3 129 . 129 LYS C0 N 0 6.201094 -24.126328 0.16385916 1 4310 1 +ATOM C CA . LYS C0 3 129 . 129 LYS C0 CA 0 5.7922897 -23.55912 -1.1207283 1 4311 1 +ATOM C C . LYS C0 3 129 . 129 LYS C0 C 0 5.0732 -22.228903 -0.9245033 1 4312 1 +ATOM O O . LYS C0 3 129 . 129 LYS C0 O 0 4.788298 -21.80671 0.20541683 1 4313 1 +ATOM C CB . LYS C0 3 129 . 129 LYS C0 CB 0 4.8888607 -24.536863 -1.8653034 1 4314 1 +ATOM C CG . LYS C0 3 129 . 129 LYS C0 CG 0 5.4354196 -25.958138 -1.9510453 1 4315 1 +ATOM C CD . LYS C0 3 129 . 129 LYS C0 CD 0 6.798833 -25.999805 -2.6402078 1 4316 1 +ATOM C CE . LYS C0 3 129 . 129 LYS C0 CE 0 7.3410606 -27.416248 -2.6903906 1 4317 1 +ATOM N NZ . LYS C0 3 129 . 129 LYS C0 NZ 0 8.671614 -27.471498 -3.288779 1 4318 1 +ATOM N N . SER C0 3 130 . 130 SER C0 N 0 4.7584476 -21.542515 -2.0397592 1 4319 1 +ATOM C CA . SER C0 3 130 . 130 SER C0 CA 0 4.1232595 -20.231129 -1.9709569 1 4320 1 +ATOM C C . SER C0 3 130 . 130 SER C0 C 0 2.7590113 -20.266605 -1.2827065 1 4321 1 +ATOM O O . SER C0 3 130 . 130 SER C0 O 0 2.3332548 -19.260664 -0.7155115 1 4322 1 +ATOM C CB . SER C0 3 130 . 130 SER C0 CB 0 3.988043 -19.63851 -3.3815718 1 4323 1 +ATOM O OG . SER C0 3 130 . 130 SER C0 OG 0 3.1771367 -20.458176 -4.1952567 1 4324 1 +ATOM N N . ASP C0 3 131 . 131 ASP C0 N 0 2.0696945 -21.425404 -1.3271093 1 4325 1 +ATOM C CA . ASP C0 3 131 . 131 ASP C0 CA 0 0.7614662 -21.540401 -0.69488156 1 4326 1 +ATOM C C . ASP C0 3 131 . 131 ASP C0 C 0 0.86001647 -21.939522 0.77760696 1 4327 1 +ATOM O O . ASP C0 3 131 . 131 ASP C0 O 0 -0.16091341 -22.174118 1.4239497 1 4328 1 +ATOM C CB . ASP C0 3 131 . 131 ASP C0 CB 0 -0.13406679 -22.53019 -1.4519954 1 4329 1 +ATOM C CG . ASP C0 3 131 . 131 ASP C0 CG 0 0.40100768 -23.959545 -1.4283293 1 4330 1 +ATOM O OD1 . ASP C0 3 131 . 131 ASP C0 OD1 0 1.4585989 -24.208563 -0.81288105 1 4331 1 +ATOM O OD2 . ASP C0 3 131 . 131 ASP C0 OD2 0 -0.24933234 -24.834074 -2.030924 1 4332 1 +ATOM N N . GLY C0 3 132 . 132 GLY C0 N 0 2.069414 -22.018295 1.2981156 1 4333 1 +ATOM C CA . GLY C0 3 132 . 132 GLY C0 CA 0 2.2704496 -22.344368 2.6965754 1 4334 1 +ATOM C C . GLY C0 3 132 . 132 GLY C0 C 0 2.4058228 -23.816189 3.0104783 1 4335 1 +ATOM O O . GLY C0 3 132 . 132 GLY C0 O 0 2.5668585 -24.176178 4.179344 1 4336 1 +ATOM N N . SER C0 3 133 . 133 SER C0 N 0 2.3441844 -24.691767 2.0084205 1 4337 1 +ATOM C CA . SER C0 3 133 . 133 SER C0 CA 0 2.473481 -26.127464 2.2404895 1 4338 1 +ATOM C C . SER C0 3 133 . 133 SER C0 C 0 3.9466622 -26.53584 2.2303448 1 4339 1 +ATOM O O . SER C0 3 133 . 133 SER C0 O 0 4.7932673 -25.842505 1.6618962 1 4340 1 +ATOM C CB . SER C0 3 133 . 133 SER C0 CB 0 1.7023387 -26.91587 1.176719 1 4341 1 +ATOM O OG . SER C0 3 133 . 133 SER C0 OG 0 2.2635283 -26.739388 -0.10354684 1 4342 1 +ATOM N N . GLY C0 3 134 . 134 GLY C0 N 0 4.2131667 -27.66846 2.883761 1 4343 1 +ATOM C CA . GLY C0 3 134 . 134 GLY C0 CA 0 5.585438 -28.14687 2.937885 1 4344 1 +ATOM C C . GLY C0 3 134 . 134 GLY C0 C 0 5.703638 -29.374924 3.8113184 1 4345 1 +ATOM O O . GLY C0 3 134 . 134 GLY C0 O 0 4.6966534 -29.98711 4.19086 1 4346 1 +ATOM N N . LYS C0 3 135 . 135 LYS C0 N 0 6.939199 -29.768782 4.1223526 1 4347 1 +ATOM C CA . LYS C0 3 135 . 135 LYS C0 CA 0 7.2069964 -30.904442 4.987483 1 4348 1 +ATOM C C . LYS C0 3 135 . 135 LYS C0 C 0 7.3632994 -30.427528 6.42428 1 4349 1 +ATOM O O . LYS C0 3 135 . 135 LYS C0 O 0 7.8099627 -29.29149 6.6651983 1 4350 1 +ATOM C CB . LYS C0 3 135 . 135 LYS C0 CB 0 8.478914 -31.63554 4.540492 1 4351 1 +ATOM C CG . LYS C0 3 135 . 135 LYS C0 CG 0 8.36219 -32.247746 3.1528223 1 4352 1 +ATOM C CD . LYS C0 3 135 . 135 LYS C0 CD 0 9.600016 -33.064934 2.793488 1 4353 1 +ATOM C CE . LYS C0 3 135 . 135 LYS C0 CE 0 10.830197 -32.18518 2.6155825 1 4354 1 +ATOM N NZ . LYS C0 3 135 . 135 LYS C0 NZ 0 12.011909 -32.967373 2.183413 1 4355 1 +ATOM N N . ALA C0 3 136 . 136 ALA C0 N 0 6.9812775 -31.295454 7.373497 1 4356 1 +ATOM C CA . ALA C0 3 136 . 136 ALA C0 CA 0 7.053617 -30.927084 8.780169 1 4357 1 +ATOM C C . ALA C0 3 136 . 136 ALA C0 C 0 7.709489 -32.026928 9.60479 1 4358 1 +ATOM O O . ALA C0 3 136 . 136 ALA C0 O 0 7.566207 -33.209858 9.30471 1 4359 1 +ATOM C CB . ALA C0 3 136 . 136 ALA C0 CB 0 5.6621656 -30.626125 9.327742 1 4360 1 +ATOM N N . LYS C0 3 137 . 137 LYS C0 N 0 8.409686 -31.622505 10.645166 1 4361 1 +ATOM C CA . LYS C0 3 137 . 137 LYS C0 CA 0 9.054179 -32.548035 11.558104 1 4362 1 +ATOM C C . LYS C0 3 137 . 137 LYS C0 C 0 8.977434 -31.966354 12.958466 1 4363 1 +ATOM O O . LYS C0 3 137 . 137 LYS C0 O 0 9.278787 -30.783329 13.15684 1 4364 1 +ATOM C CB . LYS C0 3 137 . 137 LYS C0 CB 0 10.524449 -32.755814 11.157125 1 4365 1 +ATOM C CG . LYS C0 3 137 . 137 LYS C0 CG 0 11.305786 -33.64924 12.103381 1 4366 1 +ATOM C CD . LYS C0 3 137 . 137 LYS C0 CD 0 12.80111 -33.69314 11.739787 1 4367 1 +ATOM C CE . LYS C0 3 137 . 137 LYS C0 CE 0 13.0416565 -34.361893 10.395399 1 4368 1 +ATOM N NZ . LYS C0 3 137 . 137 LYS C0 NZ 0 14.49419 -34.489883 10.110041 1 4369 1 +ATOM N N . GLU C0 3 138 . 138 GLU C0 N 0 8.526981 -32.789585 13.92128 1 4370 1 +ATOM C CA . GLU C0 3 138 . 138 GLU C0 CA 0 8.515502 -32.341095 15.310007 1 4371 1 +ATOM C C . GLU C0 3 138 . 138 GLU C0 C 0 9.579674 -33.123062 16.068472 1 4372 1 +ATOM O O . GLU C0 3 138 . 138 GLU C0 O 0 9.498655 -34.349876 16.168793 1 4373 1 +ATOM C CB . GLU C0 3 138 . 138 GLU C0 CB 0 7.138982 -32.54171 15.954239 1 4374 1 +ATOM C CG . GLU C0 3 138 . 138 GLU C0 CG 0 7.0866528 -31.988644 17.383724 1 4375 1 +ATOM C CD . GLU C0 3 138 . 138 GLU C0 CD 0 5.725127 -32.061287 18.030037 1 4376 1 +ATOM O OE1 . GLU C0 3 138 . 138 GLU C0 OE1 0 5.0407724 -33.082024 17.870293 1 4377 1 +ATOM O OE2 . GLU C0 3 138 . 138 GLU C0 OE2 0 5.3268275 -31.087973 18.718601 1 4378 1 +ATOM N N . VAL C0 3 139 . 139 VAL C0 N 0 10.573473 -32.42491 16.548695 1 4379 1 +ATOM C CA . VAL C0 3 139 . 139 VAL C0 CA 0 11.660261 -33.040554 17.295315 1 4380 1 +ATOM C C . VAL C0 3 139 . 139 VAL C0 C 0 11.306083 -32.972206 18.775797 1 4381 1 +ATOM O O . VAL C0 3 139 . 139 VAL C0 O 0 11.37246 -31.904074 19.402832 1 4382 1 +ATOM C CB . VAL C0 3 139 . 139 VAL C0 CB 0 13.001736 -32.32795 17.024858 1 4383 1 +ATOM C CG1 . VAL C0 3 139 . 139 VAL C0 CG1 0 14.133626 -33.031296 17.75829 1 4384 1 +ATOM C CG2 . VAL C0 3 139 . 139 VAL C0 CG2 0 13.277769 -32.283356 15.519577 1 4385 1 +ATOM N N . LEU C0 3 140 . 140 LEU C0 N 0 10.891464 -34.11139 19.307505 1 4386 1 +ATOM C CA . LEU C0 3 140 . 140 LEU C0 CA 0 10.500303 -34.191948 20.707897 1 4387 1 +ATOM C C . LEU C0 3 140 . 140 LEU C0 C 0 11.676996 -34.691544 21.545578 1 4388 1 +ATOM O O . LEU C0 3 140 . 140 LEU C0 O 0 12.81678 -34.703194 21.080532 1 4389 1 +ATOM C CB . LEU C0 3 140 . 140 LEU C0 CB 0 9.282198 -35.113274 20.854815 1 4390 1 +ATOM C CG . LEU C0 3 140 . 140 LEU C0 CG 0 8.021156 -34.614906 20.154669 1 4391 1 +ATOM C CD1 . LEU C0 3 140 . 140 LEU C0 CD1 0 6.998516 -35.72818 19.99327 1 4392 1 +ATOM C CD2 . LEU C0 3 140 . 140 LEU C0 CD2 0 7.4303493 -33.439056 20.92775 1 4393 1 +ATOM N N . LYS C0 3 141 . 141 LYS C0 N 0 11.417289 -35.08797 22.755344 1 4394 1 +ATOM C CA . LYS C0 3 141 . 141 LYS C0 CA 0 12.494114 -35.53907 23.632973 1 4395 1 +ATOM C C . LYS C0 3 141 . 141 LYS C0 C 0 12.83692 -37.001686 23.346891 1 4396 1 +ATOM O O . LYS C0 3 141 . 141 LYS C0 O 0 12.164139 -37.914055 23.815948 1 4397 1 +ATOM C CB . LYS C0 3 141 . 141 LYS C0 CB 0 12.090303 -35.358128 25.097214 1 4398 1 +ATOM C CG . LYS C0 3 141 . 141 LYS C0 CG 0 11.83366 -33.910458 25.483156 1 4399 1 +ATOM C CD . LYS C0 3 141 . 141 LYS C0 CD 0 11.347292 -33.774147 26.90413 1 4400 1 +ATOM C CE . LYS C0 3 141 . 141 LYS C0 CE 0 11.167269 -32.31694 27.310093 1 4401 1 +ATOM N NZ . LYS C0 3 141 . 141 LYS C0 NZ 0 10.142744 -31.620188 26.50975 1 4402 1 +ATOM N N . GLY C0 3 142 . 142 GLY C0 N 0 13.849097 -37.202713 22.524296 1 4403 1 +ATOM C CA . GLY C0 3 142 . 142 GLY C0 CA 0 14.326115 -38.536156 22.219372 1 4404 1 +ATOM C C . GLY C0 3 142 . 142 GLY C0 C 0 13.773027 -39.177628 20.964882 1 4405 1 +ATOM O O . GLY C0 3 142 . 142 GLY C0 O 0 14.22976 -40.264668 20.586914 1 4406 1 +ATOM N N . TYR C0 3 143 . 143 TYR C0 N 0 12.803822 -38.56406 20.308002 1 4407 1 +ATOM C CA . TYR C0 3 143 . 143 TYR C0 CA 0 12.258451 -39.128086 19.076561 1 4408 1 +ATOM C C . TYR C0 3 143 . 143 TYR C0 C 0 11.651422 -38.03233 18.212769 1 4409 1 +ATOM O O . TYR C0 3 143 . 143 TYR C0 O 0 11.470274 -36.890175 18.661518 1 4410 1 +ATOM C CB . TYR C0 3 143 . 143 TYR C0 CB 0 11.222183 -40.22809 19.369045 1 4411 1 +ATOM C CG . TYR C0 3 143 . 143 TYR C0 CG 0 10.033482 -39.781475 20.198284 1 4412 1 +ATOM C CD1 . TYR C0 3 143 . 143 TYR C0 CD1 0 10.140041 -39.627373 21.575165 1 4413 1 +ATOM C CD2 . TYR C0 3 143 . 143 TYR C0 CD2 0 8.803684 -39.540794 19.60698 1 4414 1 +ATOM C CE1 . TYR C0 3 143 . 143 TYR C0 CE1 0 9.055893 -39.23092 22.339037 1 4415 1 +ATOM C CE2 . TYR C0 3 143 . 143 TYR C0 CE2 0 7.711461 -39.149338 20.365639 1 4416 1 +ATOM C CZ . TYR C0 3 143 . 143 TYR C0 CZ 0 7.843261 -38.998684 21.7299 1 4417 1 +ATOM O OH . TYR C0 3 143 . 143 TYR C0 OH 0 6.7747726 -38.60562 22.48154 1 4418 1 +ATOM N N . VAL C0 3 144 . 144 VAL C0 N 0 11.329125 -38.38878 16.976572 1 4419 1 +ATOM C CA . VAL C0 3 144 . 144 VAL C0 CA 0 10.855759 -37.427773 15.990228 1 4420 1 +ATOM C C . VAL C0 3 144 . 144 VAL C0 C 0 9.570209 -37.90873 15.3234215 1 4421 1 +ATOM O O . VAL C0 3 144 . 144 VAL C0 O 0 9.420302 -39.09536 15.023353 1 4422 1 +ATOM C CB . VAL C0 3 144 . 144 VAL C0 CB 0 11.935526 -37.184166 14.911341 1 4423 1 +ATOM C CG1 . VAL C0 3 144 . 144 VAL C0 CG1 0 11.417284 -36.268555 13.808685 1 4424 1 +ATOM C CG2 . VAL C0 3 144 . 144 VAL C0 CG2 0 13.198167 -36.607674 15.531998 1 4425 1 +ATOM N N . LEU C0 3 145 . 145 LEU C0 N 0 8.629348 -36.978256 15.122733 1 4426 1 +ATOM C CA . LEU C0 3 145 . 145 LEU C0 CA 0 7.414754 -37.25287 14.374388 1 4427 1 +ATOM C C . LEU C0 3 145 . 145 LEU C0 C 0 7.51101 -36.480637 13.06151 1 4428 1 +ATOM O O . LEU C0 3 145 . 145 LEU C0 O 0 7.9679937 -35.33033 13.047467 1 4429 1 +ATOM C CB . LEU C0 3 145 . 145 LEU C0 CB 0 6.1668787 -36.804733 15.137417 1 4430 1 +ATOM C CG . LEU C0 3 145 . 145 LEU C0 CG 0 5.952563 -37.3897 16.533966 1 4431 1 +ATOM C CD1 . LEU C0 3 145 . 145 LEU C0 CD1 0 4.6484327 -36.867683 17.120392 1 4432 1 +ATOM C CD2 . LEU C0 3 145 . 145 LEU C0 CD2 0 5.951058 -38.90308 16.500456 1 4433 1 +ATOM N N . GLU C0 3 146 . 146 GLU C0 N 0 7.0912466 -37.096886 11.971102 1 4434 1 +ATOM C CA . GLU C0 3 146 . 146 GLU C0 CA 0 7.1625743 -36.457787 10.663293 1 4435 1 +ATOM C C . GLU C0 3 146 . 146 GLU C0 C 0 5.781589 -36.35903 10.022749 1 4436 1 +ATOM O O . GLU C0 3 146 . 146 GLU C0 O 0 4.897272 -37.162415 10.30542 1 4437 1 +ATOM C CB . GLU C0 3 146 . 146 GLU C0 CB 0 8.115112 -37.220715 9.744093 1 4438 1 +ATOM C CG . GLU C0 3 146 . 146 GLU C0 CG 0 9.55003 -37.2012 10.216516 1 4439 1 +ATOM C CD . GLU C0 3 146 . 146 GLU C0 CD 0 10.509394 -37.81832 9.213666 1 4440 1 +ATOM O OE1 . GLU C0 3 146 . 146 GLU C0 OE1 0 11.233014 -37.07377 8.537435 1 4441 1 +ATOM O OE2 . GLU C0 3 146 . 146 GLU C0 OE2 0 10.526833 -39.057816 9.11737 1 4442 1 +ATOM N N . GLY C0 3 147 . 147 GLY C0 N 0 5.626732 -35.337524 9.164465 1 4443 1 +ATOM C CA . GLY C0 3 147 . 147 GLY C0 CA 0 4.343398 -35.145878 8.51607 1 4444 1 +ATOM C C . GLY C0 3 147 . 147 GLY C0 C 0 4.376546 -34.023407 7.50439 1 4445 1 +ATOM O O . GLY C0 3 147 . 147 GLY C0 O 0 5.380229 -33.83078 6.8201284 1 4446 1 +ATOM N N . THR C0 3 148 . 148 THR C0 N 0 3.267458 -33.304077 7.420561 1 4447 1 +ATOM C CA . THR C0 3 148 . 148 THR C0 CA 0 3.1528559 -32.249138 6.425639 1 4448 1 +ATOM C C . THR C0 3 148 . 148 THR C0 C 0 2.6080463 -30.95544 7.0239773 1 4449 1 +ATOM O O . THR C0 3 148 . 148 THR C0 O 0 1.9609995 -30.959679 8.074602 1 4450 1 +ATOM C CB . THR C0 3 148 . 148 THR C0 CB 0 2.233447 -32.669987 5.2625957 1 4451 1 +ATOM O OG1 . THR C0 3 148 . 148 THR C0 OG1 0 0.9340836 -32.975174 5.7860126 1 4452 1 +ATOM C CG2 . THR C0 3 148 . 148 THR C0 CG2 0 2.783431 -33.89473 4.5412245 1 4453 1 +ATOM N N . LEU C0 3 149 . 149 LEU C0 N 0 2.8952718 -29.860909 6.3375945 1 4454 1 +ATOM C CA . LEU C0 3 149 . 149 LEU C0 CA 0 2.387248 -28.545937 6.6793623 1 4455 1 +ATOM C C . LEU C0 3 149 . 149 LEU C0 C 0 1.4048054 -28.117336 5.5978317 1 4456 1 +ATOM O O . LEU C0 3 149 . 149 LEU C0 O 0 1.6933384 -28.265253 4.408518 1 4457 1 +ATOM C CB . LEU C0 3 149 . 149 LEU C0 CB 0 3.534245 -27.532625 6.767831 1 4458 1 +ATOM C CG . LEU C0 3 149 . 149 LEU C0 CG 0 3.1497843 -26.05363 6.87893 1 4459 1 +ATOM C CD1 . LEU C0 3 149 . 149 LEU C0 CD1 0 4.3818617 -25.18388 6.65345 1 4460 1 +ATOM C CD2 . LEU C0 3 149 . 149 LEU C0 CD2 0 2.513469 -25.767265 8.235179 1 4461 1 +ATOM N N . THR C0 3 150 . 150 THR C0 N 0 0.23132169 -27.64944 6.0000105 1 4462 1 +ATOM C CA . THR C0 3 150 . 150 THR C0 CA 0 -0.72511387 -27.057407 5.0754128 1 4463 1 +ATOM C C . THR C0 3 150 . 150 THR C0 C 0 -0.9232008 -25.61195 5.505047 1 4464 1 +ATOM O O . THR C0 3 150 . 150 THR C0 O 0 -0.32336184 -25.149128 6.477708 1 4465 1 +ATOM C CB . THR C0 3 150 . 150 THR C0 CB 0 -2.0834024 -27.794739 5.0946302 1 4466 1 +ATOM O OG1 . THR C0 3 150 . 150 THR C0 OG1 0 -2.7152758 -27.586754 6.351508 1 4467 1 +ATOM C CG2 . THR C0 3 150 . 150 THR C0 CG2 0 -1.8961315 -29.286177 4.8536053 1 4468 1 +ATOM N N . ALA C0 3 151 . 151 ALA C0 N 0 -1.7580194 -24.88219 4.7647614 1 4469 1 +ATOM C CA . ALA C0 3 151 . 151 ALA C0 CA 0 -1.9955468 -23.484627 5.092273 1 4470 1 +ATOM C C . ALA C0 3 151 . 151 ALA C0 C 0 -2.6311846 -23.311348 6.465781 1 4471 1 +ATOM O O . ALA C0 3 151 . 151 ALA C0 O 0 -2.4826999 -22.256859 7.0878305 1 4472 1 +ATOM C CB . ALA C0 3 151 . 151 ALA C0 CB 0 -2.882555 -22.844707 4.017249 1 4473 1 +ATOM N N . GLU C0 3 152 . 152 GLU C0 N 0 -3.3293395 -24.349388 6.939369 1 4474 1 +ATOM C CA . GLU C0 3 152 . 152 GLU C0 CA 0 -4.0571404 -24.252993 8.202419 1 4475 1 +ATOM C C . GLU C0 3 152 . 152 GLU C0 C 0 -3.406877 -24.96696 9.384892 1 4476 1 +ATOM O O . GLU C0 3 152 . 152 GLU C0 O 0 -3.6079674 -24.552338 10.526894 1 4477 1 +ATOM C CB . GLU C0 3 152 . 152 GLU C0 CB 0 -5.4794993 -24.784805 8.042436 1 4478 1 +ATOM C CG . GLU C0 3 152 . 152 GLU C0 CG 0 -6.3859143 -23.88235 7.224498 1 4479 1 +ATOM C CD . GLU C0 3 152 . 152 GLU C0 CD 0 -7.8362994 -24.29515 7.3053102 1 4480 1 +ATOM O OE1 . GLU C0 3 152 . 152 GLU C0 OE1 0 -8.705652 -23.533966 6.849381 1 4481 1 +ATOM O OE2 . GLU C0 3 152 . 152 GLU C0 OE2 0 -8.129297 -25.387547 7.8355803 1 4482 1 +ATOM N N . LYS C0 3 153 . 153 LYS C0 N 0 -2.6614199 -26.035831 9.115761 1 4483 1 +ATOM C CA . LYS C0 3 153 . 153 LYS C0 CA 0 -2.1340156 -26.791145 10.247842 1 4484 1 +ATOM C C . LYS C0 3 153 . 153 LYS C0 C 0 -0.9522667 -27.676153 9.878679 1 4485 1 +ATOM O O . LYS C0 3 153 . 153 LYS C0 O 0 -0.6707525 -27.91695 8.705132 1 4486 1 +ATOM C CB . LYS C0 3 153 . 153 LYS C0 CB 0 -3.2335014 -27.66748 10.841099 1 4487 1 +ATOM C CG . LYS C0 3 153 . 153 LYS C0 CG 0 -3.7478487 -28.738539 9.896074 1 4488 1 +ATOM C CD . LYS C0 3 153 . 153 LYS C0 CD 0 -4.852089 -29.554153 10.535097 1 4489 1 +ATOM C CE . LYS C0 3 153 . 153 LYS C0 CE 0 -5.3890247 -30.57906 9.548433 1 4490 1 +ATOM N NZ . LYS C0 3 153 . 153 LYS C0 NZ 0 -6.4724364 -31.38132 10.138741 1 4491 1 +ATOM N N . THR C0 3 154 . 154 THR C0 N 0 -0.30264407 -28.144405 10.936139 1 4492 1 +ATOM C CA . THR C0 3 154 . 154 THR C0 CA 0 0.76326627 -29.124092 10.816911 1 4493 1 +ATOM C C . THR C0 3 154 . 154 THR C0 C 0 0.14859849 -30.469181 11.190437 1 4494 1 +ATOM O O . THR C0 3 154 . 154 THR C0 O 0 -0.5396781 -30.572906 12.205297 1 4495 1 +ATOM C CB . THR C0 3 154 . 154 THR C0 CB 0 1.9257636 -28.808697 11.783411 1 4496 1 +ATOM O OG1 . THR C0 3 154 . 154 THR C0 OG1 0 2.4890606 -27.542603 11.458857 1 4497 1 +ATOM C CG2 . THR C0 3 154 . 154 THR C0 CG2 0 3.0023785 -29.884537 11.718588 1 4498 1 +ATOM N N . THR C0 3 155 . 155 THR C0 N 0 0.3530587 -31.496944 10.358011 1 4499 1 +ATOM C CA . THR C0 3 155 . 155 THR C0 CA 0 -0.16790015 -32.82563 10.647184 1 4500 1 +ATOM C C . THR C0 3 155 . 155 THR C0 C 0 1.0103617 -33.79484 10.728899 1 4501 1 +ATOM O O . THR C0 3 155 . 155 THR C0 O 0 1.7377822 -33.978573 9.754084 1 4502 1 +ATOM C CB . THR C0 3 155 . 155 THR C0 CB 0 -1.1563433 -33.295128 9.566246 1 4503 1 +ATOM O OG1 . THR C0 3 155 . 155 THR C0 OG1 0 -2.2588387 -32.387695 9.515772 1 4504 1 +ATOM C CG2 . THR C0 3 155 . 155 THR C0 CG2 0 -1.6739697 -34.698418 9.878963 1 4505 1 +ATOM N N . LEU C0 3 156 . 156 LEU C0 N 0 1.1900289 -34.411556 11.907822 1 4506 1 +ATOM C CA . LEU C0 3 156 . 156 LEU C0 CA 0 2.2717738 -35.358837 12.144052 1 4507 1 +ATOM C C . LEU C0 3 156 . 156 LEU C0 C 0 1.6627609 -36.74498 12.306106 1 4508 1 +ATOM O O . LEU C0 3 156 . 156 LEU C0 O 0 0.70434254 -36.90823 13.061664 1 4509 1 +ATOM C CB . LEU C0 3 156 . 156 LEU C0 CB 0 3.0623786 -34.952614 13.392867 1 4510 1 +ATOM C CG . LEU C0 3 156 . 156 LEU C0 CG 0 3.6254303 -33.53036 13.318063 1 4511 1 +ATOM C CD1 . LEU C0 3 156 . 156 LEU C0 CD1 0 3.7906373 -32.93048 14.6975155 1 4512 1 +ATOM C CD2 . LEU C0 3 156 . 156 LEU C0 CD2 0 4.9271383 -33.51487 12.5415945 1 4513 1 +ATOM N N . VAL C0 3 157 . 157 VAL C0 N 0 2.2093115 -37.739433 11.598206 1 4514 1 +ATOM C CA . VAL C0 3 157 . 157 VAL C0 CA 0 1.5891198 -39.062733 11.601896 1 4515 1 +ATOM C C . VAL C0 3 157 . 157 VAL C0 C 0 2.5305045 -40.16861 12.092949 1 4516 1 +ATOM O O . VAL C0 3 157 . 157 VAL C0 O 0 3.7388494 -40.10848 11.893446 1 4517 1 +ATOM C CB . VAL C0 3 157 . 157 VAL C0 CB 0 1.0646967 -39.4407 10.196945 1 4518 1 +ATOM C CG1 . VAL C0 3 157 . 157 VAL C0 CG1 0 2.2083817 -39.5375 9.200805 1 4519 1 +ATOM C CG2 . VAL C0 3 157 . 157 VAL C0 CG2 0 0.027696393 -38.43718 9.719795 1 4520 1 +ATOM N N . VAL C0 3 158 . 158 VAL C0 N 0 1.9260304 -41.156754 12.742124 1 4521 1 +ATOM C CA . VAL C0 3 158 . 158 VAL C0 CA 0 2.6221535 -42.36371 13.167782 1 4522 1 +ATOM C C . VAL C0 3 158 . 158 VAL C0 C 0 1.7807629 -43.529636 12.665423 1 4523 1 +ATOM O O . VAL C0 3 158 . 158 VAL C0 O 0 0.5789751 -43.599197 12.963045 1 4524 1 +ATOM C CB . VAL C0 3 158 . 158 VAL C0 CB 0 2.764398 -42.445545 14.698257 1 4525 1 +ATOM C CG1 . VAL C0 3 158 . 158 VAL C0 CG1 0 3.4955602 -43.725834 15.084557 1 4526 1 +ATOM C CG2 . VAL C0 3 158 . 158 VAL C0 CG2 0 3.499985 -41.22664 15.235407 1 4527 1 +ATOM N N . LYS C0 3 159 . 159 LYS C0 N 0 2.38584 -44.418484 11.903782 1 4528 1 +ATOM C CA . LYS C0 3 159 . 159 LYS C0 CA 0 1.6703904 -45.558792 11.346297 1 4529 1 +ATOM C C . LYS C0 3 159 . 159 LYS C0 C 0 2.1325002 -46.86891 11.991295 1 4530 1 +ATOM O O . LYS C0 3 159 . 159 LYS C0 O 0 3.3275812 -47.08729 12.167496 1 4531 1 +ATOM C CB . LYS C0 3 159 . 159 LYS C0 CB 0 1.8727143 -45.64128 9.82428 1 4532 1 +ATOM C CG . LYS C0 3 159 . 159 LYS C0 CG 0 1.3183208 -44.447464 9.075113 1 4533 1 +ATOM C CD . LYS C0 3 159 . 159 LYS C0 CD 0 1.5513704 -44.60829 7.5735006 1 4534 1 +ATOM C CE . LYS C0 3 159 . 159 LYS C0 CE 0 1.0123913 -43.402023 6.8198376 1 4535 1 +ATOM N NZ . LYS C0 3 159 . 159 LYS C0 NZ 0 1.253783 -43.523655 5.364179 1 4536 1 +ATOM N N . GLU C0 3 160 . 160 GLU C0 N 0 1.1678833 -47.721542 12.338844 1 4537 1 +ATOM C CA . GLU C0 3 160 . 160 GLU C0 CA 0 1.4448111 -49.044228 12.893927 1 4538 1 +ATOM C C . GLU C0 3 160 . 160 GLU C0 C 0 0.37998843 -49.9955 12.368653 1 4539 1 +ATOM O O . GLU C0 3 160 . 160 GLU C0 O 0 -0.7694709 -49.9339 12.790779 1 4540 1 +ATOM C CB . GLU C0 3 160 . 160 GLU C0 CB 0 1.4363388 -49.005524 14.421276 1 4541 1 +ATOM C CG . GLU C0 3 160 . 160 GLU C0 CG 0 1.6192571 -50.37894 15.071918 1 4542 1 +ATOM C CD . GLU C0 3 160 . 160 GLU C0 CD 0 2.9150577 -51.068726 14.713302 1 4543 1 +ATOM O OE1 . GLU C0 3 160 . 160 GLU C0 OE1 0 3.927691 -50.385246 14.445079 1 4544 1 +ATOM O OE2 . GLU C0 3 160 . 160 GLU C0 OE2 0 2.9366405 -52.30844 14.693642 1 4545 1 +ATOM N N . GLY C0 3 161 . 161 GLY C0 N 0 0.7827226 -50.852066 11.432276 1 4546 1 +ATOM C CA . GLY C0 3 161 . 161 GLY C0 CA 0 -0.17176896 -51.76687 10.831545 1 4547 1 +ATOM C C . GLY C0 3 161 . 161 GLY C0 C 0 -1.2524079 -51.013718 10.087436 1 4548 1 +ATOM O O . GLY C0 3 161 . 161 GLY C0 O 0 -0.96874535 -50.19189 9.216286 1 4549 1 +ATOM N N . THR C0 3 162 . 162 THR C0 N 0 -2.5157928 -51.268845 10.465996 1 4550 1 +ATOM C CA . THR C0 3 162 . 162 THR C0 CA 0 -3.6406841 -50.59866 9.836798 1 4551 1 +ATOM C C . THR C0 3 162 . 162 THR C0 C 0 -4.0120926 -49.28621 10.535387 1 4552 1 +ATOM O O . THR C0 3 162 . 162 THR C0 O 0 -4.94341 -48.59674 10.10043 1 4553 1 +ATOM C CB . THR C0 3 162 . 162 THR C0 CB 0 -4.88414 -51.509705 9.8383465 1 4554 1 +ATOM O OG1 . THR C0 3 162 . 162 THR C0 OG1 0 -5.2247653 -51.837486 11.192864 1 4555 1 +ATOM C CG2 . THR C0 3 162 . 162 THR C0 CG2 0 -4.62978 -52.81318 9.073415 1 4556 1 +ATOM N N . VAL C0 3 163 . 163 VAL C0 N 0 -3.2852597 -48.960484 11.598433 1 4557 1 +ATOM C CA . VAL C0 3 163 . 163 VAL C0 CA 0 -3.6081817 -47.786655 12.405135 1 4558 1 +ATOM C C . VAL C0 3 163 . 163 VAL C0 C 0 -2.725862 -46.587395 12.046474 1 4559 1 +ATOM O O . VAL C0 3 163 . 163 VAL C0 O 0 -1.5110527 -46.716953 11.910302 1 4560 1 +ATOM C CB . VAL C0 3 163 . 163 VAL C0 CB 0 -3.476296 -48.0973 13.911548 1 4561 1 +ATOM C CG1 . VAL C0 3 163 . 163 VAL C0 CG1 0 -3.8291242 -46.87729 14.745947 1 4562 1 +ATOM C CG2 . VAL C0 3 163 . 163 VAL C0 CG2 0 -4.3521166 -49.27806 14.299255 1 4563 1 +ATOM N N . THR C0 3 164 . 164 THR C0 N 0 -3.3590117 -45.41359 11.899068 1 4564 1 +ATOM C CA . THR C0 3 164 . 164 THR C0 CA 0 -2.6380875 -44.16855 11.664768 1 4565 1 +ATOM C C . THR C0 3 164 . 164 THR C0 C 0 -3.0707345 -43.157127 12.7228565 1 4566 1 +ATOM O O . THR C0 3 164 . 164 THR C0 O 0 -4.264006 -42.841347 12.83034 1 4567 1 +ATOM C CB . THR C0 3 164 . 164 THR C0 CB 0 -2.9249363 -43.59704 10.263985 1 4568 1 +ATOM O OG1 . THR C0 3 164 . 164 THR C0 OG1 0 -2.478231 -44.52393 9.271474 1 4569 1 +ATOM C CG2 . THR C0 3 164 . 164 THR C0 CG2 0 -2.2065115 -42.27365 10.063585 1 4570 1 +ATOM N N . LEU C0 3 165 . 165 LEU C0 N 0 -2.103608 -42.680984 13.512083 1 4571 1 +ATOM C CA . LEU C0 3 165 . 165 LEU C0 CA 0 -2.36299 -41.635487 14.493948 1 4572 1 +ATOM C C . LEU C0 3 165 . 165 LEU C0 C 0 -1.9296249 -40.310295 13.88497 1 4573 1 +ATOM O O . LEU C0 3 165 . 165 LEU C0 O 0 -0.82049596 -40.20435 13.347162 1 4574 1 +ATOM C CB . LEU C0 3 165 . 165 LEU C0 CB 0 -1.5953021 -41.912243 15.787881 1 4575 1 +ATOM C CG . LEU C0 3 165 . 165 LEU C0 CG 0 -1.7710512 -40.918182 16.929829 1 4576 1 +ATOM C CD1 . LEU C0 3 165 . 165 LEU C0 CD1 0 -1.7894245 -41.637505 18.276348 1 4577 1 +ATOM C CD2 . LEU C0 3 165 . 165 LEU C0 CD2 0 -0.68182683 -39.84661 16.900265 1 4578 1 +ATOM N N . SER C0 3 166 . 166 SER C0 N 0 -2.8036737 -39.306854 13.935899 1 4579 1 +ATOM C CA . SER C0 3 166 . 166 SER C0 CA 0 -2.5055485 -37.99311 13.3783455 1 4580 1 +ATOM C C . SER C0 3 166 . 166 SER C0 C 0 -2.5395947 -36.942276 14.47821 1 4581 1 +ATOM O O . SER C0 3 166 . 166 SER C0 O 0 -3.5692353 -36.754143 15.132488 1 4582 1 +ATOM C CB . SER C0 3 166 . 166 SER C0 CB 0 -3.509664 -37.632217 12.28294 1 4583 1 +ATOM O OG . SER C0 3 166 . 166 SER C0 OG 0 -3.476752 -38.582764 11.228561 1 4584 1 +ATOM N N . LYS C0 3 167 . 167 LYS C0 N 0 -1.415456 -36.267067 14.677539 1 4585 1 +ATOM C CA . LYS C0 3 167 . 167 LYS C0 CA 0 -1.3274326 -35.16971 15.638412 1 4586 1 +ATOM C C . LYS C0 3 167 . 167 LYS C0 C 0 -1.3743751 -33.865944 14.855831 1 4587 1 +ATOM O O . LYS C0 3 167 . 167 LYS C0 O 0 -0.5283246 -33.627792 13.98346 1 4588 1 +ATOM C CB . LYS C0 3 167 . 167 LYS C0 CB 0 -0.029453898 -35.25676 16.447613 1 4589 1 +ATOM C CG . LYS C0 3 167 . 167 LYS C0 CG 0 0.16248989 -34.108368 17.422333 1 4590 1 +ATOM C CD . LYS C0 3 167 . 167 LYS C0 CD 0 1.4861412 -34.246048 18.163536 1 4591 1 +ATOM C CE . LYS C0 3 167 . 167 LYS C0 CE 0 1.7022892 -33.062424 19.106653 1 4592 1 +ATOM N NZ . LYS C0 3 167 . 167 LYS C0 NZ 0 2.9756155 -33.180107 19.813732 1 4593 1 +ATOM N N . ASN C0 3 168 . 168 ASN C0 N 0 -2.3712568 -33.04534 15.140213 1 4594 1 +ATOM C CA . ASN C0 3 168 . 168 ASN C0 CA 0 -2.5529504 -31.778214 14.442816 1 4595 1 +ATOM C C . ASN C0 3 168 . 168 ASN C0 C 0 -2.1871462 -30.59905 15.3307495 1 4596 1 +ATOM O O . ASN C0 3 168 . 168 ASN C0 O 0 -2.6146336 -30.524464 16.484062 1 4597 1 +ATOM C CB . ASN C0 3 168 . 168 ASN C0 CB 0 -4.0023775 -31.632215 13.97148 1 4598 1 +ATOM C CG . ASN C0 3 168 . 168 ASN C0 CG 0 -4.4128017 -32.737404 13.022274 1 4599 1 +ATOM O OD1 . ASN C0 3 168 . 168 ASN C0 OD1 0 -3.6843872 -33.059334 12.078308 1 4600 1 +ATOM N ND2 . ASN C0 3 168 . 168 ASN C0 ND2 0 -5.5688 -33.333195 13.24346 1 4601 1 +ATOM N N . ILE C0 3 169 . 169 ILE C0 N 0 -1.3684306 -29.686543 14.800593 1 4602 1 +ATOM C CA . ILE C0 3 169 . 169 ILE C0 CA 0 -0.9941629 -28.463852 15.502242 1 4603 1 +ATOM C C . ILE C0 3 169 . 169 ILE C0 C 0 -1.484776 -27.299204 14.646389 1 4604 1 +ATOM O O . ILE C0 3 169 . 169 ILE C0 O 0 -0.9865573 -27.084616 13.5388 1 4605 1 +ATOM C CB . ILE C0 3 169 . 169 ILE C0 CB 0 0.52838314 -28.366772 15.716185 1 4606 1 +ATOM C CG1 . ILE C0 3 169 . 169 ILE C0 CG1 0 1.0362302 -29.61672 16.446056 1 4607 1 +ATOM C CG2 . ILE C0 3 169 . 169 ILE C0 CG2 0 0.873511 -27.108337 16.510822 1 4608 1 +ATOM C CD1 . ILE C0 3 169 . 169 ILE C0 CD1 0 2.5455165 -29.686428 16.56935 1 4609 1 +ATOM N N . SER C0 3 170 . 170 SER C0 N 0 -2.4831078 -26.567822 15.142122 1 4610 1 +ATOM C CA . SER C0 3 170 . 170 SER C0 CA 0 -3.0517702 -25.456806 14.397325 1 4611 1 +ATOM C C . SER C0 3 170 . 170 SER C0 C 0 -2.098487 -24.268543 14.369208 1 4612 1 +ATOM O O . SER C0 3 170 . 170 SER C0 O 0 -1.0900184 -24.241842 15.073357 1 4613 1 +ATOM C CB . SER C0 3 170 . 170 SER C0 CB 0 -4.3910284 -25.035301 15.008995 1 4614 1 +ATOM O OG . SER C0 3 170 . 170 SER C0 OG 0 -4.1839285 -24.401615 16.255184 1 4615 1 +ATOM N N . LYS C0 3 171 . 171 LYS C0 N 0 -2.4244323 -23.26147 13.544999 1 4616 1 +ATOM C CA . LYS C0 3 171 . 171 LYS C0 CA 0 -1.5976233 -22.070648 13.454306 1 4617 1 +ATOM C C . LYS C0 3 171 . 171 LYS C0 C 0 -1.5344691 -21.33379 14.787656 1 4618 1 +ATOM O O . LYS C0 3 171 . 171 LYS C0 O 0 -0.5557005 -20.631775 15.060722 1 4619 1 +ATOM C CB . LYS C0 3 171 . 171 LYS C0 CB 0 -2.137782 -21.128986 12.361634 1 4620 1 +ATOM C CG . LYS C0 3 171 . 171 LYS C0 CG 0 -1.9932128 -21.696148 10.956359 1 4621 1 +ATOM C CD . LYS C0 3 171 . 171 LYS C0 CD 0 -2.5929728 -20.76212 9.910675 1 4622 1 +ATOM C CE . LYS C0 3 171 . 171 LYS C0 CE 0 -1.7913854 -19.479164 9.782837 1 4623 1 +ATOM N NZ . LYS C0 3 171 . 171 LYS C0 NZ 0 -2.301052 -18.611359 8.705612 1 4624 1 +ATOM N N . SER C0 3 172 . 172 SER C0 N 0 -2.5646634 -21.501667 15.620287 1 4625 1 +ATOM C CA . SER C0 3 172 . 172 SER C0 CA 0 -2.598788 -20.874186 16.940504 1 4626 1 +ATOM C C . SER C0 3 172 . 172 SER C0 C 0 -1.8929032 -21.712177 18.001808 1 4627 1 +ATOM O O . SER C0 3 172 . 172 SER C0 O 0 -1.8105357 -21.295134 19.164454 1 4628 1 +ATOM C CB . SER C0 3 172 . 172 SER C0 CB 0 -4.042854 -20.609516 17.370693 1 4629 1 +ATOM O OG . SER C0 3 172 . 172 SER C0 OG 0 -4.7642274 -21.81539 17.506462 1 4630 1 +ATOM N N . GLY C0 3 173 . 173 GLY C0 N 0 -1.3841147 -22.880726 17.619549 1 4631 1 +ATOM C CA . GLY C0 3 173 . 173 GLY C0 CA 0 -0.66985995 -23.7399 18.548014 1 4632 1 +ATOM C C . GLY C0 3 173 . 173 GLY C0 C 0 -1.5166157 -24.778618 19.241493 1 4633 1 +ATOM O O . GLY C0 3 173 . 173 GLY C0 O 0 -0.9967733 -25.544239 20.055407 1 4634 1 +ATOM N N . GLU C0 3 174 . 174 GLU C0 N 0 -2.825643 -24.845663 18.937428 1 4635 1 +ATOM C CA . GLU C0 3 174 . 174 GLU C0 CA 0 -3.7090209 -25.822527 19.56258 1 4636 1 +ATOM C C . GLU C0 3 174 . 174 GLU C0 C 0 -3.4285102 -27.219105 19.014734 1 4637 1 +ATOM O O . GLU C0 3 174 . 174 GLU C0 O 0 -3.2651567 -27.396908 17.80557 1 4638 1 +ATOM C CB . GLU C0 3 174 . 174 GLU C0 CB 0 -5.1728983 -25.463345 19.317713 1 4639 1 +ATOM C CG . GLU C0 3 174 . 174 GLU C0 CG 0 -5.643364 -24.223915 20.084316 1 4640 1 +ATOM C CD . GLU C0 3 174 . 174 GLU C0 CD 0 -5.628852 -24.43584 21.576294 1 4641 1 +ATOM O OE1 . GLU C0 3 174 . 174 GLU C0 OE1 0 -5.2169194 -23.501163 22.292604 1 4642 1 +ATOM O OE2 . GLU C0 3 174 . 174 GLU C0 OE2 0 -6.0171585 -25.518227 22.043922 1 4643 1 +ATOM N N . VAL C0 3 175 . 175 VAL C0 N 0 -3.3713734 -28.203976 19.918285 1 4644 1 +ATOM C CA . VAL C0 3 175 . 175 VAL C0 CA 0 -3.0817304 -29.584152 19.541859 1 4645 1 +ATOM C C . VAL C0 3 175 . 175 VAL C0 C 0 -4.3506775 -30.430908 19.603765 1 4646 1 +ATOM O O . VAL C0 3 175 . 175 VAL C0 O 0 -5.1463118 -30.303074 20.53086 1 4647 1 +ATOM C CB . VAL C0 3 175 . 175 VAL C0 CB 0 -2.0010188 -30.195955 20.456753 1 4648 1 +ATOM C CG1 . VAL C0 3 175 . 175 VAL C0 CG1 0 -1.8065441 -31.680439 20.144058 1 4649 1 +ATOM C CG2 . VAL C0 3 175 . 175 VAL C0 CG2 0 -0.69010055 -29.44331 20.309624 1 4650 1 +ATOM N N . SER C0 3 176 . 176 SER C0 N 0 -4.539898 -31.275639 18.604982 1 4651 1 +ATOM C CA . SER C0 3 176 . 176 SER C0 CA 0 -5.62232 -32.252266 18.601194 1 4652 1 +ATOM C C . SER C0 3 176 . 176 SER C0 C 0 -5.0678186 -33.5361 18.000526 1 4653 1 +ATOM O O . SER C0 3 176 . 176 SER C0 O 0 -4.1441755 -33.50009 17.182442 1 4654 1 +ATOM C CB . SER C0 3 176 . 176 SER C0 CB 0 -6.8339953 -31.764791 17.802994 1 4655 1 +ATOM O OG . SER C0 3 176 . 176 SER C0 OG 0 -6.515459 -31.627045 16.439564 1 4656 1 +ATOM N N . VAL C0 3 177 . 177 VAL C0 N 0 -5.590495 -34.664474 18.441189 1 4657 1 +ATOM C CA . VAL C0 3 177 . 177 VAL C0 CA 0 -5.096477 -35.949017 17.95967 1 4658 1 +ATOM C C . VAL C0 3 177 . 177 VAL C0 C 0 -6.270907 -36.816326 17.518372 1 4659 1 +ATOM O O . VAL C0 3 177 . 177 VAL C0 O 0 -7.3074145 -36.8583 18.185661 1 4660 1 +ATOM C CB . VAL C0 3 177 . 177 VAL C0 CB 0 -4.283203 -36.68758 19.047047 1 4661 1 +ATOM C CG1 . VAL C0 3 177 . 177 VAL C0 CG1 0 -3.6871257 -37.976532 18.495525 1 4662 1 +ATOM C CG2 . VAL C0 3 177 . 177 VAL C0 CG2 0 -3.1802053 -35.78811 19.591728 1 4663 1 +ATOM N N . GLU C0 3 178 . 178 GLU C0 N 0 -6.117032 -37.488663 16.398716 1 4664 1 +ATOM C CA . GLU C0 3 178 . 178 GLU C0 CA 0 -7.146624 -38.382114 15.897988 1 4665 1 +ATOM C C . GLU C0 3 178 . 178 GLU C0 C 0 -6.498501 -39.685585 15.453342 1 4666 1 +ATOM O O . GLU C0 3 178 . 178 GLU C0 O 0 -5.2988 -39.745537 15.190731 1 4667 1 +ATOM C CB . GLU C0 3 178 . 178 GLU C0 CB 0 -7.935419 -37.753 14.743902 1 4668 1 +ATOM C CG . GLU C0 3 178 . 178 GLU C0 CG 0 -7.090722 -37.31963 13.56667 1 4669 1 +ATOM C CD . GLU C0 3 178 . 178 GLU C0 CD 0 -7.872806 -36.487587 12.570969 1 4670 1 +ATOM O OE1 . GLU C0 3 178 . 178 GLU C0 OE1 0 -9.0898485 -36.27545 12.773096 1 4671 1 +ATOM O OE2 . GLU C0 3 178 . 178 GLU C0 OE2 0 -7.274108 -36.01651 11.579602 1 4672 1 +ATOM N N . LEU C0 3 179 . 179 LEU C0 N 0 -7.322698 -40.741795 15.382903 1 4673 1 +ATOM C CA . LEU C0 3 179 . 179 LEU C0 CA 0 -6.8355703 -42.063683 15.012585 1 4674 1 +ATOM C C . LEU C0 3 179 . 179 LEU C0 C 0 -7.7434673 -42.67013 13.9560795 1 4675 1 +ATOM O O . LEU C0 3 179 . 179 LEU C0 O 0 -8.971876 -42.589855 14.062773 1 4676 1 +ATOM C CB . LEU C0 3 179 . 179 LEU C0 CB 0 -6.777626 -42.96312 16.254753 1 4677 1 +ATOM C CG . LEU C0 3 179 . 179 LEU C0 CG 0 -6.193222 -44.368362 16.102474 1 4678 1 +ATOM C CD1 . LEU C0 3 179 . 179 LEU C0 CD1 0 -5.44331 -44.769714 17.358656 1 4679 1 +ATOM C CD2 . LEU C0 3 179 . 179 LEU C0 CD2 0 -7.274063 -45.397446 15.765007 1 4680 1 +ATOM N N . ASN C0 3 180 . 180 ASN C0 N 0 -7.139637 -43.252697 12.930223 1 4681 1 +ATOM C CA . ASN C0 3 180 . 180 ASN C0 CA 0 -7.881729 -43.937286 11.881555 1 4682 1 +ATOM C C . ASN C0 3 180 . 180 ASN C0 C 0 -7.347332 -45.361996 11.7338295 1 4683 1 +ATOM O O . ASN C0 3 180 . 180 ASN C0 O 0 -6.1363764 -45.56979 11.687708 1 4684 1 +ATOM C CB . ASN C0 3 180 . 180 ASN C0 CB 0 -7.761407 -43.192978 10.545805 1 4685 1 +ATOM C CG . ASN C0 3 180 . 180 ASN C0 CG 0 -8.514744 -43.892143 9.433718 1 4686 1 +ATOM O OD1 . ASN C0 3 180 . 180 ASN C0 OD1 0 -9.735954 -44.057198 9.517829 1 4687 1 +ATOM N ND2 . ASN C0 3 180 . 180 ASN C0 ND2 0 -7.8320065 -44.302303 8.396286 1 4688 1 +ATOM N N . ASP C0 3 181 . 181 ASP C0 N 0 -8.253599 -46.332138 11.685426 1 4689 1 +ATOM C CA . ASP C0 3 181 . 181 ASP C0 CA 0 -7.881658 -47.734848 11.551413 1 4690 1 +ATOM C C . ASP C0 3 181 . 181 ASP C0 C 0 -8.608788 -48.31071 10.339325 1 4691 1 +ATOM O O . ASP C0 3 181 . 181 ASP C0 O 0 -9.83968 -48.27346 10.278297 1 4692 1 +ATOM C CB . ASP C0 3 181 . 181 ASP C0 CB 0 -8.254415 -48.508656 12.8202095 1 4693 1 +ATOM C CG . ASP C0 3 181 . 181 ASP C0 CG 0 -7.66705 -49.91394 12.857145 1 4694 1 +ATOM O OD1 . ASP C0 3 181 . 181 ASP C0 OD1 0 -7.0926514 -50.36821 11.842926 1 4695 1 +ATOM O OD2 . ASP C0 3 181 . 181 ASP C0 OD2 0 -7.7779927 -50.57937 13.9142 1 4696 1 +ATOM N N . THR C0 3 182 . 182 THR C0 N 0 -7.862262 -48.834 9.37049 1 4697 1 +ATOM C CA . THR C0 3 182 . 182 THR C0 CA 0 -8.452091 -49.400436 8.162457 1 4698 1 +ATOM C C . THR C0 3 182 . 182 THR C0 C 0 -8.86913 -50.858963 8.339796 1 4699 1 +ATOM O O . THR C0 3 182 . 182 THR C0 O 0 -9.34292 -51.494354 7.3871856 1 4700 1 +ATOM C CB . THR C0 3 182 . 182 THR C0 CB 0 -7.476144 -49.29708 6.969066 1 4701 1 +ATOM O OG1 . THR C0 3 182 . 182 THR C0 OG1 0 -6.2557306 -49.955082 7.3083467 1 4702 1 +ATOM C CG2 . THR C0 3 182 . 182 THR C0 CG2 0 -7.1899953 -47.837227 6.635784 1 4703 1 +ATOM N N . ASP C0 3 183 . 183 ASP C0 N 0 -8.694875 -51.409996 9.555644 1 4704 1 +ATOM C CA . ASP C0 3 183 . 183 ASP C0 CA 0 -9.0983715 -52.78532 9.856966 1 4705 1 +ATOM C C . ASP C0 3 183 . 183 ASP C0 C 0 -10.59145 -52.928596 9.566639 1 4706 1 +ATOM O O . ASP C0 3 183 . 183 ASP C0 O 0 -11.394428 -52.11992 10.039094 1 4707 1 +ATOM C CB . ASP C0 3 183 . 183 ASP C0 CB 0 -8.8078575 -53.099415 11.32551 1 4708 1 +ATOM C CG . ASP C0 3 183 . 183 ASP C0 CG 0 -8.888945 -54.58693 11.646708 1 4709 1 +ATOM O OD1 . ASP C0 3 183 . 183 ASP C0 OD1 0 -9.672561 -55.31104 10.995895 1 4710 1 +ATOM O OD2 . ASP C0 3 183 . 183 ASP C0 OD2 0 -8.1727295 -55.03223 12.5714245 1 4711 1 +ATOM N N . SER C0 3 184 . 184 SER C0 N 0 -10.96691 -53.95317 8.780347 1 4712 1 +ATOM C CA . SER C0 3 184 . 184 SER C0 CA 0 -12.366297 -54.13894 8.407188 1 4713 1 +ATOM C C . SER C0 3 184 . 184 SER C0 C 0 -13.184938 -54.873276 9.463509 1 4714 1 +ATOM O O . SER C0 3 184 . 184 SER C0 O 0 -14.419401 -54.914093 9.366576 1 4715 1 +ATOM C CB . SER C0 3 184 . 184 SER C0 CB 0 -12.461632 -54.895733 7.0779953 1 4716 1 +ATOM O OG . SER C0 3 184 . 184 SER C0 OG 0 -11.851962 -56.17285 7.1894035 1 4717 1 +ATOM N N . SER C0 3 185 . 185 SER C0 N 0 -12.538868 -55.4728 10.475514 1 4718 1 +ATOM C CA . SER C0 3 185 . 185 SER C0 CA 0 -13.234358 -56.221146 11.513771 1 4719 1 +ATOM C C . SER C0 3 185 . 185 SER C0 C 0 -13.665285 -55.308346 12.661313 1 4720 1 +ATOM O O . SER C0 3 185 . 185 SER C0 O 0 -12.823391 -54.668827 13.295792 1 4721 1 +ATOM C CB . SER C0 3 185 . 185 SER C0 CB 0 -12.344086 -57.34036 12.0527725 1 4722 1 +ATOM O OG . SER C0 3 185 . 185 SER C0 OG 0 -12.945797 -57.978424 13.164834 1 4723 1 +ATOM N N . ALA C0 3 186 . 186 ALA C0 N 0 -14.955547 -55.294037 12.955956 1 4724 1 +ATOM C CA . ALA C0 3 186 . 186 ALA C0 CA 0 -15.475854 -54.472187 14.043116 1 4725 1 +ATOM C C . ALA C0 3 186 . 186 ALA C0 C 0 -14.940617 -54.92211 15.396327 1 4726 1 +ATOM O O . ALA C0 3 186 . 186 ALA C0 O 0 -14.851489 -54.112614 16.326702 1 4727 1 +ATOM C CB . ALA C0 3 186 . 186 ALA C0 CB 0 -17.000652 -54.511375 14.040137 1 4728 1 +ATOM N N . ALA C0 3 187 . 187 ALA C0 N 0 -14.565439 -56.1902 15.521164 1 4729 1 +ATOM C CA . ALA C0 3 187 . 187 ALA C0 CA 0 -14.075333 -56.732704 16.784733 1 4730 1 +ATOM C C . ALA C0 3 187 . 187 ALA C0 C 0 -12.635557 -56.322216 17.082703 1 4731 1 +ATOM O O . ALA C0 3 187 . 187 ALA C0 O 0 -12.218365 -56.348175 18.24046 1 4732 1 +ATOM C CB . ALA C0 3 187 . 187 ALA C0 CB 0 -14.202082 -58.259033 16.784151 1 4733 1 +ATOM N N . THR C0 3 188 . 188 THR C0 N 0 -11.858986 -55.944946 16.062775 1 4734 1 +ATOM C CA . THR C0 3 188 . 188 THR C0 CA 0 -10.458088 -55.58029 16.253819 1 4735 1 +ATOM C C . THR C0 3 188 . 188 THR C0 C 0 -10.140648 -54.14569 15.822239 1 4736 1 +ATOM O O . THR C0 3 188 . 188 THR C0 O 0 -9.040981 -53.65446 16.099064 1 4737 1 +ATOM C CB . THR C0 3 188 . 188 THR C0 CB 0 -9.537056 -56.54344 15.491928 1 4738 1 +ATOM O OG1 . THR C0 3 188 . 188 THR C0 OG1 0 -9.884695 -56.521114 14.105585 1 4739 1 +ATOM C CG2 . THR C0 3 188 . 188 THR C0 CG2 0 -9.682636 -57.973656 16.020737 1 4740 1 +ATOM N N . LYS C0 3 189 . 189 LYS C0 N 0 -11.0721 -53.494797 15.155919 1 4741 1 +ATOM C CA . LYS C0 3 189 . 189 LYS C0 CA 0 -10.846376 -52.12872 14.679571 1 4742 1 +ATOM C C . LYS C0 3 189 . 189 LYS C0 C 0 -10.70275 -51.15703 15.847324 1 4743 1 +ATOM O O . LYS C0 3 189 . 189 LYS C0 O 0 -11.55752 -51.1148 16.746777 1 4744 1 +ATOM C CB . LYS C0 3 189 . 189 LYS C0 CB 0 -12.009868 -51.68747 13.781128 1 4745 1 +ATOM C CG . LYS C0 3 189 . 189 LYS C0 CG 0 -11.860952 -50.31241 13.187584 1 4746 1 +ATOM C CD . LYS C0 3 189 . 189 LYS C0 CD 0 -13.06954 -49.954266 12.338186 1 4747 1 +ATOM C CE . LYS C0 3 189 . 189 LYS C0 CE 0 -12.951182 -48.563347 11.739883 1 4748 1 +ATOM N NZ . LYS C0 3 189 . 189 LYS C0 NZ 0 -11.887725 -48.515556 10.691201 1 4749 1 +ATOM N N . LYS C0 3 190 . 190 LYS C0 N 0 -9.616785 -50.38062 15.851317 1 4750 1 +ATOM C CA . LYS C0 3 190 . 190 LYS C0 CA 0 -9.37609 -49.376183 16.889202 1 4751 1 +ATOM C C . LYS C0 3 190 . 190 LYS C0 C 0 -10.135708 -48.098557 16.587814 1 4752 1 +ATOM O O . LYS C0 3 190 . 190 LYS C0 O 0 -10.144032 -47.634224 15.443853 1 4753 1 +ATOM C CB . LYS C0 3 190 . 190 LYS C0 CB 0 -7.882767 -49.056583 17.023087 1 4754 1 +ATOM C CG . LYS C0 3 190 . 190 LYS C0 CG 0 -7.0827723 -50.083435 17.813606 1 4755 1 +ATOM C CD . LYS C0 3 190 . 190 LYS C0 CD 0 -6.6722975 -51.252663 16.92522 1 4756 1 +ATOM C CE . LYS C0 3 190 . 190 LYS C0 CE 0 -5.722759 -52.177948 17.684063 1 4757 1 +ATOM N NZ . LYS C0 3 190 . 190 LYS C0 NZ 0 -5.353407 -53.34016 16.835598 1 4758 1 +ATOM N N . THR C0 3 191 . 191 THR C0 N 0 -10.763005 -47.529697 17.590012 1 4759 1 +ATOM C CA . THR C0 3 191 . 191 THR C0 CA 0 -11.39349 -46.221924 17.494762 1 4760 1 +ATOM C C . THR C0 3 191 . 191 THR C0 C 0 -10.8451 -45.38314 18.64309 1 4761 1 +ATOM O O . THR C0 3 191 . 191 THR C0 O 0 -10.247273 -45.90316 19.586327 1 4762 1 +ATOM C CB . THR C0 3 191 . 191 THR C0 CB 0 -12.930413 -46.303833 17.595768 1 4763 1 +ATOM O OG1 . THR C0 3 191 . 191 THR C0 OG1 0 -13.296093 -46.888775 18.839346 1 4764 1 +ATOM C CG2 . THR C0 3 191 . 191 THR C0 CG2 0 -13.509712 -47.138237 16.455181 1 4765 1 +ATOM N N . ALA C0 3 192 . 192 ALA C0 N 0 -11.000617 -44.056957 18.551071 1 4766 1 +ATOM C CA . ALA C0 3 192 . 192 ALA C0 CA 0 -10.460524 -43.2011 19.598957 1 4767 1 +ATOM C C . ALA C0 3 192 . 192 ALA C0 C 0 -11.285815 -41.932617 19.762405 1 4768 1 +ATOM O O . ALA C0 3 192 . 192 ALA C0 O 0 -11.909143 -41.461796 18.811365 1 4769 1 +ATOM C CB . ALA C0 3 192 . 192 ALA C0 CB 0 -9.012948 -42.845222 19.298683 1 4770 1 +ATOM N N . ALA C0 3 193 . 193 ALA C0 N 0 -11.280251 -41.409798 20.986956 1 4771 1 +ATOM C CA . ALA C0 3 193 . 193 ALA C0 CA 0 -11.972618 -40.17088 21.310776 1 4772 1 +ATOM C C . ALA C0 3 193 . 193 ALA C0 C 0 -10.961816 -39.195873 21.906553 1 4773 1 +ATOM O O . ALA C0 3 193 . 193 ALA C0 O 0 -10.205877 -39.554802 22.812431 1 4774 1 +ATOM C CB . ALA C0 3 193 . 193 ALA C0 CB 0 -13.110174 -40.42826 22.288052 1 4775 1 +ATOM N N . TRP C0 3 194 . 194 TRP C0 N 0 -10.964874 -37.96807 21.387764 1 4776 1 +ATOM C CA . TRP C0 3 194 . 194 TRP C0 CA 0 -10.040718 -36.941288 21.860561 1 4777 1 +ATOM C C . TRP C0 3 194 . 194 TRP C0 C 0 -10.734603 -36.016373 22.854385 1 4778 1 +ATOM O O . TRP C0 3 194 . 194 TRP C0 O 0 -11.840622 -35.524033 22.587276 1 4779 1 +ATOM C CB . TRP C0 3 194 . 194 TRP C0 CB 0 -9.505524 -36.121548 20.69097 1 4780 1 +ATOM C CG . TRP C0 3 194 . 194 TRP C0 CG 0 -8.672663 -34.942444 21.061903 1 4781 1 +ATOM C CD1 . TRP C0 3 194 . 194 TRP C0 CD1 0 -9.018866 -33.625744 20.91796 1 4782 1 +ATOM C CD2 . TRP C0 3 194 . 194 TRP C0 CD2 0 -7.3552303 -34.939056 21.620823 1 4783 1 +ATOM N NE1 . TRP C0 3 194 . 194 TRP C0 NE1 0 -7.993726 -32.81773 21.342659 1 4784 1 +ATOM C CE2 . TRP C0 3 194 . 194 TRP C0 CE2 0 -6.967296 -33.59272 21.777756 1 4785 1 +ATOM C CE3 . TRP C0 3 194 . 194 TRP C0 CE3 0 -6.4773717 -35.96669 22.004337 1 4786 1 +ATOM C CZ2 . TRP C0 3 194 . 194 TRP C0 CZ2 0 -5.72342 -33.235092 22.308073 1 4787 1 +ATOM C CZ3 . TRP C0 3 194 . 194 TRP C0 CZ3 0 -5.232602 -35.61103 22.52515 1 4788 1 +ATOM C CH2 . TRP C0 3 194 . 194 TRP C0 CH2 0 -4.8784733 -34.265232 22.668768 1 4789 1 +ATOM N N . ASN C0 3 195 . 195 ASN C0 N 0 -10.117693 -35.799465 23.996826 1 4790 1 +ATOM C CA . ASN C0 3 195 . 195 ASN C0 CA 0 -10.624109 -34.88652 25.018333 1 4791 1 +ATOM C C . ASN C0 3 195 . 195 ASN C0 C 0 -9.644921 -33.71827 25.106552 1 4792 1 +ATOM O O . ASN C0 3 195 . 195 ASN C0 O 0 -8.56069 -33.853172 25.667606 1 4793 1 +ATOM C CB . ASN C0 3 195 . 195 ASN C0 CB 0 -10.743001 -35.607162 26.36782 1 4794 1 +ATOM C CG . ASN C0 3 195 . 195 ASN C0 CG 0 -11.39406 -34.744057 27.433249 1 4795 1 +ATOM O OD1 . ASN C0 3 195 . 195 ASN C0 OD1 0 -11.223344 -33.527695 27.452213 1 4796 1 +ATOM N ND2 . ASN C0 3 195 . 195 ASN C0 ND2 0 -12.143784 -35.373047 28.336903 1 4797 1 +ATOM N N . SER C0 3 196 . 196 SER C0 N 0 -10.037983 -32.575512 24.52917 1 4798 1 +ATOM C CA . SER C0 3 196 . 196 SER C0 CA 0 -9.152305 -31.415987 24.493565 1 4799 1 +ATOM C C . SER C0 3 196 . 196 SER C0 C 0 -8.892659 -30.830887 25.874393 1 4800 1 +ATOM O O . SER C0 3 196 . 196 SER C0 O 0 -7.8540077 -30.207582 26.100382 1 4801 1 +ATOM C CB . SER C0 3 196 . 196 SER C0 CB 0 -9.731873 -30.339764 23.572245 1 4802 1 +ATOM O OG . SER C0 3 196 . 196 SER C0 OG 0 -10.996582 -29.907429 24.03947 1 4803 1 +ATOM N N . GLY C0 3 197 . 197 GLY C0 N 0 -9.829644 -31.0327 26.812687 1 4804 1 +ATOM C CA . GLY C0 3 197 . 197 GLY C0 CA 0 -9.656685 -30.506857 28.15624 1 4805 1 +ATOM C C . GLY C0 3 197 . 197 GLY C0 C 0 -8.525535 -31.166092 28.915794 1 4806 1 +ATOM O O . GLY C0 3 197 . 197 GLY C0 O 0 -7.8649898 -30.521545 29.736214 1 4807 1 +ATOM N N . THR C0 3 198 . 198 THR C0 N 0 -8.300337 -32.45864 28.652378 1 4808 1 +ATOM C CA . THR C0 3 198 . 198 THR C0 CA 0 -7.2385283 -33.20053 29.316101 1 4809 1 +ATOM C C . THR C0 3 198 . 198 THR C0 C 0 -6.117846 -33.60604 28.36425 1 4810 1 +ATOM O O . THR C0 3 198 . 198 THR C0 O 0 -5.1640844 -34.264313 28.781502 1 4811 1 +ATOM C CB . THR C0 3 198 . 198 THR C0 CB 0 -7.7978964 -34.46881 29.99364 1 4812 1 +ATOM O OG1 . THR C0 3 198 . 198 THR C0 OG1 0 -8.431889 -35.29087 29.007662 1 4813 1 +ATOM C CG2 . THR C0 3 198 . 198 THR C0 CG2 0 -8.819044 -34.11872 31.074661 1 4814 1 +ATOM N N . SER C0 3 199 . 199 SER C0 N 0 -6.240681 -33.226406 27.107391 1 4815 1 +ATOM C CA . SER C0 3 199 . 199 SER C0 CA 0 -5.264701 -33.586426 26.073532 1 4816 1 +ATOM C C . SER C0 3 199 . 199 SER C0 C 0 -5.044524 -35.09208 26.046017 1 4817 1 +ATOM O O . SER C0 3 199 . 199 SER C0 O 0 -3.9183302 -35.568073 25.976883 1 4818 1 +ATOM C CB . SER C0 3 199 . 199 SER C0 CB 0 -3.939577 -32.85627 26.311077 1 4819 1 +ATOM O OG . SER C0 3 199 . 199 SER C0 OG 0 -4.114872 -31.455458 26.264107 1 4820 1 +ATOM N N . THR C0 3 200 . 200 THR C0 N 0 -6.1549177 -35.826202 26.0955 1 4821 1 +ATOM C CA . THR C0 3 200 . 200 THR C0 CA 0 -6.104357 -37.27825 26.18145 1 4822 1 +ATOM C C . THR C0 3 200 . 200 THR C0 C 0 -6.817951 -37.939213 25.005186 1 4823 1 +ATOM O O . THR C0 3 200 . 200 THR C0 O 0 -7.941616 -37.57154 24.670292 1 4824 1 +ATOM C CB . THR C0 3 200 . 200 THR C0 CB 0 -6.7436337 -37.76909 27.492672 1 4825 1 +ATOM O OG1 . THR C0 3 200 . 200 THR C0 OG1 0 -6.046792 -37.19847 28.597404 1 4826 1 +ATOM C CG2 . THR C0 3 200 . 200 THR C0 CG2 0 -6.6879787 -39.292175 27.595263 1 4827 1 +ATOM N N . LEU C0 3 201 . 201 LEU C0 N 0 -6.1503124 -38.929764 24.409021 1 4828 1 +ATOM C CA . LEU C0 3 201 . 201 LEU C0 CA 0 -6.7444973 -39.750694 23.356236 1 4829 1 +ATOM C C . LEU C0 3 201 . 201 LEU C0 C 0 -7.0393295 -41.113983 23.96236 1 4830 1 +ATOM O O . LEU C0 3 201 . 201 LEU C0 O 0 -6.1216507 -41.821415 24.371243 1 4831 1 +ATOM C CB . LEU C0 3 201 . 201 LEU C0 CB 0 -5.7919774 -39.906414 22.169199 1 4832 1 +ATOM C CG . LEU C0 3 201 . 201 LEU C0 CG 0 -6.3880095 -40.599438 20.940077 1 4833 1 +ATOM C CD1 . LEU C0 3 201 . 201 LEU C0 CD1 0 -5.3010893 -41.17414 20.042336 1 4834 1 +ATOM C CD2 . LEU C0 3 201 . 201 LEU C0 CD2 0 -7.268695 -39.616035 20.171564 1 4835 1 +ATOM N N . THR C0 3 202 . 202 THR C0 N 0 -8.322094 -41.474663 24.033997 1 4836 1 +ATOM C CA . THR C0 3 202 . 202 THR C0 CA 0 -8.708851 -42.75464 24.603722 1 4837 1 +ATOM C C . THR C0 3 202 . 202 THR C0 C 0 -8.992743 -43.732635 23.469435 1 4838 1 +ATOM O O . THR C0 3 202 . 202 THR C0 O 0 -9.899387 -43.511696 22.662495 1 4839 1 +ATOM C CB . THR C0 3 202 . 202 THR C0 CB 0 -9.956665 -42.608902 25.494469 1 4840 1 +ATOM O OG1 . THR C0 3 202 . 202 THR C0 OG1 0 -9.660612 -41.70319 26.55637 1 4841 1 +ATOM C CG2 . THR C0 3 202 . 202 THR C0 CG2 0 -10.371503 -43.95798 26.078175 1 4842 1 +ATOM N N . ILE C0 3 203 . 203 ILE C0 N 0 -8.2147045 -44.81202 23.42138 1 4843 1 +ATOM C CA . ILE C0 3 203 . 203 ILE C0 CA 0 -8.35935 -45.810978 22.36615 1 4844 1 +ATOM C C . ILE C0 3 203 . 203 ILE C0 C 0 -9.317548 -46.907402 22.83077 1 4845 1 +ATOM O O . ILE C0 3 203 . 203 ILE C0 O 0 -9.210846 -47.399666 23.952888 1 4846 1 +ATOM C CB . ILE C0 3 203 . 203 ILE C0 CB 0 -6.9956703 -46.414597 21.984207 1 4847 1 +ATOM C CG1 . ILE C0 3 203 . 203 ILE C0 CG1 0 -6.063675 -45.306583 21.483187 1 4848 1 +ATOM C CG2 . ILE C0 3 203 . 203 ILE C0 CG2 0 -7.1595078 -47.510933 20.919113 1 4849 1 +ATOM C CD1 . ILE C0 3 203 . 203 ILE C0 CD1 0 -4.6488876 -45.77178 21.182072 1 4850 1 +ATOM N N . THR C0 3 204 . 204 THR C0 N 0 -10.233229 -47.302147 21.936592 1 4851 1 +ATOM C CA . THR C0 3 204 . 204 THR C0 CA 0 -11.243364 -48.299286 22.2467 1 4852 1 +ATOM C C . THR C0 3 204 . 204 THR C0 C 0 -11.244627 -49.40513 21.195232 1 4853 1 +ATOM O O . THR C0 3 204 . 204 THR C0 O 0 -11.094226 -49.12376 20.002432 1 4854 1 +ATOM C CB . THR C0 3 204 . 204 THR C0 CB 0 -12.636738 -47.65399 22.311005 1 4855 1 +ATOM O OG1 . THR C0 3 204 . 204 THR C0 OG1 0 -12.648341 -46.66309 23.337692 1 4856 1 +ATOM C CG2 . THR C0 3 204 . 204 THR C0 CG2 0 -13.7177515 -48.694023 22.605238 1 4857 1 +ATOM N N . VAL C0 3 205 . 205 VAL C0 N 0 -11.408459 -50.64967 21.645481 1 4858 1 +ATOM C CA . VAL C0 3 205 . 205 VAL C0 CA 0 -11.522346 -51.80091 20.757084 1 4859 1 +ATOM C C . VAL C0 3 205 . 205 VAL C0 C 0 -12.688484 -52.659847 21.247374 1 4860 1 +ATOM O O . VAL C0 3 205 . 205 VAL C0 O 0 -12.766424 -52.975586 22.428082 1 4861 1 +ATOM C CB . VAL C0 3 205 . 205 VAL C0 CB 0 -10.233583 -52.641113 20.737595 1 4862 1 +ATOM C CG1 . VAL C0 3 205 . 205 VAL C0 CG1 0 -10.413622 -53.856087 19.819487 1 4863 1 +ATOM C CG2 . VAL C0 3 205 . 205 VAL C0 CG2 0 -9.046774 -51.81021 20.289999 1 4864 1 +ATOM N N . ASN C0 3 206 . 206 ASN C0 N 0 -13.57625 -53.000317 20.365196 1 4865 1 +ATOM C CA . ASN C0 3 206 . 206 ASN C0 CA 0 -14.740456 -53.81743 20.693811 1 4866 1 +ATOM C C . ASN C0 3 206 . 206 ASN C0 C 0 -15.504972 -53.233036 21.887774 1 4867 1 +ATOM O O . ASN C0 3 206 . 206 ASN C0 O 0 -15.865593 -53.950737 22.826672 1 4868 1 +ATOM C CB . ASN C0 3 206 . 206 ASN C0 CB 0 -14.301456 -55.26033 20.974644 1 4869 1 +ATOM C CG . ASN C0 3 206 . 206 ASN C0 CG 0 -15.466516 -56.23668 20.939259 1 4870 1 +ATOM O OD1 . ASN C0 3 206 . 206 ASN C0 OD1 0 -16.486164 -55.973045 20.309671 1 4871 1 +ATOM N ND2 . ASN C0 3 206 . 206 ASN C0 ND2 0 -15.310344 -57.3789 21.604649 1 4872 1 +ATOM N N . SER C0 3 207 . 207 SER C0 N 0 -15.717737 -51.949898 21.869331 1 4873 1 +ATOM C CA . SER C0 3 207 . 207 SER C0 CA 0 -16.457806 -51.190186 22.873604 1 4874 1 +ATOM C C . SER C0 3 207 . 207 SER C0 C 0 -15.795942 -51.15358 24.24139 1 4875 1 +ATOM O O . SER C0 3 207 . 207 SER C0 O 0 -16.42889 -50.76747 25.226736 1 4876 1 +ATOM C CB . SER C0 3 207 . 207 SER C0 CB 0 -17.887253 -51.713806 23.008919 1 4877 1 +ATOM O OG . SER C0 3 207 . 207 SER C0 OG 0 -18.579872 -51.596268 21.781132 1 4878 1 +ATOM N N . LYS C0 3 208 . 208 LYS C0 N 0 -14.529168 -51.533722 24.333416 1 4879 1 +ATOM C CA . LYS C0 3 208 . 208 LYS C0 CA 0 -13.804854 -51.48475 25.596062 1 4880 1 +ATOM C C . LYS C0 3 208 . 208 LYS C0 C 0 -12.582342 -50.583225 25.465649 1 4881 1 +ATOM O O . LYS C0 3 208 . 208 LYS C0 O 0 -11.80459 -50.71927 24.520935 1 4882 1 +ATOM C CB . LYS C0 3 208 . 208 LYS C0 CB 0 -13.373278 -52.88849 26.024538 1 4883 1 +ATOM C CG . LYS C0 3 208 . 208 LYS C0 CG 0 -14.52283 -53.80974 26.413132 1 4884 1 +ATOM C CD . LYS C0 3 208 . 208 LYS C0 CD 0 -14.007056 -55.151573 26.913164 1 4885 1 +ATOM C CE . LYS C0 3 208 . 208 LYS C0 CE 0 -15.159756 -56.06304 27.334621 1 4886 1 +ATOM N NZ . LYS C0 3 208 . 208 LYS C0 NZ 0 -14.672747 -57.359337 27.828516 1 4887 1 +ATOM N N . LYS C0 3 209 . 209 LYS C0 N 0 -12.435264 -49.696655 26.43948 1 4888 1 +ATOM C CA . LYS C0 3 209 . 209 LYS C0 CA 0 -11.264751 -48.821453 26.450869 1 4889 1 +ATOM C C . LYS C0 3 209 . 209 LYS C0 C 0 -10.011612 -49.658173 26.685297 1 4890 1 +ATOM O O . LYS C0 3 209 . 209 LYS C0 O 0 -10.011472 -50.558945 27.527859 1 4891 1 +ATOM C CB . LYS C0 3 209 . 209 LYS C0 CB 0 -11.404904 -47.754204 27.542557 1 4892 1 +ATOM C CG . LYS C0 3 209 . 209 LYS C0 CG 0 -12.575176 -46.814796 27.340496 1 4893 1 +ATOM C CD . LYS C0 3 209 . 209 LYS C0 CD 0 -12.690725 -45.85884 28.520836 1 4894 1 +ATOM C CE . LYS C0 3 209 . 209 LYS C0 CE 0 -13.903965 -44.96244 28.35738 1 4895 1 +ATOM N NZ . LYS C0 3 209 . 209 LYS C0 NZ 0 -14.086688 -44.066612 29.520496 1 4896 1 +ATOM N N . THR C0 3 210 . 210 THR C0 N 0 -8.950586 -49.350197 25.942474 1 4897 1 +ATOM C CA . THR C0 3 210 . 210 THR C0 CA 0 -7.714834 -50.11121 26.082596 1 4898 1 +ATOM C C . THR C0 3 210 . 210 THR C0 C 0 -6.543956 -49.262764 26.574198 1 4899 1 +ATOM O O . THR C0 3 210 . 210 THR C0 O 0 -5.7336526 -49.743866 27.36343 1 4900 1 +ATOM C CB . THR C0 3 210 . 210 THR C0 CB 0 -7.3093157 -50.775227 24.756063 1 4901 1 +ATOM O OG1 . THR C0 3 210 . 210 THR C0 OG1 0 -7.1279364 -49.772583 23.762495 1 4902 1 +ATOM C CG2 . THR C0 3 210 . 210 THR C0 CG2 0 -8.375871 -51.758995 24.295837 1 4903 1 +ATOM N N . LYS C0 3 211 . 211 LYS C0 N 0 -6.432439 -48.02504 26.10226 1 4904 1 +ATOM C CA . LYS C0 3 211 . 211 LYS C0 CA 0 -5.3084626 -47.16485 26.485798 1 4905 1 +ATOM C C . LYS C0 3 211 . 211 LYS C0 C 0 -5.6984444 -45.694557 26.489906 1 4906 1 +ATOM O O . LYS C0 3 211 . 211 LYS C0 O 0 -6.600646 -45.27536 25.751114 1 4907 1 +ATOM C CB . LYS C0 3 211 . 211 LYS C0 CB 0 -4.130618 -47.341904 25.513077 1 4908 1 +ATOM C CG . LYS C0 3 211 . 211 LYS C0 CG 0 -3.5463326 -48.736343 25.480522 1 4909 1 +ATOM C CD . LYS C0 3 211 . 211 LYS C0 CD 0 -2.4288883 -48.82819 24.443165 1 4910 1 +ATOM C CE . LYS C0 3 211 . 211 LYS C0 CE 0 -1.8532971 -50.233112 24.365993 1 4911 1 +ATOM N NZ . LYS C0 3 211 . 211 LYS C0 NZ 0 -2.8228412 -51.17312 23.773783 1 4912 1 +ATOM N N . ASP C0 3 212 . 212 ASP C0 N 0 -4.992343 -44.92617 27.287548 1 4913 1 +ATOM C CA . ASP C0 3 212 . 212 ASP C0 CA 0 -5.076235 -43.471626 27.278152 1 4914 1 +ATOM C C . ASP C0 3 212 . 212 ASP C0 C 0 -3.7125375 -42.94036 26.869638 1 4915 1 +ATOM O O . ASP C0 3 212 . 212 ASP C0 O 0 -2.7019768 -43.275375 27.4889 1 4916 1 +ATOM C CB . ASP C0 3 212 . 212 ASP C0 CB 0 -5.433983 -42.925835 28.669027 1 4917 1 +ATOM C CG . ASP C0 3 212 . 212 ASP C0 CG 0 -6.920679 -42.757156 28.88714 1 4918 1 +ATOM O OD1 . ASP C0 3 212 . 212 ASP C0 OD1 0 -7.7067614 -43.139866 27.999355 1 4919 1 +ATOM O OD2 . ASP C0 3 212 . 212 ASP C0 OD2 0 -7.300062 -42.230255 29.957565 1 4920 1 +ATOM N N . LEU C0 3 213 . 213 LEU C0 N 0 -3.67935 -42.118637 25.831543 1 4921 1 +ATOM C CA . LEU C0 3 213 . 213 LEU C0 CA 0 -2.4568152 -41.432106 25.434162 1 4922 1 +ATOM C C . LEU C0 3 213 . 213 LEU C0 C 0 -2.6482387 -39.965683 25.8139 1 4923 1 +ATOM O O . LEU C0 3 213 . 213 LEU C0 O 0 -3.6078458 -39.32337 25.364552 1 4924 1 +ATOM C CB . LEU C0 3 213 . 213 LEU C0 CB 0 -2.2117825 -41.550915 23.926575 1 4925 1 +ATOM C CG . LEU C0 3 213 . 213 LEU C0 CG 0 -1.7830014 -42.914635 23.394093 1 4926 1 +ATOM C CD1 . LEU C0 3 213 . 213 LEU C0 CD1 0 -1.8116319 -42.90262 21.867764 1 4927 1 +ATOM C CD2 . LEU C0 3 213 . 213 LEU C0 CD2 0 -0.3916426 -43.275757 23.889961 1 4928 1 +ATOM N N . VAL C0 3 214 . 214 VAL C0 N 0 -1.7731683 -39.44816 26.654545 1 4929 1 +ATOM C CA . VAL C0 3 214 . 214 VAL C0 CA 0 -1.8766323 -38.060875 27.095438 1 4930 1 +ATOM C C . VAL C0 3 214 . 214 VAL C0 C 0 -0.7474295 -37.24665 26.472504 1 4931 1 +ATOM O O . VAL C0 3 214 . 214 VAL C0 O 0 0.42631337 -37.59043 26.61454 1 4932 1 +ATOM C CB . VAL C0 3 214 . 214 VAL C0 CB 0 -1.828155 -37.947678 28.633602 1 4933 1 +ATOM C CG1 . VAL C0 3 214 . 214 VAL C0 CG1 0 -1.9405296 -36.486897 29.05737 1 4934 1 +ATOM C CG2 . VAL C0 3 214 . 214 VAL C0 CG2 0 -2.936726 -38.779823 29.266283 1 4935 1 +ATOM N N . PHE C0 3 215 . 215 PHE C0 N 0 -1.1303806 -36.175476 25.766733 1 4936 1 +ATOM C CA . PHE C0 3 215 . 215 PHE C0 CA 0 -0.16299841 -35.287914 25.127855 1 4937 1 +ATOM C C . PHE C0 3 215 . 215 PHE C0 C 0 -0.016080925 -34.06442 26.026722 1 4938 1 +ATOM O O . PHE C0 3 215 . 215 PHE C0 O 0 -0.87329566 -33.16994 26.018293 1 4939 1 +ATOM C CB . PHE C0 3 215 . 215 PHE C0 CB 0 -0.6380765 -34.909386 23.721474 1 4940 1 +ATOM C CG . PHE C0 3 215 . 215 PHE C0 CG 0 -0.6914799 -36.08648 22.782204 1 4941 1 +ATOM C CD1 . PHE C0 3 215 . 215 PHE C0 CD1 0 -1.6952335 -37.034702 22.8893 1 4942 1 +ATOM C CD2 . PHE C0 3 215 . 215 PHE C0 CD2 0 0.2809395 -36.264153 21.809114 1 4943 1 +ATOM C CE1 . PHE C0 3 215 . 215 PHE C0 CE1 0 -1.7321346 -38.140087 22.046669 1 4944 1 +ATOM C CE2 . PHE C0 3 215 . 215 PHE C0 CE2 0 0.24152943 -37.3631 20.961163 1 4945 1 +ATOM C CZ . PHE C0 3 215 . 215 PHE C0 CZ 0 -0.7612729 -38.302597 21.078173 1 4946 1 +ATOM N N . THR C0 3 216 . 216 THR C0 N 0 1.04284 -34.011536 26.807667 1 4947 1 +ATOM C CA . THR C0 3 216 . 216 THR C0 CA 0 1.2086455 -33.014694 27.860685 1 4948 1 +ATOM C C . THR C0 3 216 . 216 THR C0 C 0 1.6275918 -31.64041 27.3315 1 4949 1 +ATOM O O . THR C0 3 216 . 216 THR C0 O 0 2.0693886 -31.495617 26.193802 1 4950 1 +ATOM C CB . THR C0 3 216 . 216 THR C0 CB 0 2.232701 -33.473476 28.91072 1 4951 1 +ATOM O OG1 . THR C0 3 216 . 216 THR C0 OG1 0 3.5456424 -33.334084 28.369497 1 4952 1 +ATOM C CG2 . THR C0 3 216 . 216 THR C0 CG2 0 1.998653 -34.92573 29.308098 1 4953 1 +ATOM N N . LYS C0 3 217 . 217 LYS C0 N 0 1.4881572 -30.646069 28.211636 1 4954 1 +ATOM C CA . LYS C0 3 217 . 217 LYS C0 CA 0 1.8688483 -29.284111 27.870281 1 4955 1 +ATOM C C . LYS C0 3 217 . 217 LYS C0 C 0 3.375696 -29.113684 27.760702 1 4956 1 +ATOM O O . LYS C0 3 217 . 217 LYS C0 O 0 3.8528633 -28.109213 27.229809 1 4957 1 +ATOM C CB . LYS C0 3 217 . 217 LYS C0 CB 0 1.2997024 -28.30433 28.91166 1 4958 1 +ATOM C CG . LYS C0 3 217 . 217 LYS C0 CG 0 1.8081362 -28.537882 30.328117 1 4959 1 +ATOM C CD . LYS C0 3 217 . 217 LYS C0 CD 0 1.1744856 -27.560204 31.302748 1 4960 1 +ATOM C CE . LYS C0 3 217 . 217 LYS C0 CE 0 1.6557177 -27.809788 32.72031 1 4961 1 +ATOM N NZ . LYS C0 3 217 . 217 LYS C0 NZ 0 1.0498972 -26.864552 33.68 1 4962 1 +ATOM N N . GLU C0 3 218 . 218 GLU C0 N 0 4.148966 -30.082394 28.264719 1 4963 1 +ATOM C CA . GLU C0 3 218 . 218 GLU C0 CA 0 5.6033254 -30.047348 28.154526 1 4964 1 +ATOM C C . GLU C0 3 218 . 218 GLU C0 C 0 6.090474 -30.85888 26.953686 1 4965 1 +ATOM O O . GLU C0 3 218 . 218 GLU C0 O 0 7.2547207 -31.225508 26.87575 1 4966 1 +ATOM C CB . GLU C0 3 218 . 218 GLU C0 CB 0 6.247575 -30.56823 29.436138 1 4967 1 +ATOM C CG . GLU C0 3 218 . 218 GLU C0 CG 0 5.996732 -29.662119 30.633987 1 4968 1 +ATOM C CD . GLU C0 3 218 . 218 GLU C0 CD 0 6.706155 -30.126686 31.885872 1 4969 1 +ATOM O OE1 . GLU C0 3 218 . 218 GLU C0 OE1 0 6.6270137 -29.417614 32.90754 1 4970 1 +ATOM O OE2 . GLU C0 3 218 . 218 GLU C0 OE2 0 7.351015 -31.191347 31.861652 1 4971 1 +ATOM N N . ASN C0 3 219 . 219 ASN C0 N 0 5.174339 -31.126072 26.02377 1 4972 1 +ATOM C CA . ASN C0 3 219 . 219 ASN C0 CA 0 5.4635186 -31.84558 24.789593 1 4973 1 +ATOM C C . ASN C0 3 219 . 219 ASN C0 C 0 6.015518 -33.245697 25.023502 1 4974 1 +ATOM O O . ASN C0 3 219 . 219 ASN C0 O 0 6.951989 -33.683296 24.36254 1 4975 1 +ATOM C CB . ASN C0 3 219 . 219 ASN C0 CB 0 6.412212 -31.027779 23.899166 1 4976 1 +ATOM C CG . ASN C0 3 219 . 219 ASN C0 CG 0 5.8151507 -29.699991 23.4999 1 4977 1 +ATOM O OD1 . ASN C0 3 219 . 219 ASN C0 OD1 0 6.3453207 -28.643257 23.838493 1 4978 1 +ATOM N ND2 . ASN C0 3 219 . 219 ASN C0 ND2 0 4.70701 -29.747238 22.78101 1 4979 1 +ATOM N N . THR C0 3 220 . 220 THR C0 N 0 5.416793 -33.937828 25.9923 1 4980 1 +ATOM C CA . THR C0 3 220 . 220 THR C0 CA 0 5.714345 -35.339752 26.229572 1 4981 1 +ATOM C C . THR C0 3 220 . 220 THR C0 C 0 4.4335613 -36.127716 26.014652 1 4982 1 +ATOM O O . THR C0 3 220 . 220 THR C0 O 0 3.330639 -35.570168 26.06502 1 4983 1 +ATOM C CB . THR C0 3 220 . 220 THR C0 CB 0 6.232808 -35.59701 27.66302 1 4984 1 +ATOM O OG1 . THR C0 3 220 . 220 THR C0 OG1 0 5.2385187 -35.20298 28.606295 1 4985 1 +ATOM C CG2 . THR C0 3 220 . 220 THR C0 CG2 0 7.5240717 -34.842484 27.926071 1 4986 1 +ATOM N N . ILE C0 3 221 . 221 ILE C0 N 0 4.568953 -37.43198 25.747112 1 4987 1 +ATOM C CA . ILE C0 3 221 . 221 ILE C0 CA 0 3.4162593 -38.2992 25.565266 1 4988 1 +ATOM C C . ILE C0 3 221 . 221 ILE C0 C 0 3.5161421 -39.42251 26.591642 1 4989 1 +ATOM O O . ILE C0 3 221 . 221 ILE C0 O 0 4.57062 -40.0325 26.745102 1 4990 1 +ATOM C CB . ILE C0 3 221 . 221 ILE C0 CB 0 3.3691115 -38.90107 24.145348 1 4991 1 +ATOM C CG1 . ILE C0 3 221 . 221 ILE C0 CG1 0 3.4509287 -37.79843 23.093117 1 4992 1 +ATOM C CG2 . ILE C0 3 221 . 221 ILE C0 CG2 0 2.102254 -39.736023 23.953733 1 4993 1 +ATOM C CD1 . ILE C0 3 221 . 221 ILE C0 CD1 0 3.6023965 -38.317833 21.664248 1 4994 1 +ATOM N N . THR C0 3 222 . 222 THR C0 N 0 2.403945 -39.679527 27.295795 1 4995 1 +ATOM C CA . THR C0 3 222 . 222 THR C0 CA 0 2.3756604 -40.77236 28.248629 1 4996 1 +ATOM C C . THR C0 3 222 . 222 THR C0 C 0 1.2906761 -41.761093 27.844078 1 4997 1 +ATOM O O . THR C0 3 222 . 222 THR C0 O 0 0.3171279 -41.39669 27.17455 1 4998 1 +ATOM C CB . THR C0 3 222 . 222 THR C0 CB 0 2.1044502 -40.28395 29.686573 1 4999 1 +ATOM O OG1 . THR C0 3 222 . 222 THR C0 OG1 0 0.7987893 -39.719475 29.757019 1 5000 1 +ATOM C CG2 . THR C0 3 222 . 222 THR C0 CG2 0 3.1329632 -39.256313 30.121864 1 5001 1 +ATOM N N . VAL C0 3 223 . 223 VAL C0 N 0 1.468346 -43.020035 28.241753 1 5002 1 +ATOM C CA . VAL C0 3 223 . 223 VAL C0 CA 0 0.48208094 -44.047974 27.936256 1 5003 1 +ATOM C C . VAL C0 3 223 . 223 VAL C0 C 0 0.1405552 -44.800392 29.218012 1 5004 1 +ATOM O O . VAL C0 3 223 . 223 VAL C0 O 0 1.0047228 -45.03605 30.063137 1 5005 1 +ATOM C CB . VAL C0 3 223 . 223 VAL C0 CB 0 0.99315035 -45.033134 26.857891 1 5006 1 +ATOM C CG1 . VAL C0 3 223 . 223 VAL C0 CG1 0 -0.10379696 -46.04123 26.486687 1 5007 1 +ATOM C CG2 . VAL C0 3 223 . 223 VAL C0 CG2 0 2.2441118 -45.757923 27.311989 1 5008 1 +ATOM N N . GLN C0 3 224 . 224 GLN C0 N 0 -1.1356556 -45.14303 29.380585 1 5009 1 +ATOM C CA . GLN C0 3 224 . 224 GLN C0 CA 0 -1.5925728 -45.91331 30.53038 1 5010 1 +ATOM C C . GLN C0 3 224 . 224 GLN C0 C 0 -2.6530247 -46.890865 30.059578 1 5011 1 +ATOM O O . GLN C0 3 224 . 224 GLN C0 O 0 -3.5161052 -46.540394 29.248787 1 5012 1 +ATOM C CB . GLN C0 3 224 . 224 GLN C0 CB 0 -2.1516273 -44.988773 31.617949 1 5013 1 +ATOM C CG . GLN C0 3 224 . 224 GLN C0 CG 0 -2.4183745 -45.708282 32.931244 1 5014 1 +ATOM C CD . GLN C0 3 224 . 224 GLN C0 CD 0 -2.7362611 -44.762753 34.07617 1 5015 1 +ATOM O OE1 . GLN C0 3 224 . 224 GLN C0 OE1 0 -2.9465003 -43.570435 33.868637 1 5016 1 +ATOM N NE2 . GLN C0 3 224 . 224 GLN C0 NE2 0 -2.772306 -45.29125 35.30319 1 5017 1 +ATOM N N . GLN C0 3 225 . 225 GLN C0 N 0 -2.5884867 -48.14168 30.580215 1 5018 1 +ATOM C CA . GLN C0 3 225 . 225 GLN C0 CA 0 -3.4948633 -49.212715 30.16378 1 5019 1 +ATOM C C . GLN C0 3 225 . 225 GLN C0 C 0 -4.754118 -49.254898 31.01114 1 5020 1 +ATOM O O . GLN C0 3 225 . 225 GLN C0 O 0 -4.7337294 -48.900864 32.188072 1 5021 1 +ATOM C CB . GLN C0 3 225 . 225 GLN C0 CB 0 -2.802795 -50.580704 30.258274 1 5022 1 +ATOM C CG . GLN C0 3 225 . 225 GLN C0 CG 0 -1.413657 -50.634712 29.650845 1 5023 1 +ATOM C CD . GLN C0 3 225 . 225 GLN C0 CD 0 -1.4173976 -50.400352 28.159815 1 5024 1 +ATOM O OE1 . GLN C0 3 225 . 225 GLN C0 OE1 0 -2.2892728 -50.899788 27.447514 1 5025 1 +ATOM N NE2 . GLN C0 3 225 . 225 GLN C0 NE2 0 -0.44832352 -49.63238 27.682945 1 5026 1 +ATOM N N . TYR C0 3 226 . 226 TYR C0 N 0 -5.856436 -49.72409 30.37405 1 5027 1 +ATOM C CA . TYR C0 3 226 . 226 TYR C0 CA 0 -7.095374 -49.975803 31.096714 1 5028 1 +ATOM C C . TYR C0 3 226 . 226 TYR C0 C 0 -7.163395 -51.446373 31.484087 1 5029 1 +ATOM O O . TYR C0 3 226 . 226 TYR C0 O 0 -6.445452 -52.288967 30.935894 1 5030 1 +ATOM C CB . TYR C0 3 226 . 226 TYR C0 CB 0 -8.317302 -49.636703 30.23498 1 5031 1 +ATOM C CG . TYR C0 3 226 . 226 TYR C0 CG 0 -8.657818 -48.166466 30.18795 1 5032 1 +ATOM C CD1 . TYR C0 3 226 . 226 TYR C0 CD1 0 -8.047922 -47.32343 29.283834 1 5033 1 +ATOM C CD2 . TYR C0 3 226 . 226 TYR C0 CD2 0 -9.6008215 -47.631245 31.049797 1 5034 1 +ATOM C CE1 . TYR C0 3 226 . 226 TYR C0 CE1 0 -8.361627 -45.983353 29.235386 1 5035 1 +ATOM C CE2 . TYR C0 3 226 . 226 TYR C0 CE2 0 -9.919391 -46.293777 31.003937 1 5036 1 +ATOM C CZ . TYR C0 3 226 . 226 TYR C0 CZ 0 -9.29851 -45.468513 30.101082 1 5037 1 +ATOM O OH . TYR C0 3 226 . 226 TYR C0 OH 0 -9.619589 -44.150787 30.063862 1 5038 1 +ATOM N N . ASP C0 3 227 . 227 ASP C0 N 0 -8.035384 -51.77407 32.458954 1 5039 1 +ATOM C CA . ASP C0 3 227 . 227 ASP C0 CA 0 -8.213863 -53.16838 32.846684 1 5040 1 +ATOM C C . ASP C0 3 227 . 227 ASP C0 C 0 -8.954679 -53.906334 31.738436 1 5041 1 +ATOM O O . ASP C0 3 227 . 227 ASP C0 O 0 -9.359493 -53.30443 30.738058 1 5042 1 +ATOM C CB . ASP C0 3 227 . 227 ASP C0 CB 0 -8.956524 -53.283424 34.18724 1 5043 1 +ATOM C CG . ASP C0 3 227 . 227 ASP C0 CG 0 -10.363725 -52.714684 34.173233 1 5044 1 +ATOM O OD1 . ASP C0 3 227 . 227 ASP C0 OD1 0 -10.848551 -52.281338 33.105682 1 5045 1 +ATOM O OD2 . ASP C0 3 227 . 227 ASP C0 OD2 0 -11.000902 -52.703835 35.25209 1 5046 1 +ATOM N N . SER C0 3 228 . 228 SER C0 N 0 -9.148598 -55.21971 31.887356 1 5047 1 +ATOM C CA . SER C0 3 228 . 228 SER C0 CA 0 -9.756278 -56.047836 30.854462 1 5048 1 +ATOM C C . SER C0 3 228 . 228 SER C0 C 0 -11.183706 -55.626675 30.523468 1 5049 1 +ATOM O O . SER C0 3 228 . 228 SER C0 O 0 -11.6544 -55.901115 29.414108 1 5050 1 +ATOM C CB . SER C0 3 228 . 228 SER C0 CB 0 -9.726622 -57.523758 31.276905 1 5051 1 +ATOM O OG . SER C0 3 228 . 228 SER C0 OG 0 -10.438644 -57.72706 32.47891 1 5052 1 +ATOM N N . ASN C0 3 229 . 229 ASN C0 N 0 -11.870118 -54.994274 31.463272 1 5053 1 +ATOM C CA . ASN C0 3 229 . 229 ASN C0 CA 0 -13.227565 -54.533546 31.228094 1 5054 1 +ATOM C C . ASN C0 3 229 . 229 ASN C0 C 0 -13.2697735 -53.122364 30.640247 1 5055 1 +ATOM O O . ASN C0 3 229 . 229 ASN C0 O 0 -14.334749 -52.64081 30.279766 1 5056 1 +ATOM C CB . ASN C0 3 229 . 229 ASN C0 CB 0 -14.044626 -54.570824 32.524727 1 5057 1 +ATOM C CG . ASN C0 3 229 . 229 ASN C0 CG 0 -14.285324 -55.977627 33.033363 1 5058 1 +ATOM O OD1 . ASN C0 3 229 . 229 ASN C0 OD1 0 -14.464119 -56.903137 32.244354 1 5059 1 +ATOM N ND2 . ASN C0 3 229 . 229 ASN C0 ND2 0 -14.293153 -56.165977 34.3483 1 5060 1 +ATOM N N . GLY C0 3 230 . 230 GLY C0 N 0 -12.121134 -52.467518 30.563251 1 5061 1 +ATOM C CA . GLY C0 3 230 . 230 GLY C0 CA 0 -12.033667 -51.11871 30.029594 1 5062 1 +ATOM C C . GLY C0 3 230 . 230 GLY C0 C 0 -12.670635 -50.065033 30.909563 1 5063 1 +ATOM O O . GLY C0 3 230 . 230 GLY C0 O 0 -13.107018 -49.02446 30.39877 1 5064 1 +ATOM N N . THR C0 3 231 . 231 THR C0 N 0 -12.72253 -50.29967 32.20716 1 5065 1 +ATOM C CA . THR C0 3 231 . 231 THR C0 CA 0 -13.371454 -49.37757 33.117107 1 5066 1 +ATOM C C . THR C0 3 231 . 231 THR C0 C 0 -12.427748 -48.712074 34.108757 1 5067 1 +ATOM O O . THR C0 3 231 . 231 THR C0 O 0 -12.797351 -47.718086 34.738106 1 5068 1 +ATOM C CB . THR C0 3 231 . 231 THR C0 CB 0 -14.489443 -50.087498 33.91455 1 5069 1 +ATOM O OG1 . THR C0 3 231 . 231 THR C0 OG1 0 -13.9340515 -51.20436 34.608215 1 5070 1 +ATOM C CG2 . THR C0 3 231 . 231 THR C0 CG2 0 -15.594719 -50.586 32.98803 1 5071 1 +ATOM N N . LYS C0 3 232 . 232 LYS C0 N 0 -11.221111 -49.241077 34.27331 1 5072 1 +ATOM C CA . LYS C0 3 232 . 232 LYS C0 CA 0 -10.269228 -48.71207 35.248203 1 5073 1 +ATOM C C . LYS C0 3 232 . 232 LYS C0 C 0 -8.856344 -48.677197 34.678825 1 5074 1 +ATOM O O . LYS C0 3 232 . 232 LYS C0 O 0 -8.421196 -49.646362 34.049824 1 5075 1 +ATOM C CB . LYS C0 3 232 . 232 LYS C0 CB 0 -10.303375 -49.563793 36.527725 1 5076 1 +ATOM C CG . LYS C0 3 232 . 232 LYS C0 CG 0 -9.28824 -49.170025 37.57811 1 5077 1 +ATOM C CD . LYS C0 3 232 . 232 LYS C0 CD 0 -9.321764 -50.153313 38.745308 1 5078 1 +ATOM C CE . LYS C0 3 232 . 232 LYS C0 CE 0 -8.223976 -49.828094 39.759533 1 5079 1 +ATOM N NZ . LYS C0 3 232 . 232 LYS C0 NZ 0 -8.193935 -50.824436 40.849323 1 5080 1 +ATOM N N . LEU C0 3 233 . 233 LEU C0 N 0 -8.166856 -47.577194 34.89927 1 5081 1 +ATOM C CA . LEU C0 3 233 . 233 LEU C0 CA 0 -6.7811375 -47.469185 34.45577 1 5082 1 +ATOM C C . LEU C0 3 233 . 233 LEU C0 C 0 -5.8866005 -48.275772 35.385426 1 5083 1 +ATOM O O . LEU C0 3 233 . 233 LEU C0 O 0 -6.02064 -48.1891 36.607956 1 5084 1 +ATOM C CB . LEU C0 3 233 . 233 LEU C0 CB 0 -6.334729 -46.002518 34.445004 1 5085 1 +ATOM C CG . LEU C0 3 233 . 233 LEU C0 CG 0 -6.936592 -45.147186 33.32528 1 5086 1 +ATOM C CD1 . LEU C0 3 233 . 233 LEU C0 CD1 0 -6.749447 -43.677612 33.630733 1 5087 1 +ATOM C CD2 . LEU C0 3 233 . 233 LEU C0 CD2 0 -6.2833147 -45.50772 31.99511 1 5088 1 +ATOM N N . GLU C0 3 234 . 234 GLU C0 N 0 -4.9832525 -49.066338 34.81288 1 5089 1 +ATOM C CA . GLU C0 3 234 . 234 GLU C0 CA 0 -4.0801535 -49.903175 35.59426 1 5090 1 +ATOM C C . GLU C0 3 234 . 234 GLU C0 C 0 -2.6841307 -49.28895 35.67878 1 5091 1 +ATOM O O . GLU C0 3 234 . 234 GLU C0 O 0 -2.1958132 -48.6941 34.713997 1 5092 1 +ATOM C CB . GLU C0 3 234 . 234 GLU C0 CB 0 -3.9684126 -51.299675 34.97176 1 5093 1 +ATOM C CG . GLU C0 3 234 . 234 GLU C0 CG 0 -5.267276 -52.076683 34.95991 1 5094 1 +ATOM C CD . GLU C0 3 234 . 234 GLU C0 CD 0 -5.0907845 -53.473328 34.388794 1 5095 1 +ATOM O OE1 . GLU C0 3 234 . 234 GLU C0 OE1 0 -5.788762 -54.398476 34.85679 1 5096 1 +ATOM O OE2 . GLU C0 3 234 . 234 GLU C0 OE2 0 -4.2536764 -53.658134 33.482437 1 5097 1 +ATOM N N . GLY C0 3 235 . 235 GLY C0 N 0 -2.0849504 -49.433273 36.83773 1 5098 1 +ATOM C CA . GLY C0 3 235 . 235 GLY C0 CA 0 -0.7306182 -48.945534 37.02413 1 5099 1 +ATOM C C . GLY C0 3 235 . 235 GLY C0 C 0 -0.5998944 -47.449127 36.915787 1 5100 1 +ATOM O O . GLY C0 3 235 . 235 GLY C0 O 0 -1.5518742 -46.70758 37.166824 1 5101 1 +ATOM N N . SER C0 3 236 . 236 SER C0 N 0 0.594017 -47.0142 36.517807 1 5102 1 +ATOM C CA . SER C0 3 236 . 236 SER C0 CA 0 0.8816564 -45.590977 36.37221 1 5103 1 +ATOM C C . SER C0 3 236 . 236 SER C0 C 0 1.1091725 -45.23314 34.918858 1 5104 1 +ATOM O O . SER C0 3 236 . 236 SER C0 O 0 1.4334509 -46.089485 34.09928 1 5105 1 +ATOM C CB . SER C0 3 236 . 236 SER C0 CB 0 2.1194983 -45.211308 37.19068 1 5106 1 +ATOM O OG . SER C0 3 236 . 236 SER C0 OG 0 1.9593985 -45.51617 38.563873 1 5107 1 +ATOM N N . ALA C0 3 237 . 237 ALA C0 N 0 0.90865207 -43.971203 34.59724 1 5108 1 +ATOM C CA . ALA C0 3 237 . 237 ALA C0 CA 0 1.1791359 -43.49073 33.251896 1 5109 1 +ATOM C C . ALA C0 3 237 . 237 ALA C0 C 0 2.6800709 -43.584106 33.005035 1 5110 1 +ATOM O O . ALA C0 3 237 . 237 ALA C0 O 0 3.4759727 -43.210052 33.865536 1 5111 1 +ATOM C CB . ALA C0 3 237 . 237 ALA C0 CB 0 0.6874629 -42.06294 33.09867 1 5112 1 +ATOM N N . VAL C0 3 238 . 238 VAL C0 N 0 3.064222 -44.083305 31.831554 1 5113 1 +ATOM C CA . VAL C0 3 238 . 238 VAL C0 CA 0 4.4724255 -44.24109 31.479528 1 5114 1 +ATOM C C . VAL C0 3 238 . 238 VAL C0 C 0 4.8162107 -43.28978 30.32894 1 5115 1 +ATOM O O . VAL C0 3 238 . 238 VAL C0 O 0 4.1189823 -43.258553 29.308 1 5116 1 +ATOM C CB . VAL C0 3 238 . 238 VAL C0 CB 0 4.7765093 -45.694447 31.067736 1 5117 1 +ATOM C CG1 . VAL C0 3 238 . 238 VAL C0 CG1 0 6.235182 -45.845695 30.665483 1 5118 1 +ATOM C CG2 . VAL C0 3 238 . 238 VAL C0 CG2 0 4.4337406 -46.654728 32.20327 1 5119 1 +ATOM N N . GLU C0 3 239 . 239 GLU C0 N 0 5.881256 -42.52025 30.503353 1 5120 1 +ATOM C CA . GLU C0 3 239 . 239 GLU C0 CA 0 6.2954483 -41.5811 29.467484 1 5121 1 +ATOM C C . GLU C0 3 239 . 239 GLU C0 C 0 6.914066 -42.32149 28.287373 1 5122 1 +ATOM O O . GLU C0 3 239 . 239 GLU C0 O 0 7.7640243 -43.185936 28.464012 1 5123 1 +ATOM C CB . GLU C0 3 239 . 239 GLU C0 CB 0 7.296538 -40.566505 30.039448 1 5124 1 +ATOM C CG . GLU C0 3 239 . 239 GLU C0 CG 0 7.770846 -39.564415 28.993116 1 5125 1 +ATOM C CD . GLU C0 3 239 . 239 GLU C0 CD 0 8.727602 -38.52689 29.535587 1 5126 1 +ATOM O OE1 . GLU C0 3 239 . 239 GLU C0 OE1 0 8.811348 -38.386177 30.778507 1 5127 1 +ATOM O OE2 . GLU C0 3 239 . 239 GLU C0 OE2 0 9.401331 -37.844284 28.74729 1 5128 1 +ATOM N N . ILE C0 3 240 . 240 ILE C0 N 0 6.467763 -41.965164 27.102448 1 5129 1 +ATOM C CA . ILE C0 3 240 . 240 ILE C0 CA 0 7.017127 -42.543808 25.8806 1 5130 1 +ATOM C C . ILE C0 3 240 . 240 ILE C0 C 0 8.316015 -41.815346 25.552204 1 5131 1 +ATOM O O . ILE C0 3 240 . 240 ILE C0 O 0 8.346542 -40.580307 25.492086 1 5132 1 +ATOM C CB . ILE C0 3 240 . 240 ILE C0 CB 0 6.0016637 -42.427483 24.723682 1 5133 1 +ATOM C CG1 . ILE C0 3 240 . 240 ILE C0 CG1 0 4.8389235 -43.396534 24.984922 1 5134 1 +ATOM C CG2 . ILE C0 3 240 . 240 ILE C0 CG2 0 6.663162 -42.703224 23.382341 1 5135 1 +ATOM C CD1 . ILE C0 3 240 . 240 ILE C0 CD1 0 3.6936245 -43.280605 23.998863 1 5136 1 +ATOM N N . THR C0 3 241 . 241 THR C0 N 0 9.400613 -42.55323 25.354027 1 5137 1 +ATOM C CA . THR C0 3 241 . 241 THR C0 CA 0 10.703851 -41.957947 25.118902 1 5138 1 +ATOM C C . THR C0 3 241 . 241 THR C0 C 0 11.281731 -42.26785 23.742641 1 5139 1 +ATOM O O . THR C0 3 241 . 241 THR C0 O 0 12.365315 -41.779243 23.414173 1 5140 1 +ATOM C CB . THR C0 3 241 . 241 THR C0 CB 0 11.717642 -42.39212 26.193005 1 5141 1 +ATOM O OG1 . THR C0 3 241 . 241 THR C0 OG1 0 11.842611 -43.81549 26.16904 1 5142 1 +ATOM C CG2 . THR C0 3 241 . 241 THR C0 CG2 0 11.256249 -41.954197 27.584442 1 5143 1 +ATOM N N . LYS C0 3 242 . 242 LYS C0 N 0 10.591713 -43.10005 22.96793 1 5144 1 +ATOM C CA . LYS C0 3 242 . 242 LYS C0 CA 0 11.039181 -43.390236 21.609215 1 5145 1 +ATOM C C . LYS C0 3 242 . 242 LYS C0 C 0 9.850397 -43.763763 20.7356 1 5146 1 +ATOM O O . LYS C0 3 242 . 242 LYS C0 O 0 8.797609 -44.166733 21.23733 1 5147 1 +ATOM C CB . LYS C0 3 242 . 242 LYS C0 CB 0 12.101072 -44.497158 21.596333 1 5148 1 +ATOM C CG . LYS C0 3 242 . 242 LYS C0 CG 0 11.694574 -45.79756 22.25293 1 5149 1 +ATOM C CD . LYS C0 3 242 . 242 LYS C0 CD 0 12.901532 -46.737663 22.311918 1 5150 1 +ATOM C CE . LYS C0 3 242 . 242 LYS C0 CE 0 12.55101 -48.038017 23.002651 1 5151 1 +ATOM N NZ . LYS C0 3 242 . 242 LYS C0 NZ 0 13.715519 -48.943558 23.055534 1 5152 1 +ATOM N N . LEU C0 3 243 . 243 LEU C0 N 0 10.028861 -43.63378 19.424837 1 5153 1 +ATOM C CA . LEU C0 3 243 . 243 LEU C0 CA 0 8.938379 -43.833466 18.472134 1 5154 1 +ATOM C C . LEU C0 3 243 . 243 LEU C0 C 0 8.335138 -45.233444 18.540928 1 5155 1 +ATOM O O . LEU C0 3 243 . 243 LEU C0 O 0 7.1187363 -45.391983 18.399054 1 5156 1 +ATOM C CB . LEU C0 3 243 . 243 LEU C0 CB 0 9.438539 -43.553905 17.046936 1 5157 1 +ATOM C CG . LEU C0 3 243 . 243 LEU C0 CG 0 8.39085 -43.570435 15.932007 1 5158 1 +ATOM C CD1 . LEU C0 3 243 . 243 LEU C0 CD1 0 9.063528 -43.3326 14.584133 1 5159 1 +ATOM C CD2 . LEU C0 3 243 . 243 LEU C0 CD2 0 7.3145247 -42.535076 16.197853 1 5160 1 +ATOM N N . ASP C0 3 244 . 244 ASP C0 N 0 9.165324 -46.25286 18.747211 1 5161 1 +ATOM C CA . ASP C0 3 244 . 244 ASP C0 CA 0 8.672205 -47.628143 18.81812 1 5162 1 +ATOM C C . ASP C0 3 244 . 244 ASP C0 C 0 7.6449065 -47.80816 19.928303 1 5163 1 +ATOM O O . ASP C0 3 244 . 244 ASP C0 O 0 6.7442007 -48.64367 19.806435 1 5164 1 +ATOM C CB . ASP C0 3 244 . 244 ASP C0 CB 0 9.834494 -48.604446 19.023483 1 5165 1 +ATOM C CG . ASP C0 3 244 . 244 ASP C0 CG 0 10.633269 -48.846004 17.75598 1 5166 1 +ATOM O OD1 . ASP C0 3 244 . 244 ASP C0 OD1 0 10.112921 -48.57808 16.652857 1 5167 1 +ATOM O OD2 . ASP C0 3 244 . 244 ASP C0 OD2 0 11.789903 -49.304565 17.869024 1 5168 1 +ATOM N N . GLU C0 3 245 . 245 GLU C0 N 0 7.7598324 -47.043938 21.008749 1 5169 1 +ATOM C CA . GLU C0 3 245 . 245 GLU C0 CA 0 6.810725 -47.14354 22.107422 1 5170 1 +ATOM C C . GLU C0 3 245 . 245 GLU C0 C 0 5.442977 -46.57136 21.728077 1 5171 1 +ATOM O O . GLU C0 3 245 . 245 GLU C0 O 0 4.424416 -47.032658 22.228958 1 5172 1 +ATOM C CB . GLU C0 3 245 . 245 GLU C0 CB 0 7.367931 -46.437675 23.351284 1 5173 1 +ATOM C CG . GLU C0 3 245 . 245 GLU C0 CG 0 8.616911 -47.11826 23.883465 1 5174 1 +ATOM C CD . GLU C0 3 245 . 245 GLU C0 CD 0 9.282904 -46.368355 25.014183 1 5175 1 +ATOM O OE1 . GLU C0 3 245 . 245 GLU C0 OE1 0 10.229151 -46.914772 25.613777 1 5176 1 +ATOM O OE2 . GLU C0 3 245 . 245 GLU C0 OE2 0 8.877857 -45.223923 25.305882 1 5177 1 +ATOM N N . ILE C0 3 246 . 246 ILE C0 N 0 5.4163303 -45.552284 20.846691 1 5178 1 +ATOM C CA . ILE C0 3 246 . 246 ILE C0 CA 0 4.1393995 -45.039024 20.354708 1 5179 1 +ATOM C C . ILE C0 3 246 . 246 ILE C0 C 0 3.4970167 -46.096046 19.467232 1 5180 1 +ATOM O O . ILE C0 3 246 . 246 ILE C0 O 0 2.3051982 -46.36831 19.572243 1 5181 1 +ATOM C CB . ILE C0 3 246 . 246 ILE C0 CB 0 4.313527 -43.72737 19.562473 1 5182 1 +ATOM C CG1 . ILE C0 3 246 . 246 ILE C0 CG1 0 4.979327 -42.658707 20.429125 1 5183 1 +ATOM C CG2 . ILE C0 3 246 . 246 ILE C0 CG2 0 2.9567976 -43.244743 19.04438 1 5184 1 +ATOM C CD1 . ILE C0 3 246 . 246 ILE C0 CD1 0 5.195753 -41.33096 19.692654 1 5185 1 +ATOM N N . LYS C0 3 247 . 247 LYS C0 N 0 4.317282 -46.703686 18.595745 1 5186 1 +ATOM C CA . LYS C0 3 247 . 247 LYS C0 CA 0 3.807332 -47.745903 17.705898 1 5187 1 +ATOM C C . LYS C0 3 247 . 247 LYS C0 C 0 3.2509813 -48.91749 18.512651 1 5188 1 +ATOM O O . LYS C0 3 247 . 247 LYS C0 O 0 2.1959472 -49.465416 18.163656 1 5189 1 +ATOM C CB . LYS C0 3 247 . 247 LYS C0 CB 0 4.9102383 -48.224937 16.752485 1 5190 1 +ATOM C CG . LYS C0 3 247 . 247 LYS C0 CG 0 5.331751 -47.175644 15.740194 1 5191 1 +ATOM C CD . LYS C0 3 247 . 247 LYS C0 CD 0 6.392214 -47.73999 14.796356 1 5192 1 +ATOM C CE . LYS C0 3 247 . 247 LYS C0 CE 0 6.776292 -46.701744 13.748854 1 5193 1 +ATOM N NZ . LYS C0 3 247 . 247 LYS C0 NZ 0 7.7970157 -47.212975 12.808542 1 5194 1 +ATOM N N . ASN C0 3 248 . 248 ASN C0 N 0 3.9304743 -49.294785 19.593315 1 5195 1 +ATOM C CA . ASN C0 3 248 . 248 ASN C0 CA 0 3.4492822 -50.378212 20.454107 1 5196 1 +ATOM C C . ASN C0 3 248 . 248 ASN C0 C 0 2.108778 -50.02237 21.085829 1 5197 1 +ATOM O O . ASN C0 3 248 . 248 ASN C0 O 0 1.2479165 -50.880764 21.241583 1 5198 1 +ATOM C CB . ASN C0 3 248 . 248 ASN C0 CB 0 4.4734545 -50.680206 21.550268 1 5199 1 +ATOM C CG . ASN C0 3 248 . 248 ASN C0 CG 0 5.6981907 -51.40013 21.021008 1 5200 1 +ATOM O OD1 . ASN C0 3 248 . 248 ASN C0 OD1 0 5.66247 -51.981335 19.943647 1 5201 1 +ATOM N ND2 . ASN C0 3 248 . 248 ASN C0 ND2 0 6.787217 -51.360703 21.781723 1 5202 1 +ATOM N N . ALA C0 3 249 . 249 ALA C0 N 0 1.9165854 -48.761948 21.434906 1 5203 1 +ATOM C CA . ALA C0 3 249 . 249 ALA C0 CA 0 0.67075944 -48.316498 22.04609 1 5204 1 +ATOM C C . ALA C0 3 249 . 249 ALA C0 C 0 -0.48200116 -48.34651 21.055567 1 5205 1 +ATOM O O . ALA C0 3 249 . 249 ALA C0 O 0 -1.6455543 -48.385025 21.470686 1 5206 1 +ATOM C CB . ALA C0 3 249 . 249 ALA C0 CB 0 0.8400635 -46.917763 22.606628 1 5207 1 +ATOM N N . LEU C0 3 250 . 250 LEU C0 N 0 -0.18300454 -48.350098 19.764153 1 5208 1 +ATOM C CA . LEU C0 3 250 . 250 LEU C0 CA 0 -1.2109368 -48.34808 18.736568 1 5209 1 +ATOM C C . LEU C0 3 250 . 250 LEU C0 C 0 -1.6013551 -49.756615 18.292675 1 5210 1 +ATOM O O . LEU C0 3 250 . 250 LEU C0 O 0 -2.57752 -49.916737 17.551916 1 5211 1 +ATOM C CB . LEU C0 3 250 . 250 LEU C0 CB 0 -0.7463515 -47.545906 17.515896 1 5212 1 +ATOM C CG . LEU C0 3 250 . 250 LEU C0 CG 0 -0.43594843 -46.072067 17.771833 1 5213 1 +ATOM C CD1 . LEU C0 3 250 . 250 LEU C0 CD1 0 0.07840939 -45.434715 16.494518 1 5214 1 +ATOM C CD2 . LEU C0 3 250 . 250 LEU C0 CD2 0 -1.6540605 -45.336716 18.29649 1 5215 1 +ATOM N N . LYS C0 3 251 . 251 LYS C0 N 0 -0.8811166 -50.77355 18.738129 1 5216 1 +ATOM C CA . LYS C0 3 251 . 251 LYS C0 CA 0 -1.1684835 -52.163063 18.366796 1 5217 1 +ATOM C C . LYS C0 3 251 . 251 LYS C0 C 0 -2.466381 -52.65793 19.005323 1 5218 1 +ATOM O O . LYS C0 3 251 . 251 LYS C0 O 0 -2.8304777 -52.222164 20.098665 1 5219 1 +ATOM C CB . LYS C0 3 251 . 251 LYS C0 CB 0 -0.026810732 -53.093086 18.781029 1 5220 1 +ATOM C CG . LYS C0 3 251 . 251 LYS C0 CG 0 1.2273571 -52.878204 17.966389 1 5221 1 +ATOM C CD . LYS C0 3 251 . 251 LYS C0 CD 0 2.3205252 -53.849655 18.431152 1 5222 1 +ATOM C CE . LYS C0 3 251 . 251 LYS C0 CE 0 3.5810814 -53.636444 17.609905 1 5223 1 +ATOM N NZ . LYS C0 3 251 . 251 LYS C0 NZ 0 4.652974 -54.513042 18.043201 1 5224 1 +ATOM O OXT . LYS C0 3 251 . 251 LYS C0 OXT 0 -3.1846457 -53.44449 18.360697 1 5225 1 +HETATM C C1 . EDO D0 4 1 . 1 EDO D0 C1 0 -7.8908014 -2.0600162 -5.6303253 1 5226 1 +HETATM O O1 . EDO D0 4 1 . 1 EDO D0 O1 0 -8.873611 -1.1230862 -5.6435003 1 5227 1 +HETATM C C2 . EDO D0 4 1 . 1 EDO D0 C2 0 -7.695476 -2.6482153 -4.2767687 1 5228 1 +HETATM O O2 . EDO D0 4 1 . 1 EDO D0 O2 0 -6.608554 -3.464851 -4.263103 1 5229 1 +HETATM C C1 . EDO E1 4 1 . 1 EDO E1 C1 0 -6.593666 13.290226 -0.8327005 1 5230 1 +HETATM O O1 . EDO E1 4 1 . 1 EDO E1 O1 0 -6.495002 12.317812 -1.7810374 1 5231 1 +HETATM C C2 . EDO E1 4 1 . 1 EDO E1 C2 0 -7.973242 13.813285 -0.73702705 1 5232 1 +HETATM O O2 . EDO E1 4 1 . 1 EDO E1 O2 0 -7.95803 15.119816 -0.3580613 1 5233 1 +HETATM C C1 . EDO F2 4 1 . 1 EDO F2 C1 0 -3.2363133 -14.68383 -17.137775 1 5234 1 +HETATM O O1 . EDO F2 4 1 . 1 EDO F2 O1 0 -3.8451715 -14.545307 -18.345488 1 5235 1 +HETATM C C2 . EDO F2 4 1 . 1 EDO F2 C2 0 -3.0991454 -16.119246 -16.764336 1 5236 1 +HETATM O O2 . EDO F2 4 1 . 1 EDO F2 O2 0 -2.4429662 -16.240696 -15.558964 1 5237 1 +HETATM C C1 . EDO G3 4 1 . 1 EDO G3 C1 0 17.829765 -2.2834277 7.4416046 1 5238 1 +HETATM O O1 . EDO G3 4 1 . 1 EDO G3 O1 0 16.62689 -2.6305275 6.898448 1 5239 1 +HETATM C C2 . EDO G3 4 1 . 1 EDO G3 C2 0 18.97237 -2.9377933 6.7221127 1 5240 1 +HETATM O O2 . EDO G3 4 1 . 1 EDO G3 O2 0 20.155739 -2.5277152 7.26078 1 5241 1 +HETATM C C1 . EDO H4 4 1 . 1 EDO H4 C1 0 -1.2346103 34.32512 3.9193473 1 5242 1 +HETATM O O1 . EDO H4 4 1 . 1 EDO H4 O1 0 -2.229625 35.056396 4.481438 1 5243 1 +HETATM C C2 . EDO H4 4 1 . 1 EDO H4 C2 0 -1.2030551 34.509926 2.434432 1 5244 1 +HETATM O O2 . EDO H4 4 1 . 1 EDO H4 O2 0 -0.3244727 33.612423 1.8571026 1 5245 1 +HETATM C C1 . EDO I5 4 1 . 1 EDO I5 C1 0 1.9118929 31.984682 -28.197403 1 5246 1 +HETATM O O1 . EDO I5 4 1 . 1 EDO I5 O1 0 1.972928 33.329414 -28.279774 1 5247 1 +HETATM C C2 . EDO I5 4 1 . 1 EDO I5 C2 0 0.6442783 31.483017 -28.783604 1 5248 1 +HETATM O O2 . EDO I5 4 1 . 1 EDO I5 O2 0 0.5118928 30.126663 -28.568167 1 5249 1 +HETATM CL CL . CL J0 5 1 . 1 CL J0 CL 0 -5.4199615 -0.26203328 -3.359941 1 5250 1 +HETATM CL CL . CL K1 5 1 . 1 CL K1 CL 0 -21.798698 17.883335 -20.426146 1 5251 1 +HETATM CL CL . CL L2 5 1 . 1 CL L2 CL 0 -1.0480196 -15.380892 -4.1118546 1 5252 1 +HETATM CL CL . CL M3 5 1 . 1 CL M3 CL 0 -3.5681262 29.372892 -9.509577 1 5253 1 +HETATM CL CL . CL N4 5 1 . 1 CL N4 CL 0 14.726049 17.455078 8.370238 1 5254 1 +HETATM CL CL . CL O5 5 1 . 1 CL O5 CL 0 -18.120039 40.022247 -15.152267 1 5255 1 +HETATM CL CL . CL P6 5 1 . 1 CL P6 CL 0 0.44856825 -0.68344367 -27.22356 1 5256 1 +# +loop_ +_entity.id +_entity.type +1 polymer +2 polymer +3 polymer +4 non-polymer +5 non-polymer +# diff --git a/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_summary_confidence_sample_0.json b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_summary_confidence_sample_0.json new file mode 100644 index 0000000000000000000000000000000000000000..c96281870d303487a3287d354d952700f5fca307 --- /dev/null +++ b/benchmarks/FoldBench/examples/outputs/prediction/Protenix/8tuz-assembly1/seed_42/predictions/8tuz-assembly1_seed_42_summary_confidence_sample_0.json @@ -0,0 +1,934 @@ +{ + "plddt": 93.0, + "gpde": 0.6462286710739136, + "ptm": 0.9301869869232178, + "iptm": 0.9174389243125916, + "chain_ptm": [ + 0.9159338474273682, + 0.9199357628822327, + 0.9348881840705872, + 0.27411097288131714, + 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+interface_protein_dna,irmsd,1.44 +interface_protein_dna,lrmsd,3.52 +interface_protein_dna,lddt,0.88 +monomer_protein,gdt-ts,0.83 +monomer_protein,tm-score,0.57 +monomer_protein,rmsd,1.75 +monomer_protein,lddt,0.74 diff --git a/benchmarks/FoldBench/examples/summary_table.csv b/benchmarks/FoldBench/examples/summary_table.csv new file mode 100644 index 0000000000000000000000000000000000000000..c0029485331361f10c623210a4efd8c7d4e72675 --- /dev/null +++ b/benchmarks/FoldBench/examples/summary_table.csv @@ -0,0 +1,12 @@ +target,metric,Protenix +interface_protein_ligand,rmsd_lddt-pli_success_rate,100.0 +interface_protein_ligand,lddt-lp,0.96 +interface_protein_ligand,lddt-pli,0.92 +interface_protein_dna,dockq_score_success_rate,100.0 +interface_protein_dna,irmsd,1.44 +interface_protein_dna,lrmsd,3.52 +interface_protein_dna,lddt,0.88 +monomer_protein,gdt-ts,0.83 +monomer_protein,tm-score,0.57 +monomer_protein,rmsd,1.75 +monomer_protein,lddt,0.74 diff --git a/benchmarks/FoldBench/examples/targets/interface_antibody_antigen.csv b/benchmarks/FoldBench/examples/targets/interface_antibody_antigen.csv new file mode 100644 index 0000000000000000000000000000000000000000..c6bee63e885ddde90c39bba17fe15185f171338d --- /dev/null +++ b/benchmarks/FoldBench/examples/targets/interface_antibody_antigen.csv @@ -0,0 +1,2 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2 +8tuz-assembly1,A,C \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/targets/interface_protein_dna.csv b/benchmarks/FoldBench/examples/targets/interface_protein_dna.csv new file mode 100644 index 0000000000000000000000000000000000000000..6df3c4f3710bcc532b6d92105667273adb310998 --- /dev/null +++ b/benchmarks/FoldBench/examples/targets/interface_protein_dna.csv @@ -0,0 +1,2 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2 +8e3r-assembly1,A,C \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/targets/interface_protein_ligand.csv b/benchmarks/FoldBench/examples/targets/interface_protein_ligand.csv new file mode 100644 index 0000000000000000000000000000000000000000..ef5e0d47fdc7d46cb3fe59253bfbb556128fe84c --- /dev/null +++ b/benchmarks/FoldBench/examples/targets/interface_protein_ligand.csv @@ -0,0 +1,2 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2 +7fwf-assembly1,A,D \ No newline at end of file diff --git a/benchmarks/FoldBench/examples/targets/monomer_protein.csv b/benchmarks/FoldBench/examples/targets/monomer_protein.csv new file mode 100644 index 0000000000000000000000000000000000000000..3d615ea3fd99b097231c925c6171c70733304b8a --- /dev/null +++ b/benchmarks/FoldBench/examples/targets/monomer_protein.csv @@ -0,0 +1,2 @@ +pdb_id,chain_id +5sbj-assembly1,A \ No newline at end of file diff --git a/benchmarks/FoldBench/run.sh b/benchmarks/FoldBench/run.sh new file mode 100644 index 0000000000000000000000000000000000000000..4fb5b9b1be1104e721129b361c9170e11c7e0e3b --- /dev/null +++ b/benchmarks/FoldBench/run.sh @@ -0,0 +1,107 @@ +# bash run.sh Protenix 1 + +#!/bin/bash +algorithm="$1" +gpu_id="$2" + +af3_input_json=./examples/alphafold3_inputs.json +targets_dir=./examples/targets +output_root_dir="./examples/outputs" +time_log_root_dir="./examples/times" +ground_truth_dir="./examples/ground_truths" +overlay_size=2048 + + +prediction_root_dir="$output_root_dir/prediction" +evaluation_root_dir="$output_root_dir/evaluation" +input_root_dir="$output_root_dir/input" +time_log_dir="$time_log_root_dir" + +recalculate=false + +while getopts ":r" opt; do + case $opt in + r) recalculate=true + ;; + \?) echo "Invalid option -$OPTARG" >&2 + ;; + esac +done +echo "Recalculate all algorithm outputs: $recalculate" + +if "$recalculate"; then + # Clean output dir + rm -rf "$prediction_root_dir" + rm -rf "$evaluation_root_dir" + rm -rf "$input_root_dir" + rm -rf "$time_log_dir" +fi + +# Create the output directory if it doesn't exist +mkdir -p "$prediction_root_dir" +mkdir -p "$evaluation_root_dir" +mkdir -p "$input_root_dir" +mkdir -p "$time_log_dir" + +# start evaluation environment +conda init +. /root/miniconda3/etc/profile.d/conda.sh +conda activate foldbench + +# Loop through each algorithm in the algorithms directory +for algorithm_dir in algorithms/*; do + + if [ -d "$algorithm_dir" ] && [ $(basename "$algorithm_dir") != "base" ]; then + algorithm_name=$(basename "$algorithm_dir") + + # If an algorithm is specified, only continue if algorithm_name matches + if [ -z "$algorithm" ] || [ "$algorithm_name" == "$algorithm" ]; then + + prediction_dir="$prediction_root_dir/${algorithm_name}" + time_log_file="$time_log_dir/${algorithm_name}_time.log" + # Check if the output file does not exist + # if [ ! -e "$prediction_dir" ]; then + if [ -e "$prediction_dir" ]; then + echo "Processing algorithm: $algorithm_name" + + input_dir="$input_root_dir/${algorithm_name}" + evaluation_dir="$evaluation_root_dir/${algorithm_name}" + + # create dirs for prediction, input, evaluation + mkdir -p "$prediction_dir" + mkdir -p "$input_dir" + mkdir -p "$evaluation_dir" + + # Remove an existing container overlay, if any + rm -rf "algorithms/${algorithm_name}/overlay.img" + # Create writable overlay for the container + apptainer overlay create --size $overlay_size --sparse "algorithms/${algorithm_name}/overlay.img" + + # Calculate predictions + echo "RUN ALGORITHM $algorithm_name" + { time ( apptainer exec --nv \ + --overlay "algorithms/${algorithm_name}/overlay.img" \ + -B $af3_input_json:/algo/alphafold3_inputs.json \ + -B $output_root_dir:/algo/outputs \ + "algorithms/${algorithm_name}/container.sif" \ + bash -c "cd /algo \ + && ./make_predictions.sh ${af3_input_json} ${input_dir} ${prediction_dir} ${evaluation_dir} ${gpu_id}" 2>&1 ); } 2> "$time_log_file" + + echo "EVALUATE PREDICTIONS" + python evaluate.py --targets_dir ${targets_dir} --prediction_dir ${prediction_dir} --evaluation_dir ${evaluation_dir} --ground_truth_dir ${ground_truth_dir} + python task_score_summary.py --algorithm_names ${algorithm_name} + + else + echo "Skipping algorithm: $algorithm_name. Output file already exists." + + # Remove an existing container overlay, if any + # FIXME: mb put this part outside if-else statement? + # Now when each dataset has separate container overlays, + # old dataset overlays must be removed if output file already exists. + rm -rf "algorithms/${algorithm_name}/overlay.img" + fi + + fi + + fi +done \ No newline at end of file diff --git a/benchmarks/FoldBench/targets/interface_antibody_antigen.csv b/benchmarks/FoldBench/targets/interface_antibody_antigen.csv new file mode 100644 index 0000000000000000000000000000000000000000..aed02607f90d234b1f149acbacc4a33c10417e8d --- /dev/null +++ b/benchmarks/FoldBench/targets/interface_antibody_antigen.csv @@ -0,0 +1,173 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2,interface_chain_type_1,interface_chain_type_2,antibody_chain,antigen_chain +8tuz-assembly1,A,C,protein,protein,A,C +8tuz-assembly1,B,C,protein,protein,B,C +7xld-assembly1,A,B,protein,protein,B,A +8xnh-assembly1,A,F,protein,protein,F,A +8bf4-assembly1,A,B,protein,protein,A,B +8up2-assembly1,A,C,protein,protein,A,C +8up2-assembly1,B,C,protein,protein,B,C +8pyr-assembly1,A,D,protein,protein,D,A +8pyr-assembly1,C,D,protein,protein,D,C +8pih-assembly1,A,B,protein,protein,B,A +8fdo-assembly1,A,C,protein,protein,A,C +8fdd-assembly1,A,C,protein,protein,A,C +8fdd-assembly1,B,C,protein,protein,B,C +7x8p-assembly1,A,C,protein,protein,C,A +7x8p-assembly1,A,B,protein,protein,B,A +8h63-assembly1,A,B,protein,protein,B,A +8ux6-assembly1,A,F,protein,protein,A,F +8ux6-assembly1,D,F,protein,protein,D,F +8w90-assembly1,A,B,protein,protein,A,B +8e0e-assembly1,A,B,protein,protein,B,A +8hxq-assembly1,A,B,protein,protein,A,B +8ido-assembly1,A,D,protein,protein,D,A +8be1-assembly1,A,C,protein,protein,A,C +7txw-assembly1,A,C,protein,protein,A,C +7txw-assembly1,B,C,protein,protein,B,C +8ahn-assembly1,A,B,protein,protein,B,A +8ahn-assembly1,A,C,protein,protein,C,A +7yv1-assembly1,A,B,protein,protein,B,A +7yv1-assembly1,A,C,protein,protein,C,A 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0000000000000000000000000000000000000000..d3319ca5ec36e941a752e0bc502550b4362f1e21 --- /dev/null +++ b/benchmarks/FoldBench/targets/interface_protein_dna.csv @@ -0,0 +1,331 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2,interface_chain_type_1,interface_chain_type_2 +8e3r-assembly1,A,C,dna,protein +8e3r-assembly1,B,C,dna,protein +8eo4-assembly1,A,C,dna,protein +8eo4-assembly1,B,C,dna,protein +8b9n-assembly1,A,B,protein,dna +8c41-assembly1,A,C,protein,dna +8c41-assembly1,A,D,protein,dna +8c41-assembly1,A,E,protein,dna +8c41-assembly1,A,F,protein,dna +8g86-assembly1,A,I,protein,dna +8g86-assembly1,A,J,protein,dna +8g86-assembly1,B,I,protein,dna +8g86-assembly1,B,J,protein,dna +8g86-assembly1,C,I,protein,dna +8g86-assembly1,C,J,protein,dna +8g86-assembly1,D,I,protein,dna +8g86-assembly1,D,J,protein,dna +8g8j-assembly1,A,B,protein,dna +8g8h-assembly1,A,C,protein,dna +8g88-assembly1,I,K,dna,protein +8g88-assembly1,J,K,dna,protein +8g8h-assembly1,A,B,protein,dna 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a/benchmarks/FoldBench/targets/interface_protein_ligand.csv b/benchmarks/FoldBench/targets/interface_protein_ligand.csv new file mode 100644 index 0000000000000000000000000000000000000000..09c270287997cd97cb9f820c9b73ff7552f6aef4 --- /dev/null +++ b/benchmarks/FoldBench/targets/interface_protein_ligand.csv @@ -0,0 +1,559 @@ +pdb_id,native_chain_id_1,native_chain_id_2,native_chain_type_1,native_chain_type_2,ligand_id +7yf2-assembly1,B-2,F-2,protein,ligand,(SAH) +7v36-assembly1,A,C,protein,ligand,(AKG) +8x3q-assembly1,D-2,L-2,protein,ligand,(UDP) +9enh-assembly1,B,O,protein,ligand,(FAD) +8uou-assembly1,A-2,C-2,protein,ligand,(ASP) +8rcw-assembly1,A,C,protein,ligand,(YQF) +7vf6-assembly1,A,E,protein,ligand,(GDP) +8yl9-assembly1,A,G,protein,ligand,(PPV) +8t8z-assembly1,A,B,protein,ligand,(ADP) +8ic7-assembly1,A,N,protein,ligand,(BXX) +8s9m-assembly1,A,B,protein,ligand,(SFG) +7x4q-assembly1,A,C,protein,ligand,(UTP) +8fmh-assembly1,A,I,protein,ligand,(4UR) 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+7fxb-assembly1,A,D,protein,ligand,(QZI) +7vsf-assembly1,A,D,protein,ligand,(7UM) +8bca-assembly1,A,C,protein,ligand,(Q96) +8gfe-assembly1,A,B,protein,ligand,(ZH8) +8pgl-assembly1,A,D,protein,ligand,(YK5) +8chj-assembly1,A,E,protein,ligand,(UQI) +8fe5-assembly1,A,E,protein,ligand,(XTT) +8f8k-assembly1,A-2,F-2,protein,ligand,(IPE) +8di4-assembly1,A,E,protein,ligand,(S9I) +8jyg-assembly1,A,C,protein,ligand,(V8R) +7prw-assembly1,A,I,protein,ligand,(82H) +8igx-assembly1,A-2,B-2,protein,ligand,(PQL) +8i6a-assembly1,A,B,protein,ligand,(ORO) +8hf8-assembly1,A,C,protein,ligand,(LOO) +7fti-assembly1,A,C,protein,ligand,(YMI) +7uet-assembly1,A,B,protein,ligand,(MXW) +8i71-assembly1,A,L,protein,ligand,(OTI) +8bo7-assembly1,A,B,protein,ligand,(QW6) +8e7r-assembly1,A,J,protein,ligand,(PAE) +7fu2-assembly1,A,C,protein,ligand,(YM9) +7fzl-assembly1,A,B,protein,ligand,(WGQ) +8g4a-assembly1,B,C,protein,ligand,(YL8) +7zi3-assembly1,A-2,B-2,protein,ligand,(J98) +8id0-assembly1,A,B,protein,ligand,(7P6) +7typ-assembly1,A,D,protein,ligand,(KUR) +8tbs-assembly1,D,V,protein,ligand,(HVI) +8bm2-assembly1,A,C,protein,ligand,(QQC) +7g02-assembly1,A,B,protein,ligand,(WIL) +8qe3-assembly1,A-2,B-2,protein,ligand,(U96) +8uoi-assembly1,A,B,protein,ligand,(X3Q) +7g0k-assembly1,A,D,protein,ligand,(UOF) +7fwp-assembly1,A,B,protein,ligand,(OT9) +7fum-assembly1,A,C,protein,ligand,(YU6) +8sv9-assembly1,A,C,protein,ligand,(WXH) +8v3k-assembly1,A,F,protein,ligand,(DPO) +7yha-assembly1,A,H,protein,ligand,(ITK) +8r11-assembly1,B,H,protein,ligand,(XI0) +8cnh-assembly1,A,B,protein,ligand,(V6U) +8wlb-assembly1,A,B,protein,ligand,(WEB) +8bdj-assembly1,C,M,protein,ligand,(QE0) +8tab-assembly1,A,E,protein,ligand,(U4T) +7oyp-assembly1,A,C,protein,ligand,(3I4) +8hy3-assembly1,A,C,protein,ligand,(4Q8) +8oyq-assembly1,A,C,protein,ligand,(W6T) +8cgc-assembly1,A,B,protein,ligand,(LMR) +8oko-assembly1,A,C,protein,ligand,(VR3) +8bit-assembly1,A,C,protein,ligand,(6R9) +8h6p-assembly1,A,C,protein,ligand,(WZU) +8ojo-assembly1,A,F,protein,ligand,(YIO) +8c3r-assembly1,A,C,protein,ligand,(R7O) +7fy5-assembly1,A,B,protein,ligand,(V4R) +7fwu-assembly1,A,B,protein,ligand,(Q0O) +8pa5-assembly1,A,D,protein,ligand,(XMZ) +8qtg-assembly1,A,B,protein,ligand,(WUQ) +7fub-assembly1,A,C,protein,ligand,(YQ3) +8abo-assembly1,A,B,protein,ligand,(231) +8p9s-assembly1,A,D,protein,ligand,(XCB) +8dbb-assembly1,C,G,protein,ligand,(R3K) +8gfh-assembly1,A,C,protein,ligand,(ZIA) +7fvu-assembly1,A,D,protein,ligand,(GFS) +8w8l-assembly1,B,R,protein,ligand,(W20) +8ph1-assembly1,A,D,protein,ligand,(YMF) +8c3u-assembly1,A,C,protein,ligand,(T9C) +8pgg-assembly1,A,D,protein,ligand,(YU3) +8bjl-assembly1,A,C,protein,ligand,(QXO) +7zsq-assembly1,B,G,protein,ligand,(JTO) +8fx3-assembly1,A,C,protein,ligand,(IMU) +8g7g-assembly1,B,G,protein,ligand,(YS8) +8pfi-assembly1,B,P,protein,ligand,(YHG) +8h7m-assembly1,A,C,protein,ligand,(WYS) +7zi9-assembly1,A,C,protein,ligand,(J6M) +8qrt-assembly1,A,E,protein,ligand,(WP2) +8tbu-assembly1,D,T,protein,ligand,(I0R) +8kht-assembly1,B,F,protein,ligand,(VY9) +5sng-assembly1,A,C,protein,ligand,(UV7) +8gfd-assembly1,A,B,protein,ligand,(ZHR) +8qka-assembly1,A-2,D-2,protein,ligand,(VTK) +8gm4-assembly1,A,D,protein,ligand,(EKI) +8s4h-assembly1,A,G,protein,ligand,(RBR) +8p04-assembly1,A,B,protein,ligand,(WAK) +8au8-assembly1,B,L,protein,ligand,(O8I) +7zcc-assembly1,B,O,protein,ligand,(OGA) +8je4-assembly1,A,D,protein,ligand,(PIS) +8bje-assembly1,A,D,protein,ligand,(WRL) +7szb-assembly1,A,E,protein,ligand,(DQ4) +8ajx-assembly1,A,C,protein,ligand,(FUM) +8av1-assembly1,B,M,protein,ligand,(O9L) +8ern-assembly1,A,C,protein,ligand,(WQK) +8cno-assembly1,A,E,protein,ligand,(STL) +7g1s-assembly1,A,D,protein,ligand,(WPU) +7zi8-assembly1,A,C,protein,ligand,(J5U) +8fux-assembly1,A,F,protein,ligand,(PXV) +8jno-assembly1,A,D,protein,ligand,(E8T) +7zsm-assembly1,A-2,B-2,protein,ligand,(JU9) +8jnc-assembly1,A,D,protein,ligand,(E5I) +8rtw-assembly1,A,E,protein,ligand,(TES) +8ihg-assembly1,C,G,protein,ligand,(2AF) +7fwy-assembly1,A,B,protein,ligand,(QBX) +8r1t-assembly1,A,D,protein,ligand,(XIJ) +8bcc-assembly1,A,C,protein,ligand,(QAU) +8uxs-assembly1,A,C,protein,ligand,(XU8) +8atl-assembly1,A,C,protein,ligand,(O6X) +8p7u-assembly1,A,E,protein,ligand,(X3T) +7zlo-assembly1,A,D,protein,ligand,(JI0) +7fu4-assembly1,A,C,protein,ligand,(YMO) +8cey-assembly1,A,D,protein,ligand,(UEF) +8grj-assembly1,B,G,protein,ligand,(LGC) +8cc4-assembly1,A,D,protein,ligand,(U7F) +8c1f-assembly1,A,R,protein,ligand,(T2O) +8ov7-assembly1,A,B,protein,ligand,(W3W) +8upv-assembly1,A-2,B-2,protein,ligand,(X83) +7z2o-assembly1,A,C,protein,ligand,(IAJ) +8b4w-assembly1,A,B,protein,ligand,(F05) +7fyc-assembly1,A,D,protein,ligand,(VJ3) +8tov-assembly1,F,R,protein,ligand,(J6U) +7uyc-assembly1,A,E,protein,ligand,(OJR) +8shj-assembly1,A,D,protein,ligand,(ZI8) +7fzo-assembly1,A,B,protein,ligand,(WH3) +8og8-assembly1,A,B,protein,ligand,(VM8) +8r4o-assembly1,A,M,protein,ligand,(XVI) +7fwo-assembly1,A,B,protein,ligand,(OM6) +8qe2-assembly1,A,B,protein,ligand,(U7X) +8u0q-assembly1,B,D,protein,ligand,(U4I) +8h29-assembly1,A-2,B-2,protein,ligand,(2BO) +7fz8-assembly1,A,B,protein,ligand,(WEI) +8bmv-assembly1,A,C,protein,ligand,(URC) +8e4z-assembly1,A,C,protein,ligand,(UKF) +8pb2-assembly1,A,D,protein,ligand,(XQ5) +8pyk-assembly1,A,B,protein,ligand,(IC2) +7fwb-assembly1,A,B,protein,ligand,(LM9) +8b8u-assembly1,A,D,protein,ligand,(T7I) +8p3d-assembly1,A,B,protein,ligand,(WS5) +8r6j-assembly1,A,C,protein,ligand,(Y7F) +7qrb-assembly1,A,G,protein,ligand,(EX9) +7g0j-assembly1,A,D,protein,ligand,(WKI) +8k7h-assembly1,A,G,protein,ligand,(VMO) +8ehp-assembly1,A,C,protein,ligand,(WJO) +8v1f-assembly1,B,O,protein,ligand,(7R8) +8eyl-assembly1,A,D,protein,ligand,(X5F) +7fuq-assembly1,A,C,protein,ligand,(YUF) +8wkg-assembly1,A,B,protein,ligand,(WDB) +8txe-assembly1,A,E,protein,ligand,(VM9) +8pd6-assembly1,A,B,protein,ligand,(YCB) +8pgx-assembly1,A,D,protein,ligand,(YKO) +8tfq-assembly1,C,E,protein,ligand,(7V7) +8aui-assembly1,A,D,protein,ligand,(O8R) +8un5-assembly1,A,G,protein,ligand,(XQ6) +8sbt-assembly1,A,C,protein,ligand,(ZUY) +8ppf-assembly1,A,D,protein,ligand,(6II) +8cm2-assembly1,A,B,protein,ligand,(V1X) +8uss-assembly1,A,B,protein,ligand,(XCW) +8k4f-assembly1,A,N,protein,ligand,(FJW) +7gi0-assembly1,B,Q,protein,ligand,(OQL) +8r6k-assembly1,A,E,protein,ligand,(Y78) +8r1n-assembly1,A,C,protein,ligand,(XIT) +8im3-assembly1,A,H,protein,ligand,(92U) +7ur9-assembly1,B,D,protein,ligand,(O5F) +7x3p-assembly1,A,B,protein,ligand,(8VG) +8k7f-assembly1,B,K,protein,ligand,(VMF) +8out-assembly1,A,B,protein,ligand,(W3C) +8jwz-assembly1,A,U,protein,ligand,(U30) +7t1d-assembly1,B,S,protein,ligand,(E7K) +8r5b-assembly1,A,C,protein,ligand,(Y32) +7sza-assembly1,A,E,protein,ligand,(DUI) +8h1y-assembly1,A-2,G-2,protein,ligand,(KPU) +8bx9-assembly1,A,C,protein,ligand,(S59) +7fxk-assembly1,A,D,protein,ligand,(S8X) +8chi-assembly1,A,C,protein,ligand,(UMR) +8son-assembly1,A,I,protein,ligand,(30Y) +8tr4-assembly1,A,C,protein,ligand,(K6C) +7th4-assembly1,B,H,protein,ligand,(FFO) +7fuo-assembly1,A,C,protein,ligand,(YUB) +8j3t-assembly1,A,C,protein,ligand,(T1F) +7fyg-assembly1,A,B,protein,ligand,(VVL) +7fyf-assembly1,A,B,protein,ligand,(VS5) +8gpz-assembly1,A,E,protein,ligand,(KC3) +8p9p-assembly1,A,D,protein,ligand,(XB4) +7g10-assembly1,A,D,protein,ligand,(WMF) +8svy-assembly1,A,H,protein,ligand,(WUC) +7udq-assembly1,A,C,protein,ligand,(MVS) +8ohv-assembly1,A,B,protein,ligand,(VP5) +8auz-assembly1,A,D,protein,ligand,(O9C) +8w4b-assembly1,A,B,protein,ligand,(STR) +8p9g-assembly1,A,B,protein,ligand,(X9K) +8p9h-assembly1,A,B,protein,ligand,(X9C) +8d3i-assembly1,B,H,protein,ligand,(1LM) +8qf9-assembly1,A,D,protein,ligand,(UHO) +8tx0-assembly1,A,C,protein,ligand,(VEU) +7fvy-assembly1,A,B,protein,ligand,(IWI) +8pgj-assembly1,A,D,protein,ligand,(YMB) +8pym-assembly1,A,B,protein,ligand,(IED) +8cqi-assembly1,A,G,protein,ligand,(VGO) +8onv-assembly1,A,F,protein,ligand,(VU6) +7zso-assembly1,A,D,protein,ligand,(JTC) +8q1a-assembly1,C-2,L-2,protein,ligand,(IO6) +8iyb-assembly1,A,E,protein,ligand,(FER) +8c1k-assembly1,A,F,protein,ligand,(T5L) +8fbq-assembly1,A,C,protein,ligand,(XOQ) +7uad-assembly1,A,B,protein,ligand,(M5R) +7ful-assembly1,A,C,protein,ligand,(YUO) +8cn2-assembly1,A,G,protein,ligand,(V60) +7fwl-assembly1,A,B,protein,ligand,(O6Q) +8fbm-assembly1,A,D,protein,ligand,(XOF) +8c0q-assembly1,A,C,protein,ligand,(SWU) +8upq-assembly1,A,H,protein,ligand,(XAI) +7g1o-assembly1,A,B,protein,ligand,(WP8) +8u8j-assembly1,A,B,protein,ligand,(WAL) +8f8e-assembly1,A,C,protein,ligand,(XJI) +7qzx-assembly1,A,C,protein,ligand,(HIL) +8okg-assembly1,A,C,protein,ligand,(VQH) +8a34-assembly1,A,C,protein,ligand,(KYI) +7gnb-assembly1,A,H,protein,ligand,(RW0) +8ckq-assembly1,A,C,protein,ligand,(UZX) +8egq-assembly1,A,C,protein,ligand,(WJK) +8cdw-assembly1,A,C,protein,ligand,(UES) +8pg6-assembly1,A,D,protein,ligand,(YSX) +7xek-assembly1,A-2,B-2,protein,ligand,(9YX) +8qtj-assembly1,A,E,protein,ligand,(WUI) +8sjk-assembly1,A,F,protein,ligand,(CFF) +7zgc-assembly1,A,B,protein,ligand,(IUO) +8p95-assembly1,A,D,protein,ligand,(XA9) +7g00-assembly1,A,Q,protein,ligand,(WII) +7uy4-assembly1,A,D,protein,ligand,(SMI) +7fyr-assembly1,A,B,protein,ligand,(W9F) +8hkb-assembly1,A,B,protein,ligand,(UB7) +8bce-assembly1,A,C,protein,ligand,(B09) +7ftp-assembly1,A,C,protein,ligand,(YQ8) +7fzi-assembly1,A,C,protein,ligand,(WG3) +8dtd-assembly1,B,E,protein,ligand,(PPF) +8oqo-assembly1,B,O,protein,ligand,(VXH) +8g35-assembly1,A,C,protein,ligand,(YJE) +8b9e-assembly1,A,D,protein,ligand,(Q7F) +7fz3-assembly1,A,B,protein,ligand,(WDO) +7zqr-assembly1,A,F,protein,ligand,(JK9) +8ug3-assembly1,A,C,protein,ligand,(WRE) +8gkf-assembly1,A,J,protein,ligand,(D16) +7fwe-assembly1,A,B,protein,ligand,(MF9) +7fxn-assembly1,A,B,protein,ligand,(SUX) +8pyi-assembly1,A,I,protein,ligand,(IER) +8jq4-assembly1,D,Q,protein,ligand,(RM4) +8qk9-assembly1,A,D,protein,ligand,(VQ9) +8u2d-assembly1,A,B,protein,ligand,(UQX) +8cjk-assembly1,A,C,protein,ligand,(UVU) +8ivu-assembly1,B,I,protein,ligand,(SJ6) +8pgc-assembly1,A,D,protein,ligand,(YSB) +8a3a-assembly1,A,B,protein,ligand,(KYR) +8fau-assembly1,A,B,protein,ligand,(Y3E) +8t9v-assembly1,A,B,protein,ligand,(ZJT) +7fw3-assembly1,A,B,protein,ligand,(KL3) +8co7-assembly1,A,B,protein,ligand,(V9E) +8ba3-assembly1,A,B,protein,ligand,(Q8U) +7x6t-assembly1,A,B,protein,ligand,(97F) +8txg-assembly1,A,D,protein,ligand,(VQT) +8fv2-assembly1,A,F,protein,ligand,(JHL) +8pgr-assembly1,A,E,protein,ligand,(YJZ) +8eym-assembly1,B,E,protein,ligand,(16G) +7fyo-assembly1,A,B,protein,ligand,(W90) +8p9k-assembly1,A,C,protein,ligand,(X9U) +8aem-assembly1,A,H,protein,ligand,(LVF) +8c1e-assembly1,A,B,protein,ligand,(T0X) +7fw1-assembly1,A,D,protein,ligand,(K7C) +7fz0-assembly1,A,E,protein,ligand,(WBR) +8bc8-assembly1,A,C,protein,ligand,(QB6) +8qtk-assembly1,A,E,protein,ligand,(WX9) +8qa8-assembly1,A,L,protein,ligand,(CTP) +8p9t-assembly1,A,D,protein,ligand,(XCQ) +8f7v-assembly1,A,C,protein,ligand,(EUA) +8txh-assembly1,A,E,protein,ligand,(VR5) +7fwr-assembly1,A,B,protein,ligand,(P6X) +8f7u-assembly1,A,C,protein,ligand,(GGI) +8okp-assembly1,A,C,protein,ligand,(VQW) +8rak-assembly1,A,D,protein,ligand,(YMH) +8c72-assembly1,A,D,protein,ligand,(TW0) +7fxr-assembly1,A,B,protein,ligand,(TQO) +8p08-assembly1,A,B,protein,ligand,(WAZ) +7fxf-assembly1,A,B,protein,ligand,(R9O) +8jbo-assembly1,A,C,protein,ligand,(IFM) +8ime-assembly1,B,E,protein,ligand,(0XE) +8ppi-assembly1,A,C,protein,ligand,(69I) +8eut-assembly1,A,C,protein,ligand,(WV5) +8ja9-assembly1,A,H,protein,ligand,(TY6) +8agq-assembly1,A-2,C-2,protein,ligand,(M5O) +8ai3-assembly1,A,E,protein,ligand,(SAM) +8a0t-assembly1,A,C,protein,ligand,(KLO) +9bbh-assembly1,A,E,protein,ligand,(VVP) +7vro-assembly1,B,H,protein,ligand,(37T) +8y58-assembly1,A,B,protein,ligand,(PMZ) +8kh3-assembly1,A,B,protein,ligand,(VWF) +8usr-assembly1,B,F,protein,ligand,(XCE) +8uv0-assembly1,A,B,protein,ligand,(XKU) +7yl1-assembly1,A,B,protein,ligand,(J6F) +7fzj-assembly1,A,B,protein,ligand,(WGL) +7zw8-assembly1,A,B,protein,ligand,(K3R) +8jfd-assembly1,A,E,protein,ligand,(U8Y) +8bo3-assembly1,A,B,protein,ligand,(QV3) +7u9i-assembly1,A,C,protein,ligand,(44T) +7fug-assembly1,A,D,protein,ligand,(YP8) +7fxq-assembly1,A,B,protein,ligand,(TK6) +8ous-assembly1,A,B,protein,ligand,(W3I) +8wdq-assembly1,B,M,protein,ligand,(IPD) +7eka-assembly1,A,B,protein,ligand,(EGT) +8flv-assembly1,A,B,protein,ligand,(ZB9) +8p92-assembly1,A,D,protein,ligand,(XB0) +8pg9-assembly1,A,D,protein,ligand,(YV8) +8fny-assembly1,A,F,protein,ligand,(ADP) diff --git a/benchmarks/FoldBench/targets/interface_protein_peptide.csv b/benchmarks/FoldBench/targets/interface_protein_peptide.csv new file mode 100644 index 0000000000000000000000000000000000000000..6e0937a122922f1443a569b123457459deaf5d2d --- /dev/null +++ b/benchmarks/FoldBench/targets/interface_protein_peptide.csv @@ -0,0 +1,52 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2,interface_chain_type_1,interface_chain_type_2 +8v3r-assembly1,A,B,protein,peptide +8v3q-assembly1,A,B,protein,peptide +8v3o-assembly1,A,B,protein,peptide +8i84-assembly1,B,C,protein,peptide +8i82-assembly1,B,C,protein,peptide +8i89-assembly1,B,C,protein,peptide +7r5i-assembly1,A,D,protein,peptide +7ykd-assembly1,A,B,peptide,protein +8bvf-assembly1,A,D,protein,peptide +8jgf-assembly1,E,F,peptide,protein +8jgg-assembly1,B,F,peptide,protein +8agy-assembly1,A,B,protein,peptide +8zlz-assembly1,B,C,protein,peptide +8j5u-assembly1,A,B,protein,peptide +8qlv-assembly1,A,B,peptide,protein +8qlm-assembly1,A,C,protein,peptide +8qlg-assembly1,A,B,protein,peptide +8qlk-assembly1,A,B,protein,peptide +8fsq-assembly1,A,B,protein,peptide +8fsr-assembly1,A,B,protein,peptide +8qm0-assembly1,A,E,protein,peptide +8brh-assembly1,A,B,protein,peptide 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+8arn-assembly1,A,C,protein,peptide +8are-assembly1,A,B,protein,peptide diff --git a/benchmarks/FoldBench/targets/interface_protein_protein.csv b/benchmarks/FoldBench/targets/interface_protein_protein.csv new file mode 100644 index 0000000000000000000000000000000000000000..d71377119b7d16604c035d64c987b35e2cbc3d04 --- /dev/null +++ b/benchmarks/FoldBench/targets/interface_protein_protein.csv @@ -0,0 +1,280 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2,interface_chain_type_1,interface_chain_type_2 +8wmt-assembly1,A,A-2,protein,protein +8osw-assembly1,A,B,protein,protein +8ji7-assembly1,A,B,protein,protein +7xpt-assembly1,A,A-2,protein,protein +7xpi-assembly1,A,A-2,protein,protein +7ztw-assembly1,A,B,protein,protein +7zhf-assembly1,A,A-2,protein,protein +9c68-assembly1,A,B,protein,protein +7y0l-assembly1,A,B,protein,protein +8i82-assembly1,A,B,protein,protein +8jmq-assembly1,A,B,protein,protein +8whi-assembly1,A,C,protein,protein +8whi-assembly1,B,C,protein,protein 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0000000000000000000000000000000000000000..3553305cf7623736671af7ef7a6bdd08d81babaf --- /dev/null +++ b/benchmarks/FoldBench/targets/interface_protein_rna.csv @@ -0,0 +1,71 @@ +pdb_id,interface_chain_id_1,interface_chain_id_2,interface_chain_type_1,interface_chain_type_2 +8iyq-assembly1,A,C,protein,rna +8joz-assembly1,A,B,protein,rna +9c69-assembly1,A,C,protein,rna +9c68-assembly1,A,C,protein,rna +9f37-assembly1,A,E,protein,rna +9f37-assembly1,B,E,protein,rna +8r0s-assembly1,A,B,protein,rna +8pnp-assembly1,A,D,protein,rna +8pnp-assembly1,B,D,protein,rna +8pnp-assembly1,C,D,protein,rna +8gxb-assembly1,A,C,rna,protein +8xc1-assembly1,A,B,protein,rna +8xc1-assembly1,A,C,protein,rna +8bh9-assembly1,A,B,protein,rna +8dp3-assembly1,A,C,protein,rna +8dp3-assembly1,B,C,protein,rna +8q42-assembly1,A,D,protein,rna +8tg4-assembly1,A,B,protein,rna +8thq-assembly1,A,B,protein,rna +8pso-assembly1,A,D,protein,rna +8pso-assembly1,B,D,protein,rna +8pso-assembly1,C,E,protein,rna 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+8twh-assembly1,A +8gzm-assembly1,A +8gzj-assembly1,A +8gzk-assembly1,A +8gzl-assembly1,A +8d79-assembly1,A +8d78-assembly1,A diff --git a/benchmarks/FoldBench/targets/monomer_protein.csv b/benchmarks/FoldBench/targets/monomer_protein.csv new file mode 100644 index 0000000000000000000000000000000000000000..a6bc0613103c996d88dee4b03f189c24a14f54e4 --- /dev/null +++ b/benchmarks/FoldBench/targets/monomer_protein.csv @@ -0,0 +1,335 @@ +pdb_id,chain_id +5sbj-assembly1,A +7pv5-assembly1,A +7qp5-assembly1,A +7qsj-assembly1,A +7t9r-assembly1,A +7tlh-assembly1,A +7tjb-assembly1,A +7uba-assembly1,A +7uk8-assembly1,A +7ur2-assembly1,A +7ur7-assembly1,A +7urp-assembly1,A +7uvg-assembly1,A +7uww-assembly1,A +7v3o-assembly1,A +7w15-assembly1,A +7y3h-assembly1,A +7wz5-assembly1,A +7wzm-assembly1,A +7x4p-assembly1,A +7x3h-assembly1,A +7x8l-assembly1,A +7xcd-assembly1,A +7xg9-assembly1,A +7xi5-assembly1,A +7xp9-assembly1,A +8ycm-assembly1,A +7xq4-assembly1,A +7xrx-assembly1,A +7xjr-assembly1,A 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+7wia-assembly1,A +8xzr-assembly1,A +7sxp-assembly1,A +9g7c-assembly1,A +7zj4-assembly1,A +8utg-assembly1,A diff --git a/benchmarks/FoldBench/task_score_summary.py b/benchmarks/FoldBench/task_score_summary.py new file mode 100644 index 0000000000000000000000000000000000000000..ae4ba39dc24e400bb5310c53984aa8ec7f3dbf6a --- /dev/null +++ b/benchmarks/FoldBench/task_score_summary.py @@ -0,0 +1,281 @@ +import pandas as pd +import os +import glob +import argparse + +metric_max = ['dockq_score','lddt-lp','lddt-pli','gdt-ts','tm-score','lddt'] +metric_min = ['irmsd','lrmsd','rmsd'] + +target_metrics_summary = {} +target_metrics_summary['interface_protein_ligand'] = {'rmsd_lddt-pli_success_rate': [], 'lddt-lp': [], 'lddt-pli': []} +target_metrics_summary['interface_protein_protein'] = {'dockq_score_success_rate': [], 'irmsd': [], 'lrmsd': [], 'lddt': []} +target_metrics_summary['interface_antibody_antigen'] = {'dockq_score_success_rate': [], 'irmsd': [], 'lrmsd': [], 'lddt': []} +target_metrics_summary['interface_protein_dna'] = {'dockq_score_success_rate': [], 'irmsd': [], 'lrmsd': [], 'lddt': []} +target_metrics_summary['interface_protein_rna'] = {'dockq_score_success_rate': [], 'irmsd': [], 'lrmsd': [], 'lddt': []} +target_metrics_summary['interface_protein_peptide'] = {'dockq_score_success_rate': [], 'irmsd': [], 'lrmsd': [], 'lddt': []} +target_metrics_summary['monomer_protein'] = {'gdt-ts': [], 'tm-score': [], 'rmsd': [], 'lddt': []} +target_metrics_summary['monomer_dna'] = {'gdt-ts': [], 'tm-score': [], 'rmsd': [], 'lddt': []} +target_metrics_summary['monomer_rna'] = {'gdt-ts': [], 'tm-score': [], 'rmsd': [], 'lddt': []} + + +def change_column_name(df): + if 'native_chain_id_1' in df.columns and 'native_chain_id_2' in df.columns: + df.rename(columns={'native_chain_id_1': 'interface_chain_id_1', 'native_chain_id_2': 'interface_chain_id_2'}, inplace=True) + return df + +def find_overlap_sample(df, ref_df): + + if 'interface_chain_id_1' in df.columns and 'interface_chain_id_2' in df.columns: + df_tuples = list(zip(df['pdb_id'], + df['interface_chain_id_1'], + df['interface_chain_id_2'])) + + + ref_df_tuples = list(zip(ref_df['pdb_id'], + ref_df['interface_chain_id_1'], + ref_df['interface_chain_id_2'])) + else: + df_tuples = list(zip(df['pdb_id'])) + ref_df_tuples = list(zip(ref_df['pdb_id'])) + + + + common_tuples = set(df_tuples).intersection(set(ref_df_tuples)) + + + if 'interface_chain_id_1' in df.columns and 'interface_chain_id_2' in df.columns: + mask = [tuple(row) in common_tuples for row in df[['pdb_id', 'interface_chain_id_1', 'interface_chain_id_2']].values] + else: + mask = [tuple(row) in common_tuples for row in df[['pdb_id']].values] + + + df = df[mask] + return df + +# Get best prediction for each target +def get_best_rows(df, metric, metric_type): + if metric_type == 'rank': + if 'interface_chain_id_1' in df.columns and 'interface_chain_id_2' in df.columns: + best_rows = df.loc[df.groupby(["pdb_id","interface_chain_id_1","interface_chain_id_2"])['ranking_score'].idxmax()] + else: + best_rows = df.loc[df.groupby(["pdb_id"])['ranking_score'].idxmax()] + elif metric_type == 'best': + if metric in metric_max: + if 'interface_chain_id_1' in df.columns and 'interface_chain_id_2' in df.columns: + best_rows = df.loc[df.groupby(["pdb_id","interface_chain_id_1","interface_chain_id_2"])[metric].idxmax()] + else: + best_rows = df.loc[df.groupby(["pdb_id"])[metric].idxmax()] + elif metric in metric_min: + if 'interface_chain_id_1' in df.columns and 'interface_chain_id_2' in df.columns: + best_rows = df.loc[df.groupby(["pdb_id","interface_chain_id_1","interface_chain_id_2"])[metric].idxmin()] + else: + best_rows = df.loc[df.groupby(["pdb_id"])[metric].idxmin()] + return best_rows + +def calculate_success_rate(df, metric, metric_type): + """ + Calculate success rate based on a metric and threshold. + + Args: + df (pd.DataFrame): Input dataframe + threshold (float): Threshold value for success + Returns: + float: Success rate + """ + + + + if metric == 'dockq_score': + df=df[df[metric].notna()] + best_rows = get_best_rows(df, metric,metric_type) + + success_rate = (len(best_rows[best_rows[metric] >= 0.23])/len(best_rows))*100 + + elif metric == 'rmsd': + df=df[df[metric].notna()] + best_rows = get_best_rows(df, metric,metric_type) + success_rate = (len(best_rows[best_rows[metric] < 2.0])/len(best_rows))*100 + elif metric == 'rmsd_lddt-pli': + df=df[df['rmsd'].notna() & df['lddt-pli'].notna()] + # use rmsd to select best by default + best_rows = get_best_rows(df, 'rmsd',metric_type) + success_rate = (len(best_rows[(best_rows['rmsd']<2.0) & (best_rows['lddt-pli']>0.8)])/len(best_rows))*100 + + return success_rate + + +def calculate_score_avg(df, metric, metric_type): + """ + Calculate success rate based on a metric and threshold. + + Args: + df (pd.DataFrame): Input dataframe + threshold (float): Threshold value for success + Returns: + float: Success rate + """ + + df=df[df[metric].notna()] + best_rows = get_best_rows(df, metric,metric_type) + avg_score = best_rows[metric].mean() + + + + return avg_score + +def process_csv_files(evaluation_dir,target_dir,output_path,models,targets,metric_type): + + results = {} + + # Process interface files + for model in models: + results[model] = {} + + for target in targets: + result_path = os.path.join(evaluation_dir,model,'raw',f"{target}_ost.csv") + # + if not os.path.exists(result_path): + print(f'{result_path} not found') + continue + target_path = os.path.join(target_dir, f"{target}.csv") + + result_df = pd.read_csv(result_path) + result_df = change_column_name(result_df) + + target_df = pd.read_csv(target_path) + target_df = change_column_name(target_df) + print(f'{target} num: {len(target_df)}') + + result_df = find_overlap_sample(result_df,target_df) + + results[model][target] = {} + + # Process pp interface: dockq success_rate,irmsd,lrmsd,lddt + if target in ["interface_protein_protein", "interface_protein_peptide", "interface_antibody_antigen","interface_protein_dna", "interface_protein_rna"]: + + results[model][target]['lddt'] = calculate_score_avg(result_df, 'lddt',metric_type) + + + if target in ["interface_protein_dna", "interface_protein_rna"]: + if os.path.exists(os.path.join(evaluation_dir,model,'raw', f"{target}_dockqv2.csv")): + result_path_dockqv2 = os.path.join(evaluation_dir,model,'raw', f"{target}_dockqv2.csv") + result_df_dockqv2 = pd.read_csv(result_path_dockqv2) + result_df_dockqv2 = change_column_name(result_df_dockqv2) + result_df_dockqv2 = find_overlap_sample(result_df_dockqv2,target_df) + results[model][target]['dockq_score_success_rate'] = calculate_success_rate(result_df_dockqv2, 'dockq_score',metric_type) + results[model][target]['irmsd'] = calculate_score_avg(result_df_dockqv2, 'irmsd',metric_type) + results[model][target]['lrmsd'] = calculate_score_avg(result_df_dockqv2, 'lrmsd',metric_type) + else: + results[model][target]['dockq_score_success_rate'] = calculate_success_rate(result_df, 'dockq_score',metric_type) + results[model][target]['irmsd'] = calculate_score_avg(result_df, 'irmsd',metric_type) + results[model][target]['lrmsd'] = calculate_score_avg(result_df, 'lrmsd',metric_type) + + # Process pl interface: rmsd_lddt-pli success_rate,lddt-lp,lddt-pli + elif target in ["interface_protein_ligand"]: + results[model][target]['rmsd_lddt-pli_success_rate'] = calculate_success_rate(result_df, 'rmsd_lddt-pli',metric_type) + results[model][target]['lddt-lp'] = calculate_score_avg(result_df, 'lddt-lp',metric_type) + results[model][target]['lddt-pli'] = calculate_score_avg(result_df, 'lddt-pli',metric_type) + + # Process monomer: gdt_ts,tm-score,rmsd,lddt + elif target in ["monomer_dna", "monomer_rna", "monomer_protein"]: + if 'gdt_ts' in result_df.columns: + results[model][target]['gdt-ts'] = calculate_score_avg(result_df, 'gdt_ts',metric_type) + elif 'gdt-ts' in result_df.columns: + results[model][target]['gdt-ts'] = calculate_score_avg(result_df, 'gdt-ts',metric_type) + if 'tm-score' in result_df.columns: + results[model][target]['tm-score'] = calculate_score_avg(result_df, 'tm-score',metric_type) + elif 'tm_score' in result_df.columns: + results[model][target]['tm-score'] = calculate_score_avg(result_df, 'tm_score',metric_type) + + results[model][target]['rmsd'] = calculate_score_avg(result_df, 'rmsd',metric_type) + results[model][target]['lddt'] = calculate_score_avg(result_df, 'lddt',metric_type) + + return results + +if __name__ == "__main__": + + parser = argparse.ArgumentParser() + parser.add_argument( + "--evaluation_dir", required=False, default='./examples/outputs/evaluation', help="The dir with the evaluation files.", + ) + parser.add_argument( + "--target_dir", required=False, default='./examples/targets', help="The dir with the target files.", + ) + parser.add_argument( + "--output_path", required=False, default='./examples/outputs/summary_table.csv', help="output path", + ) + parser.add_argument( + "--algorithm_names", required=False, default= ['Protenix'], nargs='+', help="models to evaluate", + ) + parser.add_argument( + "--targets", required=False, default= ["interface_protein_ligand","interface_antibody_antigen","interface_protein_dna", "monomer_protein"], nargs='+', help="targets to evaluate.", + ) + parser.add_argument( + "--metric_type", required=False, default= "rank", help="rank or best", + ) + args = parser.parse_args() + results = process_csv_files(args.evaluation_dir,args.target_dir,args.output_path,args.algorithm_names,args.targets,args.metric_type) + + for target in args.targets: + for metric in target_metrics_summary[target].keys(): + for model in args.algorithm_names: + + if target not in results[model].keys(): + print(f'{model}: {target} not found') + continue + if metric in results[model][target].keys(): + target_metrics_summary[target][metric].append(results[model][target][metric]) + else: + target_metrics_summary[target][metric].append(None) + + # Create a DataFrame with models as columns + df_wide = pd.DataFrame() + for target in target_metrics_summary.keys(): + for metric in target_metrics_summary[target].keys(): + row_data = { + 'target': target, + 'metric': metric + } + # Add model values as columns + for i, model in enumerate(args.algorithm_names): + if i < len(target_metrics_summary[target][metric]) and target_metrics_summary[target][metric][i] is not None: + row_data[model] = round(target_metrics_summary[target][metric][i],2) + else: + row_data[model] = None + if row_data[model] is not None: + df_wide = pd.concat([df_wide, pd.DataFrame([row_data])], ignore_index=True) + + # Save the wide format DataFrame + df_wide.to_csv(args.output_path, index=False) + + # Print the table in a nicely formatted way + print("\nResults Summary:") + print("=" * 80) + + # Group by target and print each group + for target in df_wide['target'].unique(): + print(f"\n{target.upper()}") + print("-" * 80) + + # Get rows for this target + target_df = df_wide[df_wide['target'] == target] + + # Print header + header = "Metric".ljust(20) + for model in args.algorithm_names: + header += f"{model}".rjust(15) + print(header) + print("-" * 80) + + # Print each metric row + for _, row in target_df.iterrows(): + metric_str = str(row['metric']).ljust(20) + for model in args.algorithm_names: + value = row[model] + if pd.isna(value): + metric_str += "N/A".rjust(15) + else: + metric_str += f"{value:.2f}".rjust(15) + print(metric_str) + + print("\n" + "=" * 80) diff --git a/benchmarks/README b/benchmarks/README new file mode 100644 index 0000000000000000000000000000000000000000..f128bc8b238b2d4aad98772f29834a172f9844b5 --- /dev/null +++ b/benchmarks/README @@ -0,0 +1,2 @@ +Repo was cloned on 20260304 +Ground truth cifs were from 20250520 (downloaded via google drive link)